smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH2+]C[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001497082878 893600696 /nfs/dbraw/zinc/60/06/96/893600696.db2.gz ZHNPUENEPSTSTD-JTQLQIEISA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001192940424 884071269 /nfs/dbraw/zinc/07/12/69/884071269.db2.gz LFPRGBRJZFGJML-YNEHKIRRSA-N 1 0 282.340 -1.024 20 30 CAEDRO C=CCOC[C@H](O)CN[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245980949 884079065 /nfs/dbraw/zinc/07/90/65/884079065.db2.gz DRWUZXCRUSBSGL-SCVCMEIPSA-N 1 0 255.318 -1.282 20 30 CAEDRO C=CCOC[C@H](O)CN[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245980945 884079560 /nfs/dbraw/zinc/07/95/60/884079560.db2.gz DRWUZXCRUSBSGL-CKYFFXLPSA-N 1 0 255.318 -1.282 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCc1cn[nH]n1 ZINC001268319824 884091422 /nfs/dbraw/zinc/09/14/22/884091422.db2.gz AQXVQLGPIFDWAL-NSHDSACASA-N 1 0 265.317 -1.173 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001268301249 884090681 /nfs/dbraw/zinc/09/06/81/884090681.db2.gz LJBOBCCAIXKPRY-LLVKDONJSA-N 1 0 280.328 -1.250 20 30 CAEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)CNC(=O)NC ZINC001278093402 884105405 /nfs/dbraw/zinc/10/54/05/884105405.db2.gz JTNDRXRYPJUVGW-SNVBAGLBSA-N 1 0 272.349 -1.052 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001278093480 884105999 /nfs/dbraw/zinc/10/59/99/884105999.db2.gz LJZZYKTZTDHNMA-NSHDSACASA-N 1 0 277.328 -1.145 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001278855566 884108288 /nfs/dbraw/zinc/10/82/88/884108288.db2.gz RULITDYZRITELS-NSHDSACASA-N 1 0 280.332 -1.553 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001268324423 884093729 /nfs/dbraw/zinc/09/37/29/884093729.db2.gz SIAZCRWJZWNGLE-SECBINFHSA-N 1 0 266.301 -1.171 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CCOCC1 ZINC001317241475 884178088 /nfs/dbraw/zinc/17/80/88/884178088.db2.gz SQEUFQLWFQATSV-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001317226142 884179573 /nfs/dbraw/zinc/17/95/73/884179573.db2.gz CDOYLINYJVPAAQ-QWRGUYRKSA-N 1 0 285.344 -1.202 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001317247340 884183219 /nfs/dbraw/zinc/18/32/19/884183219.db2.gz KIROHCWJHSFTLT-VIFPVBQESA-N 1 0 282.344 -1.658 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)CCCS(N)(=O)=O ZINC001317458795 884199885 /nfs/dbraw/zinc/19/98/85/884199885.db2.gz GNFLPHPHZHBMCJ-UHFFFAOYSA-N 1 0 261.347 -1.264 20 30 CAEDRO C=CCOCC[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001317457877 884203987 /nfs/dbraw/zinc/20/39/87/884203987.db2.gz FWSQVAYPMOCQGI-JTQLQIEISA-N 1 0 270.333 -1.082 20 30 CAEDRO C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C(N)=O ZINC001317506511 884210942 /nfs/dbraw/zinc/21/09/42/884210942.db2.gz AQRHBARRYPEGKT-VIFPVBQESA-N 1 0 268.317 -1.646 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1n[nH]cc1F ZINC001317633730 884229377 /nfs/dbraw/zinc/22/93/77/884229377.db2.gz QVHCGJOLIXXJEK-UHFFFAOYSA-N 1 0 281.291 -1.040 20 30 CAEDRO CC[C@@H](CNC(=O)CNC(=O)NC)[NH2+]CC(=O)NCC#N ZINC001318531490 884285300 /nfs/dbraw/zinc/28/53/00/884285300.db2.gz UGIUBGUOCUXSDQ-VIFPVBQESA-N 1 0 298.347 -1.960 20 30 CAEDRO CC[C@H](CNC(=O)CNC(=O)NC)[NH2+]CC(=O)NCC#N ZINC001318531489 884286981 /nfs/dbraw/zinc/28/69/81/884286981.db2.gz UGIUBGUOCUXSDQ-SECBINFHSA-N 1 0 298.347 -1.960 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001319197911 884315775 /nfs/dbraw/zinc/31/57/75/884315775.db2.gz XXSHHVWJLFFBPE-JTQLQIEISA-N 1 0 275.374 -1.099 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001319587760 884344224 /nfs/dbraw/zinc/34/42/24/884344224.db2.gz AFXMDYLJMRCNRD-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001319587759 884344243 /nfs/dbraw/zinc/34/42/43/884344243.db2.gz AFXMDYLJMRCNRD-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CCOCC1 ZINC001320190605 884380557 /nfs/dbraw/zinc/38/05/57/884380557.db2.gz ZFHCGXFMDVJGJD-GFCCVEGCSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O ZINC001320187477 884381882 /nfs/dbraw/zinc/38/18/82/884381882.db2.gz OMHBEVHSDNMBBY-JTQLQIEISA-N 1 0 253.302 -1.691 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001320202964 884385041 /nfs/dbraw/zinc/38/50/41/884385041.db2.gz LJGONHRRVLBUKH-QWRGUYRKSA-N 1 0 283.328 -2.161 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cocn1 ZINC001320206017 884389810 /nfs/dbraw/zinc/38/98/10/884389810.db2.gz XAPZBHMFRZJSHP-VIFPVBQESA-N 1 0 282.300 -1.343 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cscn1 ZINC001320205970 884392968 /nfs/dbraw/zinc/39/29/68/884392968.db2.gz WEFPIMSKNSMSFO-SECBINFHSA-N 1 0 296.352 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cscn1 ZINC001320205975 884393006 /nfs/dbraw/zinc/39/30/06/884393006.db2.gz WEFPIMSKNSMSFO-VIFPVBQESA-N 1 0 296.352 -1.427 20 30 CAEDRO C=CCCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001320204180 884385223 /nfs/dbraw/zinc/38/52/23/884385223.db2.gz OMKLFGPLLAKGQT-GFCCVEGCSA-N 1 0 299.371 -1.122 20 30 CAEDRO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001320199863 884385722 /nfs/dbraw/zinc/38/57/22/884385722.db2.gz CFYLAURMJIXRSD-WCBMZHEXSA-N 1 0 266.301 -1.053 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001320215946 884389675 /nfs/dbraw/zinc/38/96/75/884389675.db2.gz ICZMQPPAHAKSAE-GHMZBOCLSA-N 1 0 265.313 -1.645 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001320215855 884389706 /nfs/dbraw/zinc/38/97/06/884389706.db2.gz HNRMATCJSHPIMC-GFCCVEGCSA-N 1 0 279.340 -1.255 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001320242992 884397730 /nfs/dbraw/zinc/39/77/30/884397730.db2.gz QOZINFZIXYSNCA-NEPJUHHUSA-N 1 0 269.345 -1.593 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)CNC(C)=O ZINC001320285926 884407261 /nfs/dbraw/zinc/40/72/61/884407261.db2.gz GQKFQNXRUHCQLP-NSHDSACASA-N 1 0 269.345 -1.151 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1nccc1C ZINC001320281848 884408113 /nfs/dbraw/zinc/40/81/13/884408113.db2.gz DILDXRFNYRPQCR-NSHDSACASA-N 1 0 250.302 -1.109 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001320296633 884410801 /nfs/dbraw/zinc/41/08/01/884410801.db2.gz UMHVCMCHGMDNNL-SECBINFHSA-N 1 0 253.306 -1.010 20 30 CAEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC#N)C1 ZINC001320296510 884411372 /nfs/dbraw/zinc/41/13/72/884411372.db2.gz RSTXPMYQWJVSPF-WDEREUQCSA-N 1 0 254.334 -1.082 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001320319145 884413329 /nfs/dbraw/zinc/41/33/29/884413329.db2.gz XXVUAJIYSGOXCD-MNOVXSKESA-N 1 0 269.345 -1.166 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001320304138 884414901 /nfs/dbraw/zinc/41/49/01/884414901.db2.gz PRNAJMVCPABIMI-IUCAKERBSA-N 1 0 284.316 -1.773 20 30 CAEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001320468013 884423020 /nfs/dbraw/zinc/42/30/20/884423020.db2.gz HTVNDRVZFBFDRS-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO CNC(=O)NCC(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321533211 884500356 /nfs/dbraw/zinc/50/03/56/884500356.db2.gz RYGURZYXXYPBFC-SNVBAGLBSA-N 1 0 270.333 -1.341 20 30 CAEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CNC(=O)N1 ZINC001321218515 884478624 /nfs/dbraw/zinc/47/86/24/884478624.db2.gz AGGLTIUGYQWPBB-QUCGXOGASA-N 1 0 280.328 -1.420 20 30 CAEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CNC(=O)N1 ZINC001321218517 884478653 /nfs/dbraw/zinc/47/86/53/884478653.db2.gz AGGLTIUGYQWPBB-VUDBWIFFSA-N 1 0 280.328 -1.420 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001321714262 884514163 /nfs/dbraw/zinc/51/41/63/884514163.db2.gz WNOMCQXPVPSKBZ-ZJUUUORDSA-N 1 0 282.344 -1.339 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](CC)NC(C)=O ZINC001321992839 884532800 /nfs/dbraw/zinc/53/28/00/884532800.db2.gz XPBYXOVIWJALRC-JQWIXIFHSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001322102233 884537759 /nfs/dbraw/zinc/53/77/59/884537759.db2.gz BVXCUDXECHVHQJ-SNVBAGLBSA-N 1 0 282.344 -1.692 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001322285551 884544942 /nfs/dbraw/zinc/54/49/42/884544942.db2.gz NRWSHZAQGZWLAC-JTQLQIEISA-N 1 0 279.344 -1.040 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001323629278 884628649 /nfs/dbraw/zinc/62/86/49/884628649.db2.gz UQZYEENAPRDVIO-VIFPVBQESA-N 1 0 263.297 -1.089 20 30 CAEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC(=O)NCC#N ZINC001324446124 884672157 /nfs/dbraw/zinc/67/21/57/884672157.db2.gz ISNRRGLWFGOKSS-NSHDSACASA-N 1 0 296.375 -1.439 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)C(N)=O)CCOCC1 ZINC001325016973 884701858 /nfs/dbraw/zinc/70/18/58/884701858.db2.gz GDGIVAXCFLPLGQ-UHFFFAOYSA-N 1 0 253.302 -1.250 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001325086346 884704742 /nfs/dbraw/zinc/70/47/42/884704742.db2.gz OOCAVVCVQZGWCL-LBPRGKRZSA-N 1 0 255.318 -1.009 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001325084828 884705351 /nfs/dbraw/zinc/70/53/51/884705351.db2.gz YRPCSVWPOKCLQF-LBPRGKRZSA-N 1 0 263.301 -1.385 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001325112947 884712320 /nfs/dbraw/zinc/71/23/20/884712320.db2.gz DGVSTKGIZWQURV-GXFFZTMASA-N 1 0 267.329 -1.316 20 30 CAEDRO C#CCN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001325190715 884718589 /nfs/dbraw/zinc/71/85/89/884718589.db2.gz VPZJLDRKISVYQC-NSHDSACASA-N 1 0 251.330 -1.123 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)CNC(=O)OC ZINC001325984547 884754164 /nfs/dbraw/zinc/75/41/64/884754164.db2.gz UENLDLMYAALOLT-UHFFFAOYSA-N 1 0 271.317 -1.224 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1 ZINC001325990443 884755719 /nfs/dbraw/zinc/75/57/19/884755719.db2.gz RPWIKVWUOHAWDR-GFCCVEGCSA-N 1 0 297.355 -1.675 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1nnn(C)c1C ZINC001325997482 884756157 /nfs/dbraw/zinc/75/61/57/884756157.db2.gz PUKOMXAIEMKRDB-UHFFFAOYSA-N 1 0 265.317 -1.219 20 30 CAEDRO CC1(C)NC(=O)N(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001326304945 884780419 /nfs/dbraw/zinc/78/04/19/884780419.db2.gz CJIQYQGNJGVOAT-SFYZADRCSA-N 1 0 279.300 -1.455 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCO1 ZINC001326991349 884854902 /nfs/dbraw/zinc/85/49/02/884854902.db2.gz QNZVCRPQBSUIII-WDEREUQCSA-N 1 0 288.369 -1.130 20 30 CAEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001327834182 884933899 /nfs/dbraw/zinc/93/38/99/884933899.db2.gz INRODQYMCGUNSA-SNVBAGLBSA-N 1 0 281.360 -1.185 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001328155516 884953213 /nfs/dbraw/zinc/95/32/13/884953213.db2.gz ILNBOPRALKVCBX-LLVKDONJSA-N 1 0 279.340 -1.159 20 30 CAEDRO CC#CCN(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC001330214768 885182658 /nfs/dbraw/zinc/18/26/58/885182658.db2.gz MWLRRKVQTRKKRK-UHFFFAOYSA-N 1 0 255.318 -1.098 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCOCC[NH2+]C ZINC001330201551 885183422 /nfs/dbraw/zinc/18/34/22/885183422.db2.gz UPAWBBKTTHXKJC-LBPRGKRZSA-N 1 0 297.355 -1.459 20 30 CAEDRO COCCNC(=O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC001330583625 885205116 /nfs/dbraw/zinc/20/51/16/885205116.db2.gz BCBARMWLTBBTOU-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001331469016 885278051 /nfs/dbraw/zinc/27/80/51/885278051.db2.gz GMODDCZCUVUANK-BDAKNGLRSA-N 1 0 266.301 -1.346 20 30 CAEDRO C[C@@H](CN(C)C(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)NCC#N ZINC001331545993 885286604 /nfs/dbraw/zinc/28/66/04/885286604.db2.gz WKIFDSWBWRGZHV-VIFPVBQESA-N 1 0 295.343 -1.672 20 30 CAEDRO CC#CCCNC(=O)C(=O)NCCOCC[NH2+]C ZINC001331604288 885292082 /nfs/dbraw/zinc/29/20/82/885292082.db2.gz AZBQZMXYUMHZQE-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)COC ZINC001331661763 885299638 /nfs/dbraw/zinc/29/96/38/885299638.db2.gz DOHGCNXQQLVNDT-VHSXEESVSA-N 1 0 271.317 -2.163 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN1CCCC1=O ZINC001331670445 885302553 /nfs/dbraw/zinc/30/25/53/885302553.db2.gz YSTDFJYKQGWWMT-SNVBAGLBSA-N 1 0 253.302 -1.691 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc[nH]1 ZINC001331664333 885305022 /nfs/dbraw/zinc/30/50/22/885305022.db2.gz IANOVKBECVXEJS-JTQLQIEISA-N 1 0 280.328 -1.003 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001331699224 885316043 /nfs/dbraw/zinc/31/60/43/885316043.db2.gz ZGUVCLLTUAADAR-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnsn1 ZINC001331680408 885307354 /nfs/dbraw/zinc/30/73/54/885307354.db2.gz CPKJMKXZTZZDNI-SECBINFHSA-N 1 0 284.341 -1.132 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001331738036 885327921 /nfs/dbraw/zinc/32/79/21/885327921.db2.gz FGQDRSYDZUKCNC-SECBINFHSA-N 1 0 264.285 -1.114 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001331826933 885353237 /nfs/dbraw/zinc/35/32/37/885353237.db2.gz VTMBESXNEOZLIH-VIFPVBQESA-N 1 0 264.285 -1.201 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001331836063 885354655 /nfs/dbraw/zinc/35/46/55/885354655.db2.gz OHUHZHFNBDTQSS-CYBMUJFWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccnc1C(N)=O ZINC001331835317 885355526 /nfs/dbraw/zinc/35/55/26/885355526.db2.gz LOWPOOWMYWTYOC-VIFPVBQESA-N 1 0 276.296 -1.506 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001332553767 885420675 /nfs/dbraw/zinc/42/06/75/885420675.db2.gz XUCUJZZQQIXPMY-GHMZBOCLSA-N 1 0 282.344 -1.558 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001332560535 885420742 /nfs/dbraw/zinc/42/07/42/885420742.db2.gz JRNLMLSLIJIGHE-WYUUTHIRSA-N 1 0 252.314 -1.079 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CC(=O)NCC ZINC001332505047 885415676 /nfs/dbraw/zinc/41/56/76/885415676.db2.gz QQIBOZLLFSQCJI-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C(=O)NC)CCC1 ZINC001332592641 885424647 /nfs/dbraw/zinc/42/46/47/885424647.db2.gz SPZLKBAKNNTVNW-NSHDSACASA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001332676833 885432122 /nfs/dbraw/zinc/43/21/22/885432122.db2.gz FLSQXUKWXORXMK-SNVBAGLBSA-N 1 0 272.349 -1.018 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001333082458 885457080 /nfs/dbraw/zinc/45/70/80/885457080.db2.gz OVKFXPPXCLYUQZ-UHFFFAOYSA-N 1 0 294.355 -1.549 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)CCOCC[NH2+]CC(N)=O ZINC001333204648 885464478 /nfs/dbraw/zinc/46/44/78/885464478.db2.gz BLCSNCXCABEHMC-VIFPVBQESA-N 1 0 256.306 -1.304 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001333258620 885467116 /nfs/dbraw/zinc/46/71/16/885467116.db2.gz LESNWQKNZDUXDG-UHFFFAOYSA-N 1 0 295.339 -1.263 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333442553 885479617 /nfs/dbraw/zinc/47/96/17/885479617.db2.gz VWZQCSGPMZVSFT-OUAUKWLOSA-N 1 0 265.313 -1.300 20 30 CAEDRO CN1CC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001334447828 885545693 /nfs/dbraw/zinc/54/56/93/885545693.db2.gz DYRKKBBVOLMWNX-UWVGGRQHSA-N 1 0 266.301 -1.442 20 30 CAEDRO CC#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001335304761 885610606 /nfs/dbraw/zinc/61/06/06/885610606.db2.gz TYWUTHSUWQIAOP-LLVKDONJSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCOCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001335559210 885624603 /nfs/dbraw/zinc/62/46/03/885624603.db2.gz VWMGBOMOGOWSDM-UHFFFAOYSA-N 1 0 254.334 -1.159 20 30 CAEDRO CN1CCO[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001340134276 885793358 /nfs/dbraw/zinc/79/33/58/885793358.db2.gz OTAYJQLEKANSQR-HRDYMLBCSA-N 1 0 252.274 -1.929 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCC(=O)N1CCN(C)CC1 ZINC001340041502 885788814 /nfs/dbraw/zinc/78/88/14/885788814.db2.gz LDYIIKWLHCDHOP-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C#CC[NH2+]CC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC001340864590 885816395 /nfs/dbraw/zinc/81/63/95/885816395.db2.gz IYXDGJSYHPFMQB-UHFFFAOYSA-N 1 0 280.372 -1.122 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CSCC(=O)N1 ZINC001341644450 885848474 /nfs/dbraw/zinc/84/84/74/885848474.db2.gz SQFFGMFLRGEHCW-CSMHCCOUSA-N 1 0 254.315 -1.554 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001342068143 885868144 /nfs/dbraw/zinc/86/81/44/885868144.db2.gz PAZITIVPIXBFOX-LLVKDONJSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CCNCC(=O)NCC(=O)NCCN1CCOCC1 ZINC001343407938 885915403 /nfs/dbraw/zinc/91/54/03/885915403.db2.gz QUSHOGDVFGURHT-UHFFFAOYSA-N 1 0 282.344 -2.226 20 30 CAEDRO CN1CC(=O)N(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001346047383 885984293 /nfs/dbraw/zinc/98/42/93/885984293.db2.gz RSYLVFNVWOAAEV-SFYZADRCSA-N 1 0 265.273 -1.892 20 30 CAEDRO N#CCNC(=O)CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC001346508068 886006959 /nfs/dbraw/zinc/00/69/59/886006959.db2.gz ZHXSGPNEFFEBOZ-RXMQYKEDSA-N 1 0 267.211 -1.185 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001348322355 886071719 /nfs/dbraw/zinc/07/17/19/886071719.db2.gz XRYCMFFNVXSXPT-SECBINFHSA-N 1 0 289.357 -1.819 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C[NH3+] ZINC001350964745 886193790 /nfs/dbraw/zinc/19/37/90/886193790.db2.gz MHAUPJGDQOKZQJ-MXWKQRLJSA-N 1 0 280.328 -1.209 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001353187058 886268419 /nfs/dbraw/zinc/26/84/19/886268419.db2.gz DVSGLSPVDMYJHM-QWRGUYRKSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001353278542 886272950 /nfs/dbraw/zinc/27/29/50/886272950.db2.gz SNVLFFWDOJALHH-UHFFFAOYSA-N 1 0 287.385 -1.554 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)C(=O)OCC)CC1 ZINC001357510105 886409594 /nfs/dbraw/zinc/40/95/94/886409594.db2.gz ZBRFTKQTVNHYKU-UHFFFAOYSA-N 1 0 281.312 -1.557 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001401490064 889139425 /nfs/dbraw/zinc/13/94/25/889139425.db2.gz GPEIMWBJBASTCW-WDEREUQCSA-N 1 0 298.343 -1.928 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC000987195903 884008232 /nfs/dbraw/zinc/00/82/32/884008232.db2.gz KFGMAIUITOUPCG-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001047334005 884019749 /nfs/dbraw/zinc/01/97/49/884019749.db2.gz VOOHTRJGTXRIMC-IHRRRGAJSA-N 1 0 295.383 -1.156 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329702 884028488 /nfs/dbraw/zinc/02/84/88/884028488.db2.gz RVVJECLAGWKYAQ-ZJUUUORDSA-N 1 0 264.289 -2.142 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439880 884031722 /nfs/dbraw/zinc/03/17/22/884031722.db2.gz RYLHHJUFCYLVAS-BBBLOLIVSA-N 1 0 269.301 -1.168 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698700 884032067 /nfs/dbraw/zinc/03/20/67/884032067.db2.gz SPPUZERCLUZGCB-MXWKQRLJSA-N 1 0 265.313 -1.693 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114361907 884042506 /nfs/dbraw/zinc/04/25/06/884042506.db2.gz WGNRXQHWZYTFCD-IAZYJMLFSA-N 1 0 285.369 -1.443 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745927 884046253 /nfs/dbraw/zinc/04/62/53/884046253.db2.gz ISDJKSATMRAOAG-KXNHARMFSA-N 1 0 294.355 -1.083 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745998 884046761 /nfs/dbraw/zinc/04/67/61/884046761.db2.gz JUWMZONEIROKDJ-KXNHARMFSA-N 1 0 292.339 -1.636 20 30 CAEDRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001126668075 884055093 /nfs/dbraw/zinc/05/50/93/884055093.db2.gz VLXCTJPISRTTMG-UHFFFAOYSA-N 1 0 265.277 -2.226 20 30 CAEDRO CCn1ccnc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126413614 884056748 /nfs/dbraw/zinc/05/67/48/884056748.db2.gz KHDRBCXMFFDUPO-UHFFFAOYSA-N 1 0 278.316 -1.138 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126658415 884056867 /nfs/dbraw/zinc/05/68/67/884056867.db2.gz PWOPVNJWJGFMDH-VIFPVBQESA-N 1 0 280.332 -1.175 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126667732 884057494 /nfs/dbraw/zinc/05/74/94/884057494.db2.gz RAVRVIPMQVJPHK-UHFFFAOYSA-N 1 0 266.305 -1.563 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn2c(n1)CCC2 ZINC001127633664 884058153 /nfs/dbraw/zinc/05/81/53/884058153.db2.gz XKXVVLLWSDTYQY-UHFFFAOYSA-N 1 0 289.339 -1.102 20 30 CAEDRO COc1nc(C(=O)N(C)CC[NH2+]CC(=O)NCC#N)co1 ZINC001266789109 884088111 /nfs/dbraw/zinc/08/81/11/884088111.db2.gz OBHMSYRECRMMNS-UHFFFAOYSA-N 1 0 295.299 -1.015 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001266800079 884088789 /nfs/dbraw/zinc/08/87/89/884088789.db2.gz MHYXKUNLQPKKLA-GHMZBOCLSA-N 1 0 296.371 -1.152 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001266778409 884088894 /nfs/dbraw/zinc/08/88/94/884088894.db2.gz MVOCZZMURJFYOK-NSHDSACASA-N 1 0 296.371 -1.008 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268324104 884090144 /nfs/dbraw/zinc/09/01/44/884090144.db2.gz LXGPQRSVQIOTST-MNOVXSKESA-N 1 0 298.343 -2.544 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268323994 884090503 /nfs/dbraw/zinc/09/05/03/884090503.db2.gz QHUNKBOFVAQMIE-GARJFASQSA-N 1 0 283.328 -1.891 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=CCCC1 ZINC001268302087 884090810 /nfs/dbraw/zinc/09/08/10/884090810.db2.gz PJPVSOOLLFJTJI-LLVKDONJSA-N 1 0 280.328 -1.197 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268300452 884091943 /nfs/dbraw/zinc/09/19/43/884091943.db2.gz UOJFMPHJILAEJW-DTWKUNHWSA-N 1 0 277.346 -1.743 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)NC(C)=O ZINC001268319984 884092256 /nfs/dbraw/zinc/09/22/56/884092256.db2.gz DDWRKJFNTNOMSF-NEPJUHHUSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268324105 884092325 /nfs/dbraw/zinc/09/23/25/884092325.db2.gz LXGPQRSVQIOTST-QWRGUYRKSA-N 1 0 298.343 -2.544 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268323995 884092432 /nfs/dbraw/zinc/09/24/32/884092432.db2.gz QHUNKBOFVAQMIE-OUAUKWLOSA-N 1 0 283.328 -1.891 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O ZINC001268321104 884092805 /nfs/dbraw/zinc/09/28/05/884092805.db2.gz FZFFOKDZJAMHKX-ZETCQYMHSA-N 1 0 256.262 -3.712 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)NC(C)=O ZINC001268319987 884093366 /nfs/dbraw/zinc/09/33/66/884093366.db2.gz DDWRKJFNTNOMSF-VXGBXAGGSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C(C)(C)C(N)=O ZINC001268551505 884094291 /nfs/dbraw/zinc/09/42/91/884094291.db2.gz GLOWKMGMBXEDKS-WAYWQWQTSA-N 1 0 294.355 -1.491 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001269428113 884094607 /nfs/dbraw/zinc/09/46/07/884094607.db2.gz HOPZCKKJIIWWCM-QMMMGPOBSA-N 1 0 264.285 -1.544 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C(C)(C)C(N)=O ZINC001268551504 884095170 /nfs/dbraw/zinc/09/51/70/884095170.db2.gz GLOWKMGMBXEDKS-AATRIKPKSA-N 1 0 294.355 -1.491 20 30 CAEDRO C#CCC[NH2+]C1(CNC(=O)Cn2ncn(C)c2=O)CC1 ZINC001269442848 884096562 /nfs/dbraw/zinc/09/65/62/884096562.db2.gz NOGYUNGIAYEOTG-UHFFFAOYSA-N 1 0 277.328 -1.157 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC(N)=O ZINC001270023447 884096658 /nfs/dbraw/zinc/09/66/58/884096658.db2.gz ZQWZFAAHADJHJE-SNVBAGLBSA-N 1 0 282.344 -1.255 20 30 CAEDRO CC#CC[NH2+]CC1(NC(=O)C(N)=O)CCOCC1 ZINC001273994195 884100206 /nfs/dbraw/zinc/10/02/06/884100206.db2.gz AENRLPBGFCHCQO-UHFFFAOYSA-N 1 0 253.302 -1.250 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001274096540 884102597 /nfs/dbraw/zinc/10/25/97/884102597.db2.gz GLUINTOBHQZHAL-TYRPZCRBSA-N 1 0 264.285 -1.520 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(CC)CCNC1=O ZINC001278099146 884103848 /nfs/dbraw/zinc/10/38/48/884103848.db2.gz FBNIXRFDVWOUAK-ZWNOBZJWSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001278099561 884103979 /nfs/dbraw/zinc/10/39/79/884103979.db2.gz MKQZMMFKIPCHAU-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001278098999 884104383 /nfs/dbraw/zinc/10/43/83/884104383.db2.gz BKFKCIJGMFJSNL-NXEZZACHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001278093479 884105207 /nfs/dbraw/zinc/10/52/07/884105207.db2.gz LJZZYKTZTDHNMA-LLVKDONJSA-N 1 0 277.328 -1.145 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@]1(CC)CCNC1=O ZINC001278099144 884105773 /nfs/dbraw/zinc/10/57/73/884105773.db2.gz FBNIXRFDVWOUAK-GXFFZTMASA-N 1 0 267.329 -1.397 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001280648738 884107363 /nfs/dbraw/zinc/10/73/63/884107363.db2.gz OELHHFHGFDETCG-LLVKDONJSA-N 1 0 293.327 -1.115 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001278742842 884108218 /nfs/dbraw/zinc/10/82/18/884108218.db2.gz HFSSRJJYBWKDHU-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CCn2cnnn2)CCOCC1 ZINC001278726453 884107921 /nfs/dbraw/zinc/10/79/21/884107921.db2.gz SXBILLJBPFUBER-UHFFFAOYSA-N 1 0 292.343 -1.049 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001278856007 884108044 /nfs/dbraw/zinc/10/80/44/884108044.db2.gz ZZWAESWYGVHKSB-CYBMUJFWSA-N 1 0 283.372 -1.297 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001278721296 884108464 /nfs/dbraw/zinc/10/84/64/884108464.db2.gz NGGAPNDDTDWCBC-NSHDSACASA-N 1 0 255.318 -1.445 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001278855564 884108757 /nfs/dbraw/zinc/10/87/57/884108757.db2.gz RULITDYZRITELS-LLVKDONJSA-N 1 0 280.332 -1.553 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001317097966 884171514 /nfs/dbraw/zinc/17/15/14/884171514.db2.gz XFLUNYMCIWSZLZ-KYZUINATSA-N 1 0 259.331 -1.594 20 30 CAEDRO C[C@@]12C[NH+](CC(=O)NCC#N)C[C@@]1(C)C(=O)NC2=O ZINC001307994630 884129706 /nfs/dbraw/zinc/12/97/06/884129706.db2.gz SAYRQBGASKNQPV-RYUDHWBXSA-N 1 0 264.285 -1.389 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001312790092 884144057 /nfs/dbraw/zinc/14/40/57/884144057.db2.gz VCZDKSLYIOAZGL-VXGBXAGGSA-N 1 0 269.345 -1.064 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001312790076 884144265 /nfs/dbraw/zinc/14/42/65/884144265.db2.gz VCZDKSLYIOAZGL-NEPJUHHUSA-N 1 0 269.345 -1.064 20 30 CAEDRO CNC(=O)[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CCO1 ZINC001313439977 884150175 /nfs/dbraw/zinc/15/01/75/884150175.db2.gz ZIVLQWKIPOXZNA-NSHDSACASA-N 1 0 282.344 -1.292 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001316624338 884150637 /nfs/dbraw/zinc/15/06/37/884150637.db2.gz LXGLOAUIRVYWKA-AOOOYVTPSA-N 1 0 273.358 -1.347 20 30 CAEDRO C#CCN1CC[C@@H]1CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001316598845 884150752 /nfs/dbraw/zinc/15/07/52/884150752.db2.gz JQRDWSAFCAIOIM-CYBMUJFWSA-N 1 0 292.383 -1.074 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001316629801 884153181 /nfs/dbraw/zinc/15/31/81/884153181.db2.gz NKHMXZICIRYHMV-GUBZILKMSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)c1cn(C)nn1 ZINC001316821851 884153219 /nfs/dbraw/zinc/15/32/19/884153219.db2.gz DRLITWASLSXDAM-UHFFFAOYSA-N 1 0 292.343 -1.384 20 30 CAEDRO C=CCOCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001316809569 884154345 /nfs/dbraw/zinc/15/43/45/884154345.db2.gz KRJPPDBVHQZICW-UHFFFAOYSA-N 1 0 299.371 -1.040 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)CNC(=O)NC ZINC001316827636 884154536 /nfs/dbraw/zinc/15/45/36/884154536.db2.gz ULXKYOVBFOJLAP-UHFFFAOYSA-N 1 0 297.359 -1.897 20 30 CAEDRO C=CCC[NH+]1CCN(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001316967230 884163732 /nfs/dbraw/zinc/16/37/32/884163732.db2.gz WRTPFPNBWIPFLP-GFCCVEGCSA-N 1 0 295.387 -1.022 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001316982093 884164052 /nfs/dbraw/zinc/16/40/52/884164052.db2.gz WJPBTMQGHMUGKI-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001317061297 884166916 /nfs/dbraw/zinc/16/69/16/884166916.db2.gz OFZQCYLIECDDRT-JTQLQIEISA-N 1 0 288.373 -1.746 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001317072805 884172653 /nfs/dbraw/zinc/17/26/53/884172653.db2.gz GWTCODQGRMDHDJ-KYZUINATSA-N 1 0 268.317 -1.599 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CNC(C)=O)C1 ZINC001317104044 884170963 /nfs/dbraw/zinc/17/09/63/884170963.db2.gz KJMGYUDRYYLICI-ZMLRMANQSA-N 1 0 294.355 -1.503 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC001317108844 884171945 /nfs/dbraw/zinc/17/19/45/884171945.db2.gz NEEXDRNVAKQYEN-PHIMTYICSA-N 1 0 288.311 -1.033 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001317072686 884171977 /nfs/dbraw/zinc/17/19/77/884171977.db2.gz YHADBAOVDWCQJD-MGCOHNPYSA-N 1 0 288.311 -1.033 20 30 CAEDRO COC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317074513 884172339 /nfs/dbraw/zinc/17/23/39/884172339.db2.gz UWLJXPVZPCIXEY-KYZUINATSA-N 1 0 297.315 -1.781 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001317069094 884172406 /nfs/dbraw/zinc/17/24/06/884172406.db2.gz JGTQJRAZFFSMGK-NSHDSACASA-N 1 0 294.355 -1.418 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001317090249 884172587 /nfs/dbraw/zinc/17/25/87/884172587.db2.gz QPMSHGYJKNKIAG-MGCOHNPYSA-N 1 0 292.343 -1.114 20 30 CAEDRO COCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317071841 884172890 /nfs/dbraw/zinc/17/28/90/884172890.db2.gz OOMBPULHYRYUPH-MGCOHNPYSA-N 1 0 268.317 -1.101 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001317117357 884174558 /nfs/dbraw/zinc/17/45/58/884174558.db2.gz JYIXGBKLVFWSOA-RNFDROQYSA-N 1 0 292.339 -1.245 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001317119932 884175036 /nfs/dbraw/zinc/17/50/36/884175036.db2.gz LNNASSZYXIWUQL-YTWAJWBKSA-N 1 0 292.339 -1.906 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001317123061 884175217 /nfs/dbraw/zinc/17/52/17/884175217.db2.gz UPZLAOZHTTVBQF-TUAOUCFPSA-N 1 0 294.355 -1.373 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001317120449 884175502 /nfs/dbraw/zinc/17/55/02/884175502.db2.gz UTMKPMKUGQKRDT-KXNHARMFSA-N 1 0 279.340 -1.006 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001317120764 884176174 /nfs/dbraw/zinc/17/61/74/884176174.db2.gz HFQHWKXPVYMOKJ-AOOOYVTPSA-N 1 0 290.389 -1.195 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CNC(=O)OC ZINC001317227826 884177641 /nfs/dbraw/zinc/17/76/41/884177641.db2.gz UBXOCZURGLSXLM-VHSXEESVSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1=COCCO1 ZINC001317224980 884178298 /nfs/dbraw/zinc/17/82/98/884178298.db2.gz NZBJSGOMBLQRGM-SNVBAGLBSA-N 1 0 281.312 -1.282 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CCOCC1 ZINC001317241471 884178517 /nfs/dbraw/zinc/17/85/17/884178517.db2.gz SQEUFQLWFQATSV-GFCCVEGCSA-N 1 0 298.387 -1.285 20 30 CAEDRO C[C@H](CNC(=O)c1cnn(C)c1N)[NH2+]CC(=O)NCC#N ZINC001317235137 884178557 /nfs/dbraw/zinc/17/85/57/884178557.db2.gz PWTSXZBDVHZELT-MRVPVSSYSA-N 1 0 293.331 -1.650 20 30 CAEDRO C[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]CCN1C(=O)CNC1=O ZINC001317230768 884179166 /nfs/dbraw/zinc/17/91/66/884179166.db2.gz WTBZWNJRVLNWBN-DTWKUNHWSA-N 1 0 281.316 -1.208 20 30 CAEDRO C[C@H](CNC(=O)[C@H](C)n1cncn1)[NH2+]CC(=O)NCC#N ZINC001317232237 884179706 /nfs/dbraw/zinc/17/97/06/884179706.db2.gz CLJFGMARIFVGDC-ZJUUUORDSA-N 1 0 293.331 -1.427 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)CS(=O)(=O)NC ZINC001317661267 884235407 /nfs/dbraw/zinc/23/54/07/884235407.db2.gz TWXHKQRKHSZFKM-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001317264982 884180862 /nfs/dbraw/zinc/18/08/62/884180862.db2.gz BHUCRFSRPKPOJK-UWVGGRQHSA-N 1 0 270.333 -1.035 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001317262318 884181096 /nfs/dbraw/zinc/18/10/96/884181096.db2.gz WVCVFEMOWISLPB-IUCAKERBSA-N 1 0 295.347 -1.391 20 30 CAEDRO C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001317246088 884181204 /nfs/dbraw/zinc/18/12/04/884181204.db2.gz LMSWNISOFXOEHO-UWVGGRQHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C=CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001317264979 884181504 /nfs/dbraw/zinc/18/15/04/884181504.db2.gz BHUCRFSRPKPOJK-NXEZZACHSA-N 1 0 270.333 -1.035 20 30 CAEDRO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]CC(=O)NCC#N ZINC001317261290 884182017 /nfs/dbraw/zinc/18/20/17/884182017.db2.gz GMUOFVLUXHYPKS-ZJUUUORDSA-N 1 0 295.343 -1.659 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001317261238 884182217 /nfs/dbraw/zinc/18/22/17/884182217.db2.gz FSALAXBDUMBTPE-QMMMGPOBSA-N 1 0 279.304 -2.333 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001317259700 884182833 /nfs/dbraw/zinc/18/28/33/884182833.db2.gz YMWWOOMTRSWVQK-NSHDSACASA-N 1 0 266.345 -1.464 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001317247883 884182822 /nfs/dbraw/zinc/18/28/22/884182822.db2.gz WRULGEXVVFHEIZ-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001317247891 884183012 /nfs/dbraw/zinc/18/30/12/884183012.db2.gz WRULGEXVVFHEIZ-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001317247339 884183028 /nfs/dbraw/zinc/18/30/28/884183028.db2.gz KIROHCWJHSFTLT-SECBINFHSA-N 1 0 282.344 -1.658 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001317278269 884185310 /nfs/dbraw/zinc/18/53/10/884185310.db2.gz VNIQRYRXDKVHDM-DTWKUNHWSA-N 1 0 278.316 -1.350 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001317278271 884185391 /nfs/dbraw/zinc/18/53/91/884185391.db2.gz VNIQRYRXDKVHDM-IUCAKERBSA-N 1 0 278.316 -1.350 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1nnc[nH]1 ZINC001317278272 884186897 /nfs/dbraw/zinc/18/68/97/884186897.db2.gz VNIQRYRXDKVHDM-RKDXNWHRSA-N 1 0 278.316 -1.350 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001317321450 884189051 /nfs/dbraw/zinc/18/90/51/884189051.db2.gz GICGFWQDOUKNNK-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001317304720 884189145 /nfs/dbraw/zinc/18/91/45/884189145.db2.gz HPRZVAVLSIOEEQ-GWCFXTLKSA-N 1 0 298.318 -1.055 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001317297149 884189686 /nfs/dbraw/zinc/18/96/86/884189686.db2.gz QBDNHMLYVUEFIA-SFYZADRCSA-N 1 0 267.289 -1.469 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCNC1=O ZINC001317403339 884191132 /nfs/dbraw/zinc/19/11/32/884191132.db2.gz WOEUANZUOZHAFV-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@H](CCNC(=O)c1cn(C)nn1)[NH2+]CC(=O)NCC#N ZINC001317393924 884192009 /nfs/dbraw/zinc/19/20/09/884192009.db2.gz JCWMQLLDJUMPFJ-SECBINFHSA-N 1 0 293.331 -1.447 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001317403773 884192488 /nfs/dbraw/zinc/19/24/88/884192488.db2.gz FFROFUHKENJHSE-NXEZZACHSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001317355762 884192589 /nfs/dbraw/zinc/19/25/89/884192589.db2.gz MEUBBMJGIDYIBT-UWVGGRQHSA-N 1 0 280.328 -1.762 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cncn1 ZINC001317413393 884192663 /nfs/dbraw/zinc/19/26/63/884192663.db2.gz AMVUAJCUBYCQLN-NSHDSACASA-N 1 0 292.343 -1.488 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001317447888 884197725 /nfs/dbraw/zinc/19/77/25/884197725.db2.gz CCSNDKONPMRABJ-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001317470729 884198947 /nfs/dbraw/zinc/19/89/47/884198947.db2.gz UASNNJQFNRHIDO-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317469321 884200493 /nfs/dbraw/zinc/20/04/93/884200493.db2.gz DVCSHGZEFWHRSU-LBPRGKRZSA-N 1 0 280.372 -1.265 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001317487586 884206895 /nfs/dbraw/zinc/20/68/95/884206895.db2.gz ONTVJYWCUAXSIE-UHFFFAOYSA-N 1 0 299.356 -1.258 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CN1CCC(=O)NC1=O ZINC001317489056 884208234 /nfs/dbraw/zinc/20/82/34/884208234.db2.gz RGGFPMCDQSSDJH-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001317518775 884209029 /nfs/dbraw/zinc/20/90/29/884209029.db2.gz TZFDRCLNRDPMNG-GFCCVEGCSA-N 1 0 292.343 -1.239 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001317508447 884209191 /nfs/dbraw/zinc/20/91/91/884209191.db2.gz NFMKGMHBCJGTBG-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CCC[N@H+](CC)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001317478807 884210341 /nfs/dbraw/zinc/21/03/41/884210341.db2.gz XQUQEMPSQIHDMK-UHFFFAOYSA-N 1 0 292.343 -1.162 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001317536922 884214461 /nfs/dbraw/zinc/21/44/61/884214461.db2.gz MFNZWJKMEYKZIE-LLVKDONJSA-N 1 0 292.343 -1.088 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)CN1CCCC1=O ZINC001317565326 884214778 /nfs/dbraw/zinc/21/47/78/884214778.db2.gz VFYSOVGRTIEPPO-UHFFFAOYSA-N 1 0 296.371 -1.041 20 30 CAEDRO C#CC[N@H+](CCC)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001317540701 884216704 /nfs/dbraw/zinc/21/67/04/884216704.db2.gz MPJJTJOPOBOXMI-UHFFFAOYSA-N 1 0 292.343 -1.162 20 30 CAEDRO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001317523562 884218572 /nfs/dbraw/zinc/21/85/72/884218572.db2.gz SPODZVFWLZOBGA-NSHDSACASA-N 1 0 267.329 -1.050 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001317576033 884219636 /nfs/dbraw/zinc/21/96/36/884219636.db2.gz SHUCAKYIYUXDFF-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001317576032 884221216 /nfs/dbraw/zinc/22/12/16/884221216.db2.gz SHUCAKYIYUXDFF-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)Cn1ncnn1 ZINC001317587422 884221553 /nfs/dbraw/zinc/22/15/53/884221553.db2.gz JZJLJMSMGZXNKH-UHFFFAOYSA-N 1 0 266.305 -1.629 20 30 CAEDRO C=CC[NH2+]CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001317590151 884222900 /nfs/dbraw/zinc/22/29/00/884222900.db2.gz VZGOHRXBRKNFSZ-UHFFFAOYSA-N 1 0 266.305 -1.389 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001317594016 884223642 /nfs/dbraw/zinc/22/36/42/884223642.db2.gz GXDIPEPTMUCGJU-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001317598538 884225078 /nfs/dbraw/zinc/22/50/78/884225078.db2.gz ONJHOLOUBHPMLI-UHFFFAOYSA-N 1 0 291.311 -1.407 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cccnn1 ZINC001317644135 884232477 /nfs/dbraw/zinc/23/24/77/884232477.db2.gz VXKXUGCNJCKHNP-UHFFFAOYSA-N 1 0 275.312 -1.112 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001317654589 884233348 /nfs/dbraw/zinc/23/33/48/884233348.db2.gz OZVUUNHHYYRTGB-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO Cc1nc[nH]c1CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317656456 884233863 /nfs/dbraw/zinc/23/38/63/884233863.db2.gz INVWRTHPZQPWBX-UHFFFAOYSA-N 1 0 292.343 -1.052 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317852814 884239458 /nfs/dbraw/zinc/23/94/58/884239458.db2.gz ILYHMVKPHSTVCA-GHMZBOCLSA-N 1 0 296.371 -1.057 20 30 CAEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001317937234 884239797 /nfs/dbraw/zinc/23/97/97/884239797.db2.gz YWLJECYXXXAGQP-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001317852815 884240548 /nfs/dbraw/zinc/24/05/48/884240548.db2.gz ILYHMVKPHSTVCA-MNOVXSKESA-N 1 0 296.371 -1.057 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001317852816 884241043 /nfs/dbraw/zinc/24/10/43/884241043.db2.gz ILYHMVKPHSTVCA-QWRGUYRKSA-N 1 0 296.371 -1.057 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317831215 884242314 /nfs/dbraw/zinc/24/23/14/884242314.db2.gz PEDLQGRLESEEOX-LLVKDONJSA-N 1 0 296.371 -1.056 20 30 CAEDRO C#CCNC(=O)CN1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001318078432 884253627 /nfs/dbraw/zinc/25/36/27/884253627.db2.gz POIWKXGTXIJDLJ-UHFFFAOYSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001318131056 884258403 /nfs/dbraw/zinc/25/84/03/884258403.db2.gz YCRFZCTZAYYISF-UHFFFAOYSA-N 1 0 277.328 -1.347 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001318337292 884269845 /nfs/dbraw/zinc/26/98/45/884269845.db2.gz DJTQIEKVGQFBNY-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001318346940 884270033 /nfs/dbraw/zinc/27/00/33/884270033.db2.gz KSUODBAOIBLUMW-LLVKDONJSA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001318426119 884276146 /nfs/dbraw/zinc/27/61/46/884276146.db2.gz XVAPPLOMSIUUNE-SNVBAGLBSA-N 1 0 290.389 -1.241 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001318414143 884277633 /nfs/dbraw/zinc/27/76/33/884277633.db2.gz RVGRZBMNKRYJDD-GFCCVEGCSA-N 1 0 294.355 -1.595 20 30 CAEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001318426118 884277831 /nfs/dbraw/zinc/27/78/31/884277831.db2.gz XVAPPLOMSIUUNE-JTQLQIEISA-N 1 0 290.389 -1.241 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CN2CCNC(=O)C2)C1 ZINC001318478113 884281802 /nfs/dbraw/zinc/28/18/02/884281802.db2.gz KIWWGSXMTSFDMD-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001318566267 884284542 /nfs/dbraw/zinc/28/45/42/884284542.db2.gz AYOISGDPKMAKKS-NXEZZACHSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001318566269 884284649 /nfs/dbraw/zinc/28/46/49/884284649.db2.gz AYOISGDPKMAKKS-VHSXEESVSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCC[NH2+][C@H](CC)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001318524804 884285561 /nfs/dbraw/zinc/28/55/61/884285561.db2.gz PSJCOQAZRPEFEY-SNVBAGLBSA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001318566268 884286302 /nfs/dbraw/zinc/28/63/02/884286302.db2.gz AYOISGDPKMAKKS-UWVGGRQHSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cnn(C)n1 ZINC001318583503 884288105 /nfs/dbraw/zinc/28/81/05/884288105.db2.gz XFXWDWDVGHCUTO-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCC[NH2+][C@H](CC)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001318603713 884288736 /nfs/dbraw/zinc/28/87/36/884288736.db2.gz AUMNZPXXMIYNPR-SNVBAGLBSA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CC[NH2+][C@H](CC)CNC(=O)CNS(=O)(=O)N(C)C ZINC001318582423 884289173 /nfs/dbraw/zinc/28/91/73/884289173.db2.gz QAZJARSLUAIDJR-SNVBAGLBSA-N 1 0 290.389 -1.500 20 30 CAEDRO CC[C@@H](CNC(=O)c1cnon1)[NH2+]CC(=O)NCC#N ZINC001318590740 884289351 /nfs/dbraw/zinc/28/93/51/884289351.db2.gz IALBIGAISVPPMT-QMMMGPOBSA-N 1 0 280.288 -1.193 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)C(N)=O)CCCC1 ZINC001318654676 884289880 /nfs/dbraw/zinc/28/98/80/884289880.db2.gz XUURBWMUPRKZJW-JTQLQIEISA-N 1 0 294.355 -1.372 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319154192 884310757 /nfs/dbraw/zinc/31/07/57/884310757.db2.gz KEUIQJCJCACNGL-ZJUUUORDSA-N 1 0 297.359 -1.507 20 30 CAEDRO C[C@H](CNC(=O)c1cn[nH]n1)C[NH2+]CC(=O)NCC#N ZINC001319208562 884313540 /nfs/dbraw/zinc/31/35/40/884313540.db2.gz XDZGLIAILPRJJV-QMMMGPOBSA-N 1 0 279.304 -1.600 20 30 CAEDRO C[C@@H](CNC(=O)c1cn[nH]n1)C[NH2+]CC(=O)NCC#N ZINC001319208561 884313752 /nfs/dbraw/zinc/31/37/52/884313752.db2.gz XDZGLIAILPRJJV-MRVPVSSYSA-N 1 0 279.304 -1.600 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001319197913 884314243 /nfs/dbraw/zinc/31/42/43/884314243.db2.gz XXSHHVWJLFFBPE-SNVBAGLBSA-N 1 0 275.374 -1.099 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319186069 884315219 /nfs/dbraw/zinc/31/52/19/884315219.db2.gz PLVMKFNJWXPAGD-UWVGGRQHSA-N 1 0 298.343 -1.439 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319186066 884316585 /nfs/dbraw/zinc/31/65/85/884316585.db2.gz PLVMKFNJWXPAGD-NXEZZACHSA-N 1 0 298.343 -1.439 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001319198632 884316494 /nfs/dbraw/zinc/31/64/94/884316494.db2.gz WUJQQKOXKPUOKD-IUCAKERBSA-N 1 0 266.301 -1.440 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)CNC(=O)C(N)=O ZINC001319233163 884316530 /nfs/dbraw/zinc/31/65/30/884316530.db2.gz NGNAWQCHTNECOP-JTQLQIEISA-N 1 0 297.359 -1.424 20 30 CAEDRO C=CCN1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001319296359 884318729 /nfs/dbraw/zinc/31/87/29/884318729.db2.gz WVWKLNHEQUTTQV-JTQLQIEISA-N 1 0 266.305 -1.324 20 30 CAEDRO C=CCN1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001319296360 884319149 /nfs/dbraw/zinc/31/91/49/884319149.db2.gz WVWKLNHEQUTTQV-SNVBAGLBSA-N 1 0 266.305 -1.324 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001319285835 884319778 /nfs/dbraw/zinc/31/97/78/884319778.db2.gz ROYWQPPGXYHZDI-JTQLQIEISA-N 1 0 292.343 -1.258 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1=COCCO1 ZINC001319420103 884325925 /nfs/dbraw/zinc/32/59/25/884325925.db2.gz ZHMWJNJSKORESR-SNVBAGLBSA-N 1 0 296.327 -1.049 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001319417401 884327957 /nfs/dbraw/zinc/32/79/57/884327957.db2.gz FDPVVSHTSRKAJH-NSHDSACASA-N 1 0 280.332 -1.241 20 30 CAEDRO COCC[N@H+](C)CCNC(=O)Cn1cnc(C#N)n1 ZINC001319447579 884329525 /nfs/dbraw/zinc/32/95/25/884329525.db2.gz SWJNQLXJEDTMFJ-UHFFFAOYSA-N 1 0 266.305 -1.156 20 30 CAEDRO CNC(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319467772 884331556 /nfs/dbraw/zinc/33/15/56/884331556.db2.gz VYQNALVCPLVUPH-VIFPVBQESA-N 1 0 298.347 -2.008 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC(=O)NCC ZINC001319447667 884331406 /nfs/dbraw/zinc/33/14/06/884331406.db2.gz CRBTVTWOGWHIFA-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC(=O)NCC ZINC001319447666 884332224 /nfs/dbraw/zinc/33/22/24/884332224.db2.gz CRBTVTWOGWHIFA-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(N)=O ZINC001319523843 884336005 /nfs/dbraw/zinc/33/60/05/884336005.db2.gz CDMIORKDDRCHFO-IUCAKERBSA-N 1 0 268.317 -1.954 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)CC(N)=O ZINC001319508737 884336828 /nfs/dbraw/zinc/33/68/28/884336828.db2.gz CTOXORQKNAQBRX-QWRGUYRKSA-N 1 0 296.371 -1.316 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C(N)=O ZINC001319635117 884346550 /nfs/dbraw/zinc/34/65/50/884346550.db2.gz SQWFEAOFFTZPTL-MNOVXSKESA-N 1 0 296.371 -1.270 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C(N)=O ZINC001319635118 884347537 /nfs/dbraw/zinc/34/75/37/884347537.db2.gz SQWFEAOFFTZPTL-QWRGUYRKSA-N 1 0 296.371 -1.270 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001319815493 884352420 /nfs/dbraw/zinc/35/24/20/884352420.db2.gz AGFTXYRCSJKIFJ-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001319815491 884352831 /nfs/dbraw/zinc/35/28/31/884352831.db2.gz AGFTXYRCSJKIFJ-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001319815492 884353852 /nfs/dbraw/zinc/35/38/52/884353852.db2.gz AGFTXYRCSJKIFJ-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NN2CC(=O)NC2=O)CC1 ZINC001319914725 884360668 /nfs/dbraw/zinc/36/06/68/884360668.db2.gz HATLZQNQAHAFKD-UHFFFAOYSA-N 1 0 264.285 -1.085 20 30 CAEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1cnc(C#N)n1 ZINC001320093357 884374463 /nfs/dbraw/zinc/37/44/63/884374463.db2.gz WZHASCSFRRPXBT-NSHDSACASA-N 1 0 266.305 -1.421 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC1 ZINC001320186510 884380416 /nfs/dbraw/zinc/38/04/16/884380416.db2.gz ILLDSTVHOYMBHW-SECBINFHSA-N 1 0 254.290 -1.897 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC1 ZINC001320186513 884380790 /nfs/dbraw/zinc/38/07/90/884380790.db2.gz ILLDSTVHOYMBHW-VIFPVBQESA-N 1 0 254.290 -1.897 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001320199015 884381430 /nfs/dbraw/zinc/38/14/30/884381430.db2.gz HMNNEVXTTBRACN-RYUDHWBXSA-N 1 0 297.355 -1.628 20 30 CAEDRO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001320199860 884382047 /nfs/dbraw/zinc/38/20/47/884382047.db2.gz CFYLAURMJIXRSD-PSASIEDQSA-N 1 0 266.301 -1.053 20 30 CAEDRO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001320199865 884383984 /nfs/dbraw/zinc/38/39/84/884383984.db2.gz CFYLAURMJIXRSD-WPRPVWTQSA-N 1 0 266.301 -1.053 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001320201687 884384142 /nfs/dbraw/zinc/38/41/42/884384142.db2.gz ITJIQUDFVBZMPB-ZJUUUORDSA-N 1 0 284.316 -2.271 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1CCC1 ZINC001320200818 884384200 /nfs/dbraw/zinc/38/42/00/884384200.db2.gz IDWKLYWZGZTEIW-GFCCVEGCSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC1CCC1 ZINC001320200819 884386184 /nfs/dbraw/zinc/38/61/84/884386184.db2.gz IDWKLYWZGZTEIW-LBPRGKRZSA-N 1 0 281.356 -1.007 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](O)C[NH2+]CCCO)c1 ZINC001320203622 884386279 /nfs/dbraw/zinc/38/62/79/884386279.db2.gz UCQONASWQGAILA-JTQLQIEISA-N 1 0 266.301 -1.051 20 30 CAEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320202315 884387599 /nfs/dbraw/zinc/38/75/99/884387599.db2.gz KRGYYYTZQKEUMR-UWVGGRQHSA-N 1 0 283.328 -1.176 20 30 CAEDRO C=CCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320202318 884387632 /nfs/dbraw/zinc/38/76/32/884387632.db2.gz KRGYYYTZQKEUMR-ZJUUUORDSA-N 1 0 283.328 -1.176 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001320203118 884387848 /nfs/dbraw/zinc/38/78/48/884387848.db2.gz RYWQKJGOZSYIPU-CIQGVGRVSA-N 1 0 293.367 -1.151 20 30 CAEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001320216697 884389615 /nfs/dbraw/zinc/38/96/15/884389615.db2.gz YMNFOXBURXEDQM-NXEZZACHSA-N 1 0 255.318 -1.270 20 30 CAEDRO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001320205933 884390151 /nfs/dbraw/zinc/39/01/51/884390151.db2.gz VREOEODSDJNCQO-NSHDSACASA-N 1 0 285.344 -1.771 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1ccoc1 ZINC001320216191 884390527 /nfs/dbraw/zinc/39/05/27/884390527.db2.gz WOLGTBDVMLJAKC-GFCCVEGCSA-N 1 0 293.323 -1.362 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001320217076 884390609 /nfs/dbraw/zinc/39/06/09/884390609.db2.gz MWDSMPFAVSAUDI-QWHCGFSZSA-N 1 0 282.340 -1.259 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001320215856 884390876 /nfs/dbraw/zinc/39/08/76/884390876.db2.gz HNRMATCJSHPIMC-LBPRGKRZSA-N 1 0 279.340 -1.255 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCS(=O)(=O)NC ZINC001320214838 884392586 /nfs/dbraw/zinc/39/25/86/884392586.db2.gz AXIGQOIQTJQNSS-JTQLQIEISA-N 1 0 291.373 -1.984 20 30 CAEDRO CC(C)(O)CC(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001320213179 884392675 /nfs/dbraw/zinc/39/26/75/884392675.db2.gz FIOVETOORYOFKF-SECBINFHSA-N 1 0 286.332 -2.146 20 30 CAEDRO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC001320218583 884393970 /nfs/dbraw/zinc/39/39/70/884393970.db2.gz WMZBQVUURSWQOS-VIFPVBQESA-N 1 0 294.315 -2.260 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001320219417 884395241 /nfs/dbraw/zinc/39/52/41/884395241.db2.gz XWEWEEDWJFUPML-RYUDHWBXSA-N 1 0 270.329 -1.526 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN(C)C(=O)C1CC1 ZINC001320226665 884395793 /nfs/dbraw/zinc/39/57/93/884395793.db2.gz DVVUUMPWCNJWGU-LLVKDONJSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001320226240 884396526 /nfs/dbraw/zinc/39/65/26/884396526.db2.gz BQOZRXSZYNSUBN-UWVGGRQHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001320236361 884399243 /nfs/dbraw/zinc/39/92/43/884399243.db2.gz XREGYLGALDDGGX-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001320242995 884398236 /nfs/dbraw/zinc/39/82/36/884398236.db2.gz QOZINFZIXYSNCA-VXGBXAGGSA-N 1 0 269.345 -1.593 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001320242994 884398703 /nfs/dbraw/zinc/39/87/03/884398703.db2.gz QOZINFZIXYSNCA-RYUDHWBXSA-N 1 0 269.345 -1.593 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001320237218 884400153 /nfs/dbraw/zinc/40/01/53/884400153.db2.gz GPJWTWKSIYDQSV-QMMMGPOBSA-N 1 0 252.274 -1.263 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001320242580 884399888 /nfs/dbraw/zinc/39/98/88/884399888.db2.gz NEHWFTHFAWISGX-SNVBAGLBSA-N 1 0 281.316 -2.328 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001320235793 884399968 /nfs/dbraw/zinc/39/99/68/884399968.db2.gz REQSUMMSMWPWFS-SNVBAGLBSA-N 1 0 278.312 -1.021 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001320242579 884400466 /nfs/dbraw/zinc/40/04/66/884400466.db2.gz NEHWFTHFAWISGX-JTQLQIEISA-N 1 0 281.316 -2.328 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001320255961 884401806 /nfs/dbraw/zinc/40/18/06/884401806.db2.gz CBDBLQVJEGTWHJ-GHMZBOCLSA-N 1 0 283.328 -2.161 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001320255964 884402933 /nfs/dbraw/zinc/40/29/33/884402933.db2.gz CBDBLQVJEGTWHJ-WDEREUQCSA-N 1 0 283.328 -2.161 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001320255962 884403178 /nfs/dbraw/zinc/40/31/78/884403178.db2.gz CBDBLQVJEGTWHJ-MNOVXSKESA-N 1 0 283.328 -2.161 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1coc(C(N)=O)c1 ZINC001320262623 884405746 /nfs/dbraw/zinc/40/57/46/884405746.db2.gz XYHKLCGYBKTCJS-VIFPVBQESA-N 1 0 265.269 -1.308 20 30 CAEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001320279564 884407900 /nfs/dbraw/zinc/40/79/00/884407900.db2.gz DTIIYIDRBZLCPY-UWVGGRQHSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001320281911 884408235 /nfs/dbraw/zinc/40/82/35/884408235.db2.gz DXAUBQIJOPNSDF-GFCCVEGCSA-N 1 0 277.324 -1.143 20 30 CAEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(N)=O)s1 ZINC001320272148 884408502 /nfs/dbraw/zinc/40/85/02/884408502.db2.gz VLVCNIZWHYQWDZ-SSDOTTSWSA-N 1 0 282.325 -1.328 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001320281488 884408702 /nfs/dbraw/zinc/40/87/02/884408702.db2.gz AZRCREGDVZSXPO-SNVBAGLBSA-N 1 0 290.385 -1.100 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001320272781 884408815 /nfs/dbraw/zinc/40/88/15/884408815.db2.gz JCXGPWJKANVMAJ-BBBLOLIVSA-N 1 0 255.318 -1.249 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001320286616 884410533 /nfs/dbraw/zinc/41/05/33/884410533.db2.gz MVMOCBLCAXQTKH-LLVKDONJSA-N 1 0 292.339 -1.033 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCCS(C)(=O)=O ZINC001320286605 884410542 /nfs/dbraw/zinc/41/05/42/884410542.db2.gz MIYBFXSAXATCTD-NSHDSACASA-N 1 0 290.385 -1.099 20 30 CAEDRO CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320298088 884410909 /nfs/dbraw/zinc/41/09/09/884410909.db2.gz DSLBTRBGAYHNJV-VIFPVBQESA-N 1 0 270.333 -1.261 20 30 CAEDRO N#CCNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320296475 884411256 /nfs/dbraw/zinc/41/12/56/884411256.db2.gz QVULDDNFSJVSEI-JTQLQIEISA-N 1 0 252.318 -1.328 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001320300879 884411634 /nfs/dbraw/zinc/41/16/34/884411634.db2.gz CCMZMQNAAQYZTA-SECBINFHSA-N 1 0 282.300 -2.372 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001320302517 884411769 /nfs/dbraw/zinc/41/17/69/884411769.db2.gz HSMNWQJVPFKZLT-LBPRGKRZSA-N 1 0 277.324 -1.062 20 30 CAEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC#N)C1 ZINC001320296508 884412076 /nfs/dbraw/zinc/41/20/76/884412076.db2.gz RSTXPMYQWJVSPF-MNOVXSKESA-N 1 0 254.334 -1.082 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nccs1 ZINC001320291298 884412234 /nfs/dbraw/zinc/41/22/34/884412234.db2.gz AQARPHVCDLZMRL-SECBINFHSA-N 1 0 296.352 -1.427 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001320304139 884414321 /nfs/dbraw/zinc/41/43/21/884414321.db2.gz PRNAJMVCPABIMI-RKDXNWHRSA-N 1 0 284.316 -1.773 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cccc(C(N)=O)n1 ZINC001320318822 884414369 /nfs/dbraw/zinc/41/43/69/884414369.db2.gz ZFZPSAJWYVSFPQ-JTQLQIEISA-N 1 0 290.323 -1.116 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001320319146 884414491 /nfs/dbraw/zinc/41/44/91/884414491.db2.gz XXVUAJIYSGOXCD-QWRGUYRKSA-N 1 0 269.345 -1.166 20 30 CAEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001320304094 884414513 /nfs/dbraw/zinc/41/45/13/884414513.db2.gz PBRITKIUZBZSQU-JTQLQIEISA-N 1 0 298.343 -1.429 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001320318760 884414572 /nfs/dbraw/zinc/41/45/72/884414572.db2.gz XZOJXAMMKZMASS-LLVKDONJSA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001320312961 884414830 /nfs/dbraw/zinc/41/48/30/884414830.db2.gz IYPLRLXXLSNVNX-BDAKNGLRSA-N 1 0 275.330 -2.622 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)CNC(C)=O ZINC001320331345 884414959 /nfs/dbraw/zinc/41/49/59/884414959.db2.gz FJKFVYPXOURPGS-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC(C)C)C(N)=O ZINC001320319144 884415095 /nfs/dbraw/zinc/41/50/95/884415095.db2.gz XXVUAJIYSGOXCD-GHMZBOCLSA-N 1 0 269.345 -1.166 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001320315659 884415115 /nfs/dbraw/zinc/41/51/15/884415115.db2.gz URTNBHVZIHYVLL-JTQLQIEISA-N 1 0 278.312 -1.183 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1nccnc1C(N)=O ZINC001320304189 884415266 /nfs/dbraw/zinc/41/52/66/884415266.db2.gz QEAOXFIROVWQCP-SECBINFHSA-N 1 0 293.327 -1.168 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001320304567 884415454 /nfs/dbraw/zinc/41/54/54/884415454.db2.gz QWHHRXCCBXZBTD-LLVKDONJSA-N 1 0 263.297 -1.452 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001320356132 884417103 /nfs/dbraw/zinc/41/71/03/884417103.db2.gz GWGMXNMPPPXQBF-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001320356468 884417600 /nfs/dbraw/zinc/41/76/00/884417600.db2.gz KKNYDYBQZQMIBX-NEPJUHHUSA-N 1 0 297.355 -1.364 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CNC(=O)N1 ZINC001320529098 884429007 /nfs/dbraw/zinc/42/90/07/884429007.db2.gz JJWCMDXLCXOVEU-DTWKUNHWSA-N 1 0 296.331 -2.208 20 30 CAEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001320529943 884429063 /nfs/dbraw/zinc/42/90/63/884429063.db2.gz ORCZDYGEOQCFKC-MNOVXSKESA-N 1 0 282.344 -1.198 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CN1CCNC(=O)C1 ZINC001320811518 884448378 /nfs/dbraw/zinc/44/83/78/884448378.db2.gz OWLOLGKWZSNGQJ-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CN1CCC(=O)NC1=O ZINC001320890489 884456030 /nfs/dbraw/zinc/45/60/30/884456030.db2.gz ZARVFBMVRZXAGU-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC(=O)N1 ZINC001320997435 884461082 /nfs/dbraw/zinc/46/10/82/884461082.db2.gz IZQZJXKYUCVVQJ-PGLGOXFNSA-N 1 0 292.339 -1.724 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC(=O)N1 ZINC001320997434 884463099 /nfs/dbraw/zinc/46/30/99/884463099.db2.gz IZQZJXKYUCVVQJ-DLRQAJBASA-N 1 0 292.339 -1.724 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1COC(=O)N1 ZINC001321045224 884466334 /nfs/dbraw/zinc/46/63/34/884466334.db2.gz PWXIGPBLFORCGW-XOULXFPDSA-N 1 0 294.311 -1.894 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1COC(=O)N1 ZINC001321045222 884466294 /nfs/dbraw/zinc/46/62/94/884466294.db2.gz PWXIGPBLFORCGW-HMDXOVGESA-N 1 0 294.311 -1.894 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnnn1C ZINC001321044765 884466410 /nfs/dbraw/zinc/46/64/10/884466410.db2.gz LREBIWQQTAEXIJ-SNAWJCMRSA-N 1 0 290.327 -1.560 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)C1CS(=O)(=O)C1 ZINC001321071334 884468564 /nfs/dbraw/zinc/46/85/64/884468564.db2.gz SOGGQRMIHSYQFL-ARJAWSKDSA-N 1 0 256.327 -1.074 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001321224348 884480360 /nfs/dbraw/zinc/48/03/60/884480360.db2.gz RLMREAAFSBCRTI-XNPJLODASA-N 1 0 268.317 -1.576 20 30 CAEDRO COCC#CC[NH2+]C/C=C\CNC(=O)CCn1cnnn1 ZINC001321305944 884486148 /nfs/dbraw/zinc/48/61/48/884486148.db2.gz UNJBADMBFORVFB-IHWYPQMZSA-N 1 0 292.343 -1.025 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1ccnc1 ZINC001321431578 884492874 /nfs/dbraw/zinc/49/28/74/884492874.db2.gz GXGDXFKRGIQQOQ-ONEGZZNKSA-N 1 0 289.339 -1.106 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CCCC1=O ZINC001321455802 884495906 /nfs/dbraw/zinc/49/59/06/884495906.db2.gz VXZQKVZDDCMIOC-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001321500378 884496649 /nfs/dbraw/zinc/49/66/49/884496649.db2.gz DMUBGPTVWYSZLO-ZJUUUORDSA-N 1 0 270.333 -1.213 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1COC(=O)C1 ZINC001321488497 884497676 /nfs/dbraw/zinc/49/76/76/884497676.db2.gz LGKCLTWGROOSQM-MNOVXSKESA-N 1 0 295.339 -1.217 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001321595084 884504262 /nfs/dbraw/zinc/50/42/62/884504262.db2.gz RMLBGGWKGWRZKV-BDAKNGLRSA-N 1 0 287.341 -2.373 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]n1 ZINC001321567724 884504524 /nfs/dbraw/zinc/50/45/24/884504524.db2.gz MLCJVMVJMCGUQT-SSDOTTSWSA-N 1 0 265.277 -1.848 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001321628839 884505241 /nfs/dbraw/zinc/50/52/41/884505241.db2.gz YOZIHMQFBKMAPY-NXEZZACHSA-N 1 0 268.317 -1.588 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001321628840 884505632 /nfs/dbraw/zinc/50/56/32/884505632.db2.gz YOZIHMQFBKMAPY-ZJUUUORDSA-N 1 0 268.317 -1.588 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1cnoc1 ZINC001321628535 884506004 /nfs/dbraw/zinc/50/60/04/884506004.db2.gz YEGUVMQJXCJEJK-SECBINFHSA-N 1 0 279.300 -1.049 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ncccn1 ZINC001321684621 884510228 /nfs/dbraw/zinc/51/02/28/884510228.db2.gz MZMFCAOKSSRTKG-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO CC[C@H](NC(C)=O)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321654159 884510622 /nfs/dbraw/zinc/51/06/22/884510622.db2.gz HIERJTMEZLHUDF-KOLCDFICSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001321736239 884512223 /nfs/dbraw/zinc/51/22/23/884512223.db2.gz UHLQXCCSTUHZPZ-SECBINFHSA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cnnn1 ZINC001321789934 884515161 /nfs/dbraw/zinc/51/51/61/884515161.db2.gz RZROVYXVKQVGEB-UWVGGRQHSA-N 1 0 293.331 -2.095 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001321746124 884516591 /nfs/dbraw/zinc/51/65/91/884516591.db2.gz GRNPURODEYPWNP-RKDXNWHRSA-N 1 0 261.347 -1.042 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321842114 884522454 /nfs/dbraw/zinc/52/24/54/884522454.db2.gz LSONAXJCKGNNBR-UWVGGRQHSA-N 1 0 295.343 -1.259 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001321864965 884523302 /nfs/dbraw/zinc/52/33/02/884523302.db2.gz BTEBWDATSOCURK-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001321866328 884524694 /nfs/dbraw/zinc/52/46/94/884524694.db2.gz LZMMDVVJBDBSQH-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001321908519 884527175 /nfs/dbraw/zinc/52/71/75/884527175.db2.gz IPYUKUFRJMPVIA-VIFPVBQESA-N 1 0 264.285 -1.324 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@]1(F)CCOC1 ZINC001321958830 884529245 /nfs/dbraw/zinc/52/92/45/884529245.db2.gz RWVIPLXJUQAJIK-CABZTGNLSA-N 1 0 286.307 -1.151 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001321950417 884529807 /nfs/dbraw/zinc/52/98/07/884529807.db2.gz VXKXINFWJYRYSD-VHSXEESVSA-N 1 0 297.359 -1.594 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001321957842 884531122 /nfs/dbraw/zinc/53/11/22/884531122.db2.gz UPPJUCKFICOFOX-DTWKUNHWSA-N 1 0 295.347 -1.391 20 30 CAEDRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001322002635 884532769 /nfs/dbraw/zinc/53/27/69/884532769.db2.gz PDXIDXVJHLOXAH-NSHDSACASA-N 1 0 298.343 -1.568 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)C1(n2cnnn2)CCOCC1 ZINC001322015525 884533433 /nfs/dbraw/zinc/53/34/33/884533433.db2.gz OHHSCHYXMWFBFL-NSHDSACASA-N 1 0 292.343 -1.094 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001322001506 884533863 /nfs/dbraw/zinc/53/38/63/884533863.db2.gz BNZNNXWAGMDGSE-YUMQZZPRSA-N 1 0 252.274 -1.688 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCc1cn[nH]n1 ZINC001321989896 884534624 /nfs/dbraw/zinc/53/46/24/884534624.db2.gz DPBFDPITZHOSHE-VIFPVBQESA-N 1 0 293.331 -1.529 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322070492 884537917 /nfs/dbraw/zinc/53/79/17/884537917.db2.gz UHLQXCCSTUHZPZ-VIFPVBQESA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001322049357 884538275 /nfs/dbraw/zinc/53/82/75/884538275.db2.gz BHQLQDVETSEKFA-UWVGGRQHSA-N 1 0 280.328 -1.891 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)C(N)=O)CC1 ZINC001322358148 884550607 /nfs/dbraw/zinc/55/06/07/884550607.db2.gz OUTUBBUINIHKAY-JTQLQIEISA-N 1 0 253.302 -1.706 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)Cn1ncnn1 ZINC001322511949 884557867 /nfs/dbraw/zinc/55/78/67/884557867.db2.gz NBCPDYGCYIYOQE-UHFFFAOYSA-N 1 0 294.319 -2.249 20 30 CAEDRO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001322693463 884570338 /nfs/dbraw/zinc/57/03/38/884570338.db2.gz KYHNUYLPAJKGCJ-NSHDSACASA-N 1 0 268.361 -1.007 20 30 CAEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC(=O)NCC#N ZINC001322789113 884578016 /nfs/dbraw/zinc/57/80/16/884578016.db2.gz HHJZPUJGNMHWIS-SNVBAGLBSA-N 1 0 268.317 -1.289 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001322779816 884578111 /nfs/dbraw/zinc/57/81/11/884578111.db2.gz LJCPWRJCKAWVLF-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C[C@H](NC(=O)NCC(=O)NCC#N)[C@H]1CN(C)CCO1 ZINC001323068062 884597150 /nfs/dbraw/zinc/59/71/50/884597150.db2.gz HRJMDWUDUWVGCD-VHSXEESVSA-N 1 0 283.332 -1.356 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001323244012 884603070 /nfs/dbraw/zinc/60/30/70/884603070.db2.gz BAIPKJUILBVNBR-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001323261808 884607562 /nfs/dbraw/zinc/60/75/62/884607562.db2.gz KSLMDGPEBNVZPR-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC001323259313 884607893 /nfs/dbraw/zinc/60/78/93/884607893.db2.gz HHJQXCLLUDITGV-UHFFFAOYSA-N 1 0 255.318 -1.228 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCC#N ZINC001323401957 884616653 /nfs/dbraw/zinc/61/66/53/884616653.db2.gz CQJJPLFMUHCCEW-NSHDSACASA-N 1 0 281.360 -1.232 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)C2=COCCO2)CC1 ZINC001323383948 884614076 /nfs/dbraw/zinc/61/40/76/884614076.db2.gz XPPVSJRUWPLPGX-UHFFFAOYSA-N 1 0 294.311 -1.247 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001323444579 884616540 /nfs/dbraw/zinc/61/65/40/884616540.db2.gz UWERXTLFQBXQSU-UHFFFAOYSA-N 1 0 290.327 -1.361 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCC#N ZINC001323401956 884617222 /nfs/dbraw/zinc/61/72/22/884617222.db2.gz CQJJPLFMUHCCEW-LLVKDONJSA-N 1 0 281.360 -1.232 20 30 CAEDRO C#CCC[NH2+]C1(CNC(=O)CN2CCNC(=O)C2)CC1 ZINC001323508669 884621049 /nfs/dbraw/zinc/62/10/49/884621049.db2.gz MXGJOWOGKXUGGU-UHFFFAOYSA-N 1 0 278.356 -1.320 20 30 CAEDRO C=CC[NH2+]C1(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001323566291 884624545 /nfs/dbraw/zinc/62/45/45/884624545.db2.gz HGGJBWRQXUUOOZ-JTQLQIEISA-N 1 0 282.344 -1.209 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001323613392 884627731 /nfs/dbraw/zinc/62/77/31/884627731.db2.gz DZWVRYIUKNDPID-SECBINFHSA-N 1 0 271.342 -1.450 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)C(=O)OC)CC1 ZINC001323815233 884636924 /nfs/dbraw/zinc/63/69/24/884636924.db2.gz FFMHMXJULXPIMM-NSHDSACASA-N 1 0 268.313 -1.018 20 30 CAEDRO C[NH+](C)C[C@@H](CO)NC(=O)Cn1cnc(C#N)n1 ZINC001324071718 884647226 /nfs/dbraw/zinc/64/72/26/884647226.db2.gz QCYQTNKTTFGTRY-QMMMGPOBSA-N 1 0 252.278 -1.812 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001324080949 884647878 /nfs/dbraw/zinc/64/78/78/884647878.db2.gz LFMVPMAPAQZYNE-NXEZZACHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C=CCOCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001324130113 884649823 /nfs/dbraw/zinc/64/98/23/884649823.db2.gz ODCVTAPREAZLOT-SNVBAGLBSA-N 1 0 298.343 -1.036 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001324186356 884654718 /nfs/dbraw/zinc/65/47/18/884654718.db2.gz IGFIGMUCJRBMDM-SNVBAGLBSA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](CO)NC(N)=O ZINC001324375506 884668641 /nfs/dbraw/zinc/66/86/41/884668641.db2.gz YYTGGYFEKXBMEO-SECBINFHSA-N 1 0 256.306 -1.913 20 30 CAEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC(=O)NCC#N ZINC001324446121 884670835 /nfs/dbraw/zinc/67/08/35/884670835.db2.gz ISNRRGLWFGOKSS-LLVKDONJSA-N 1 0 296.375 -1.439 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](NC(=O)C(N)=O)C1CCCC1 ZINC001324496156 884674699 /nfs/dbraw/zinc/67/46/99/884674699.db2.gz UIDFDPJUMOJEFC-JTQLQIEISA-N 1 0 295.343 -1.624 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C(N)=O)C1CCCC1 ZINC001324496157 884675069 /nfs/dbraw/zinc/67/50/69/884675069.db2.gz UIDFDPJUMOJEFC-SNVBAGLBSA-N 1 0 295.343 -1.624 20 30 CAEDRO C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001324578170 884677911 /nfs/dbraw/zinc/67/79/11/884677911.db2.gz QUBSFEUDRDNCKL-NWDGAFQWSA-N 1 0 298.387 -1.334 20 30 CAEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001324655361 884687552 /nfs/dbraw/zinc/68/75/52/884687552.db2.gz BPPRNAASIUEGGU-SMDDNHRTSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001324777905 884689214 /nfs/dbraw/zinc/68/92/14/884689214.db2.gz XYSVBYCJYHHMAA-HZMBPMFUSA-N 1 0 294.355 -1.562 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001325081468 884705553 /nfs/dbraw/zinc/70/55/53/884705553.db2.gz IKNXSXBZYVGJPO-GXFFZTMASA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001325098439 884708562 /nfs/dbraw/zinc/70/85/62/884708562.db2.gz SJRALDZIQDPTHS-LLVKDONJSA-N 1 0 264.289 -2.141 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001325098608 884708950 /nfs/dbraw/zinc/70/89/50/884708950.db2.gz SOOQKZVSBNKSEM-OCCSQVGLSA-N 1 0 284.356 -1.040 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001325121893 884709309 /nfs/dbraw/zinc/70/93/09/884709309.db2.gz AKZCCHLZBBSQRG-NSHDSACASA-N 1 0 266.305 -1.437 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001325100737 884709981 /nfs/dbraw/zinc/70/99/81/884709981.db2.gz CAPRHEXZKRYINY-ZANVPECISA-N 1 0 294.311 -2.229 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001325103175 884710234 /nfs/dbraw/zinc/71/02/34/884710234.db2.gz YXAQISFSMRVXDU-GFCCVEGCSA-N 1 0 270.333 -1.346 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001325115641 884711764 /nfs/dbraw/zinc/71/17/64/884711764.db2.gz VWNMKXXZOVTCMQ-GFCCVEGCSA-N 1 0 263.301 -1.087 20 30 CAEDRO C#CCN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001325190713 884717920 /nfs/dbraw/zinc/71/79/20/884717920.db2.gz VPZJLDRKISVYQC-LLVKDONJSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCC2(O)CN(CCO)C2)CC1 ZINC001325319669 884727944 /nfs/dbraw/zinc/72/79/44/884727944.db2.gz ZLHVNQXGDAQMDS-UHFFFAOYSA-N 1 0 295.383 -1.513 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001325356868 884728373 /nfs/dbraw/zinc/72/83/73/884728373.db2.gz REMQQHYFXHISGR-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001325356866 884729220 /nfs/dbraw/zinc/72/92/20/884729220.db2.gz REMQQHYFXHISGR-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001325384288 884731718 /nfs/dbraw/zinc/73/17/18/884731718.db2.gz JHDMWBSOGRONOX-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001325466212 884732977 /nfs/dbraw/zinc/73/29/77/884732977.db2.gz LFDVSCBCRKOYLL-MNOVXSKESA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001325466214 884733397 /nfs/dbraw/zinc/73/33/97/884733397.db2.gz LFDVSCBCRKOYLL-WDEREUQCSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001325384291 884733949 /nfs/dbraw/zinc/73/39/49/884733949.db2.gz JHDMWBSOGRONOX-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001326012926 884755055 /nfs/dbraw/zinc/75/50/55/884755055.db2.gz YIRCCIRMZCCNIH-VIFPVBQESA-N 1 0 257.290 -1.309 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)nn1 ZINC001325829875 884743645 /nfs/dbraw/zinc/74/36/45/884743645.db2.gz IFBWUBNHVOOILK-LLVKDONJSA-N 1 0 292.343 -1.066 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCn1cnc(C#N)n1 ZINC001325843770 884743917 /nfs/dbraw/zinc/74/39/17/884743917.db2.gz HKIYZFGUNQVDLI-NSHDSACASA-N 1 0 277.332 -1.054 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)nn1 ZINC001325829876 884744702 /nfs/dbraw/zinc/74/47/02/884744702.db2.gz IFBWUBNHVOOILK-NSHDSACASA-N 1 0 292.343 -1.066 20 30 CAEDRO C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001325845945 884745035 /nfs/dbraw/zinc/74/50/35/884745035.db2.gz GIJNMPJLJVEMOL-MFKMUULPSA-N 1 0 282.344 -1.203 20 30 CAEDRO C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001325845939 884745330 /nfs/dbraw/zinc/74/53/30/884745330.db2.gz GIJNMPJLJVEMOL-GWCFXTLKSA-N 1 0 282.344 -1.203 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)nn1 ZINC001325864750 884749565 /nfs/dbraw/zinc/74/95/65/884749565.db2.gz WWYXYJVZFNIGSZ-JTQLQIEISA-N 1 0 292.343 -1.052 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001326012925 884755190 /nfs/dbraw/zinc/75/51/90/884755190.db2.gz YIRCCIRMZCCNIH-SECBINFHSA-N 1 0 257.290 -1.309 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc[nH]1 ZINC001325979457 884755443 /nfs/dbraw/zinc/75/54/43/884755443.db2.gz GSOUYRVPRUQFIE-UHFFFAOYSA-N 1 0 293.327 -1.321 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001325988629 884757181 /nfs/dbraw/zinc/75/71/81/884757181.db2.gz ILFKIMBARIGERR-LLVKDONJSA-N 1 0 297.359 -1.418 20 30 CAEDRO CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001326020489 884759705 /nfs/dbraw/zinc/75/97/05/884759705.db2.gz BWFVEJJNDUYQDE-UHFFFAOYSA-N 1 0 269.345 -1.068 20 30 CAEDRO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001326057174 884762651 /nfs/dbraw/zinc/76/26/51/884762651.db2.gz GRQHNCUXISGUAU-FXQIFTODSA-N 1 0 260.319 -1.848 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1COCCN1CC ZINC001326052130 884764571 /nfs/dbraw/zinc/76/45/71/884764571.db2.gz DDWMQEFHRYOSQG-CYBMUJFWSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001326070526 884764791 /nfs/dbraw/zinc/76/47/91/884764791.db2.gz PHIGAXQUYVSHPL-MNOVXSKESA-N 1 0 267.329 -1.458 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001326091479 884765880 /nfs/dbraw/zinc/76/58/80/884765880.db2.gz MUOWKVSCZZRWKG-CQSZACIVSA-N 1 0 281.356 -1.054 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001326091478 884767254 /nfs/dbraw/zinc/76/72/54/884767254.db2.gz MUOWKVSCZZRWKG-AWEZNQCLSA-N 1 0 281.356 -1.054 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001326092077 884767767 /nfs/dbraw/zinc/76/77/67/884767767.db2.gz TZQYRFYUEGUZTN-NWDGAFQWSA-N 1 0 297.355 -1.547 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001326079696 884768037 /nfs/dbraw/zinc/76/80/37/884768037.db2.gz KHEWDIXIEAPWGW-UHFFFAOYSA-N 1 0 264.285 -1.573 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001326145882 884769339 /nfs/dbraw/zinc/76/93/39/884769339.db2.gz HADABJCIIUATRW-JTQLQIEISA-N 1 0 296.327 -1.982 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)c1cn(C)c(=O)n1C ZINC001326158220 884769724 /nfs/dbraw/zinc/76/97/24/884769724.db2.gz FNAIUFVUXVAKDF-UHFFFAOYSA-N 1 0 282.344 -1.066 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CS(=O)(=O)N(C)C ZINC001326133377 884770763 /nfs/dbraw/zinc/77/07/63/884770763.db2.gz QRLISZGVMYTOFI-UHFFFAOYSA-N 1 0 291.373 -2.079 20 30 CAEDRO C#CCNC(=O)CC[N@H+](C)CCNS(C)(=O)=O ZINC001326247682 884778143 /nfs/dbraw/zinc/77/81/43/884778143.db2.gz IIEAWPFBFMIVLO-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001326548485 884805834 /nfs/dbraw/zinc/80/58/34/884805834.db2.gz XFGZDYJBKUFUHL-UWVGGRQHSA-N 1 0 255.318 -1.006 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001326584156 884810162 /nfs/dbraw/zinc/81/01/62/884810162.db2.gz JWBCFQVFAPJAJK-SNVBAGLBSA-N 1 0 263.363 -1.173 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)nn1 ZINC001326583511 884811806 /nfs/dbraw/zinc/81/18/06/884811806.db2.gz ITGPNVGYZXQGBJ-JTQLQIEISA-N 1 0 292.343 -1.052 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(C)=O)CCO1 ZINC001326937763 884845566 /nfs/dbraw/zinc/84/55/66/884845566.db2.gz NCYYJVVLKMDOBS-LLVKDONJSA-N 1 0 298.343 -1.165 20 30 CAEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 ZINC001326906877 884845954 /nfs/dbraw/zinc/84/59/54/884845954.db2.gz OMKZSGULFPTQLD-IUCAKERBSA-N 1 0 264.289 -1.276 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CCO[C@@H](C[NH3+])C2)n1 ZINC001326906792 884846878 /nfs/dbraw/zinc/84/68/78/884846878.db2.gz MEIXXNPVNUKOEJ-QMMMGPOBSA-N 1 0 250.262 -1.664 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001326975119 884848846 /nfs/dbraw/zinc/84/88/46/884848846.db2.gz UAAPWIQCCBPLDA-QWRGUYRKSA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001326970664 884849104 /nfs/dbraw/zinc/84/91/04/884849104.db2.gz JYVWLBKUBYERMV-NSHDSACASA-N 1 0 267.329 -1.301 20 30 CAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001326977540 884850934 /nfs/dbraw/zinc/85/09/34/884850934.db2.gz IAVDXXGUKPGTGA-JTQLQIEISA-N 1 0 266.305 -1.324 20 30 CAEDRO CN(C)C[C@@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC001327002746 884852989 /nfs/dbraw/zinc/85/29/89/884852989.db2.gz MENHQVMPOYOUIG-RYUDHWBXSA-N 1 0 258.366 -1.295 20 30 CAEDRO CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001327002745 884853162 /nfs/dbraw/zinc/85/31/62/884853162.db2.gz MENHQVMPOYOUIG-NWDGAFQWSA-N 1 0 258.366 -1.295 20 30 CAEDRO CNC(NCCCCn1cc(C(N)=O)nn1)=[NH+]C ZINC001327065540 884860913 /nfs/dbraw/zinc/86/09/13/884860913.db2.gz FTWNSPKDCFXBDI-UHFFFAOYSA-N 1 0 253.310 -1.048 20 30 CAEDRO N#Cc1ncn(CC(=O)NC[C@H]2C[NH2+]CCO2)n1 ZINC001327448236 884886014 /nfs/dbraw/zinc/88/60/14/884886014.db2.gz FAGOODADMCYNNN-MRVPVSSYSA-N 1 0 250.262 -1.746 20 30 CAEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001327486454 884895107 /nfs/dbraw/zinc/89/51/07/884895107.db2.gz PDEKHUDKYAREPK-GZMMTYOYSA-N 1 0 254.265 -1.071 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC001327520982 884898541 /nfs/dbraw/zinc/89/85/41/884898541.db2.gz QANKHABTQSHBKA-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO COCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001327539722 884898597 /nfs/dbraw/zinc/89/85/97/884898597.db2.gz DHWPOOXHQMPQAE-CYBMUJFWSA-N 1 0 298.343 -1.784 20 30 CAEDRO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cnnn2)C1 ZINC001327545618 884900610 /nfs/dbraw/zinc/90/06/10/884900610.db2.gz JXWUWMPHPJPJOF-CYBMUJFWSA-N 1 0 292.343 -1.361 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001327553556 884902077 /nfs/dbraw/zinc/90/20/77/884902077.db2.gz CGQGWSXRLYHXSL-BXUZGUMPSA-N 1 0 279.340 -1.159 20 30 CAEDRO C=CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cnnn2)C1 ZINC001327544237 884901717 /nfs/dbraw/zinc/90/17/17/884901717.db2.gz DWMKBTOTPKLSPO-GFCCVEGCSA-N 1 0 280.332 -1.198 20 30 CAEDRO CC#CC[NH2+][C@]1(CO)CCCN(C(=O)c2nnn(C)n2)C1 ZINC001327581423 884904797 /nfs/dbraw/zinc/90/47/97/884904797.db2.gz PWTMFSKVLAFKEH-CYBMUJFWSA-N 1 0 292.343 -1.210 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)[C@@H]2CNC(=O)N2)CCOCC1 ZINC001327655695 884916534 /nfs/dbraw/zinc/91/65/34/884916534.db2.gz GCMSRLMJFLPLKK-JTQLQIEISA-N 1 0 280.328 -1.444 20 30 CAEDRO C=CCNC(=[NH2+])NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001327772169 884924435 /nfs/dbraw/zinc/92/44/35/884924435.db2.gz IXCJNMPKXIQLDL-VIFPVBQESA-N 1 0 288.373 -1.020 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001327871291 884934805 /nfs/dbraw/zinc/93/48/05/884934805.db2.gz YWZCKMXVSOWFCA-LBPRGKRZSA-N 1 0 278.356 -1.511 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001327924093 884938482 /nfs/dbraw/zinc/93/84/82/884938482.db2.gz JPHSFSZEJYVYKC-ZJUUUORDSA-N 1 0 290.327 -1.396 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001327924091 884940426 /nfs/dbraw/zinc/94/04/26/884940426.db2.gz JPHSFSZEJYVYKC-VHSXEESVSA-N 1 0 290.327 -1.396 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)nn1 ZINC001327961938 884943581 /nfs/dbraw/zinc/94/35/81/884943581.db2.gz QDMGCLBYPOJUAY-NSHDSACASA-N 1 0 292.343 -1.066 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)nn1 ZINC001327961958 884944561 /nfs/dbraw/zinc/94/45/61/884944561.db2.gz RCSUHPUMSBZDCN-SECBINFHSA-N 1 0 278.316 -1.360 20 30 CAEDRO N#Cc1ncn(CC[NH2+]C[C@@H](O)Cn2cccn2)n1 ZINC001327991515 884946560 /nfs/dbraw/zinc/94/65/60/884946560.db2.gz HNTPLAIBXMEVDN-SNVBAGLBSA-N 1 0 261.289 -1.003 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001327977632 884948376 /nfs/dbraw/zinc/94/83/76/884948376.db2.gz IMCCAYISOJICNT-NSHDSACASA-N 1 0 297.359 -1.276 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)CCn2cnnn2)CC1 ZINC001328204922 884960171 /nfs/dbraw/zinc/96/01/71/884960171.db2.gz CTOZJNKKJQMUSP-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001328312425 884966513 /nfs/dbraw/zinc/96/65/13/884966513.db2.gz GQADGAGWQJZFSR-WDEREUQCSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CNC(=O)OC ZINC001328311083 884966616 /nfs/dbraw/zinc/96/66/16/884966616.db2.gz QUQLEQQQWLNBNE-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CC(N)=O ZINC001328323452 884967450 /nfs/dbraw/zinc/96/74/50/884967450.db2.gz TXKDHPMGKRRLFO-UWVGGRQHSA-N 1 0 282.344 -1.516 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1nnn(C)n1 ZINC001328387561 884978086 /nfs/dbraw/zinc/97/80/86/884978086.db2.gz CVGYLLYOUITNPC-VIFPVBQESA-N 1 0 295.347 -1.390 20 30 CAEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001328380777 884978191 /nfs/dbraw/zinc/97/81/91/884978191.db2.gz HWDNCZCGSPRWOX-BDAKNGLRSA-N 1 0 254.290 -1.539 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC001328381381 884980307 /nfs/dbraw/zinc/98/03/07/884980307.db2.gz VHGQBOONXIVBPX-NXEZZACHSA-N 1 0 253.302 -1.429 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCn1cc(CO)nn1 ZINC001328411712 884981728 /nfs/dbraw/zinc/98/17/28/884981728.db2.gz ILTQRQAQSYEJSP-UHFFFAOYSA-N 1 0 265.317 -1.110 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cnn(C)n1 ZINC001328427665 884988086 /nfs/dbraw/zinc/98/80/86/884988086.db2.gz SNZLVUNWAXRJIR-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)CN2CCOCC2)CC1 ZINC001328518704 884996133 /nfs/dbraw/zinc/99/61/33/884996133.db2.gz DFDVUTJAIGAURM-UHFFFAOYSA-N 1 0 295.383 -1.105 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)CCn2cnnn2)CC1 ZINC001328555195 884998746 /nfs/dbraw/zinc/99/87/46/884998746.db2.gz SKRSTOBKYSMCRY-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO C=C(C)C[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001328543127 885000152 /nfs/dbraw/zinc/00/01/52/885000152.db2.gz VLVUFCODWWLMGT-UHFFFAOYSA-N 1 0 255.318 -1.009 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001328840177 885026567 /nfs/dbraw/zinc/02/65/67/885026567.db2.gz JPDAGNRQVANLEF-BWZBUEFSSA-N 1 0 258.303 -2.094 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCS1(=O)=O ZINC001329098785 885062729 /nfs/dbraw/zinc/06/27/29/885062729.db2.gz CEPWBKJYZRHROH-HRDYMLBCSA-N 1 0 257.315 -1.209 20 30 CAEDRO C[C@H](NC(=O)C(N)=O)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329108919 885064187 /nfs/dbraw/zinc/06/41/87/885064187.db2.gz IUZHTCORJMWTFB-BQBZGAKWSA-N 1 0 255.278 -2.406 20 30 CAEDRO COCC#CC[NH2+]CC1CC(NC(=O)c2nnn(C)n2)C1 ZINC001328898320 885034311 /nfs/dbraw/zinc/03/43/11/885034311.db2.gz UJAPYVXIYIATFA-UHFFFAOYSA-N 1 0 292.343 -1.042 20 30 CAEDRO C#CCCCNC(=O)C(=O)NCCOCC[NH2+]C ZINC001328982057 885041786 /nfs/dbraw/zinc/04/17/86/885041786.db2.gz RGJVUWKXRZARRE-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001328982071 885041926 /nfs/dbraw/zinc/04/19/26/885041926.db2.gz RQIQLEOZSZCDBQ-SNVBAGLBSA-N 1 0 253.302 -1.379 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001328979031 885042176 /nfs/dbraw/zinc/04/21/76/885042176.db2.gz XZBPVIFUOZYWCF-GHMZBOCLSA-N 1 0 280.332 -1.194 20 30 CAEDRO N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001329003499 885047399 /nfs/dbraw/zinc/04/73/99/885047399.db2.gz LSYLAVMPZDYMOK-JOYOIKCWSA-N 1 0 284.291 -1.445 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)NCCOCC[NH2+]C ZINC001329003903 885048317 /nfs/dbraw/zinc/04/83/17/885048317.db2.gz OXLZQVZPYOCFCQ-UHFFFAOYSA-N 1 0 279.340 -1.176 20 30 CAEDRO Cc1nn[nH]c1C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329090374 885058007 /nfs/dbraw/zinc/05/80/07/885058007.db2.gz LCOBPCRBUFEIJG-SFYZADRCSA-N 1 0 293.331 -1.151 20 30 CAEDRO Cc1nn[nH]c1C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329090375 885058961 /nfs/dbraw/zinc/05/89/61/885058961.db2.gz LCOBPCRBUFEIJG-YUMQZZPRSA-N 1 0 293.331 -1.151 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329105657 885060492 /nfs/dbraw/zinc/06/04/92/885060492.db2.gz AZMNVUUAXAFGGV-JGVFFNPUSA-N 1 0 256.306 -1.743 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329108963 885064126 /nfs/dbraw/zinc/06/41/26/885064126.db2.gz JFJWZPHVTJNDRY-JGVFFNPUSA-N 1 0 254.290 -2.296 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001329127460 885068149 /nfs/dbraw/zinc/06/81/49/885068149.db2.gz REXWLJCSDCJDMM-YUMQZZPRSA-N 1 0 299.356 -1.213 20 30 CAEDRO CNS(=O)(=O)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001329143061 885069187 /nfs/dbraw/zinc/06/91/87/885069187.db2.gz RRDJTJBQJPQZAM-SNVBAGLBSA-N 1 0 278.378 -1.668 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CC[C@@H](O)C1 ZINC001329146976 885072142 /nfs/dbraw/zinc/07/21/42/885072142.db2.gz DJVSHSGHETUSFR-OLZOCXBDSA-N 1 0 270.377 -1.151 20 30 CAEDRO N#CCNC(=O)CNC(=[NH2+])NCCCN1CCOCC1 ZINC001329225815 885078942 /nfs/dbraw/zinc/07/89/42/885078942.db2.gz NULKRWNJIROYFC-UHFFFAOYSA-N 1 0 282.348 -1.538 20 30 CAEDRO N#CCNC(=O)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC001329426756 885099903 /nfs/dbraw/zinc/09/99/03/885099903.db2.gz RJSNUXLTWWPYNU-QMMMGPOBSA-N 1 0 255.278 -2.086 20 30 CAEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001329443177 885104263 /nfs/dbraw/zinc/10/42/63/885104263.db2.gz XGEXQEVHCNTIBR-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)NCCOCCC[NH3+] ZINC001329480123 885105913 /nfs/dbraw/zinc/10/59/13/885105913.db2.gz GTGWTCBQIGWVKY-UHFFFAOYSA-N 1 0 279.340 -1.047 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001329570899 885117646 /nfs/dbraw/zinc/11/76/46/885117646.db2.gz FKKRDGNBOWVAJB-VIFPVBQESA-N 1 0 294.311 -1.523 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCN1C1CC1 ZINC001329562250 885117907 /nfs/dbraw/zinc/11/79/07/885117907.db2.gz BUWOGEFYCTXZTQ-PWSUYJOCSA-N 1 0 291.355 -1.255 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC001329612314 885123421 /nfs/dbraw/zinc/12/34/21/885123421.db2.gz LSWCYDKAFPZIRO-LLVKDONJSA-N 1 0 283.328 -1.719 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC001329837806 885146608 /nfs/dbraw/zinc/14/66/08/885146608.db2.gz LCWPFGXFAFQZDO-UHFFFAOYSA-N 1 0 284.360 -1.673 20 30 CAEDRO N#CCC1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001330010444 885166522 /nfs/dbraw/zinc/16/65/22/885166522.db2.gz VBUNGXGGTDKMAT-JTQLQIEISA-N 1 0 280.328 -1.099 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001330035622 885169705 /nfs/dbraw/zinc/16/97/05/885169705.db2.gz QBQZWGDVUDZFPY-UHFFFAOYSA-N 1 0 281.360 -1.102 20 30 CAEDRO C#CCN1CCO[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001330158709 885179146 /nfs/dbraw/zinc/17/91/46/885179146.db2.gz BPOPVSDHVXTBTG-CQSZACIVSA-N 1 0 294.355 -1.019 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC001330526502 885203738 /nfs/dbraw/zinc/20/37/38/885203738.db2.gz RGOODYRBIDJJPS-SECBINFHSA-N 1 0 291.373 -1.573 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1nc2ncccn2n1 ZINC001330590507 885206414 /nfs/dbraw/zinc/20/64/14/885206414.db2.gz BGFARAHKUFFCSJ-SFYZADRCSA-N 1 0 257.257 -1.034 20 30 CAEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001330614840 885215306 /nfs/dbraw/zinc/21/53/06/885215306.db2.gz WHHFYJJWEYWEJN-HAQNSBGRSA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001330870193 885237251 /nfs/dbraw/zinc/23/72/51/885237251.db2.gz LQZVCIRQKLARHG-JTQLQIEISA-N 1 0 281.360 -1.056 20 30 CAEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001330986525 885244999 /nfs/dbraw/zinc/24/49/99/885244999.db2.gz DSPCIAVHSKIERJ-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001330986526 885245691 /nfs/dbraw/zinc/24/56/91/885245691.db2.gz DSPCIAVHSKIERJ-SNVBAGLBSA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001331141468 885251329 /nfs/dbraw/zinc/25/13/29/885251329.db2.gz UKLIACPXNOGLQA-ZJUUUORDSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCNC1=O ZINC001331237095 885269005 /nfs/dbraw/zinc/26/90/05/885269005.db2.gz MIRQEWQMVCMYBK-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC001331254771 885269549 /nfs/dbraw/zinc/26/95/49/885269549.db2.gz PXCRQDZXHDIJPU-LBPRGKRZSA-N 1 0 284.356 -1.040 20 30 CAEDRO N#CCNC(=O)CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331382362 885276737 /nfs/dbraw/zinc/27/67/37/885276737.db2.gz PWKRBQMEOGSGTL-DTORHVGOSA-N 1 0 251.290 -1.228 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001331459098 885280949 /nfs/dbraw/zinc/28/09/49/885280949.db2.gz MYQUSFKFLHCENY-SNVBAGLBSA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001331517250 885283256 /nfs/dbraw/zinc/28/32/56/885283256.db2.gz FDCYQWLVXQCYMV-NSHDSACASA-N 1 0 266.345 -1.512 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(N)=O ZINC001331542897 885287046 /nfs/dbraw/zinc/28/70/46/885287046.db2.gz ISPPMVAUNBNPJX-IUCAKERBSA-N 1 0 270.333 -1.401 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001331544821 885287991 /nfs/dbraw/zinc/28/79/91/885287991.db2.gz RDPCPBSUPJIOKH-JTQLQIEISA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001331588513 885290156 /nfs/dbraw/zinc/29/01/56/885290156.db2.gz JDHOVTPEMBNXLX-SECBINFHSA-N 1 0 291.373 -1.491 20 30 CAEDRO N#CCN1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001331618448 885294631 /nfs/dbraw/zinc/29/46/31/885294631.db2.gz DFSCBDMCIBNNSV-RYUDHWBXSA-N 1 0 291.355 -1.337 20 30 CAEDRO N#CCCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331621075 885295453 /nfs/dbraw/zinc/29/54/53/885295453.db2.gz PNFILIJMXKOUIP-SECBINFHSA-N 1 0 254.290 -1.489 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)COC ZINC001331661764 885299047 /nfs/dbraw/zinc/29/90/47/885299047.db2.gz DOHGCNXQQLVNDT-ZJUUUORDSA-N 1 0 271.317 -2.163 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O ZINC001331661671 885300807 /nfs/dbraw/zinc/30/08/07/885300807.db2.gz CGWYGAAZQNMLOB-SNVBAGLBSA-N 1 0 284.316 -3.061 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001331664291 885303243 /nfs/dbraw/zinc/30/32/43/885303243.db2.gz HTAKWTZFPZVFGI-LLVKDONJSA-N 1 0 284.312 -1.409 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCOCC1 ZINC001331664305 885302774 /nfs/dbraw/zinc/30/27/74/885302774.db2.gz MHWNOOKDXULARJ-GFCCVEGCSA-N 1 0 297.355 -1.771 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001331667000 885302805 /nfs/dbraw/zinc/30/28/05/885302805.db2.gz PBGPCYQWFPRSSC-SECBINFHSA-N 1 0 298.299 -2.419 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CNC(C)=O ZINC001331663412 885303035 /nfs/dbraw/zinc/30/30/35/885303035.db2.gz JAGSKTPPDGHHHK-GXSJLCMTSA-N 1 0 298.343 -2.673 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc[nH]1 ZINC001331664334 885303777 /nfs/dbraw/zinc/30/37/77/885303777.db2.gz IANOVKBECVXEJS-SNVBAGLBSA-N 1 0 280.328 -1.003 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001331667009 885304704 /nfs/dbraw/zinc/30/47/04/885304704.db2.gz PBGPCYQWFPRSSC-VIFPVBQESA-N 1 0 298.299 -2.419 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)C(C)C ZINC001331835412 885355503 /nfs/dbraw/zinc/35/55/03/885355503.db2.gz MAORJYNYQHOYFN-NSHDSACASA-N 1 0 290.385 -1.100 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001331685202 885310101 /nfs/dbraw/zinc/31/01/01/885310101.db2.gz RCANVGPSDMOFFA-NXEZZACHSA-N 1 0 255.318 -1.092 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)NCC#N ZINC001331682363 885312181 /nfs/dbraw/zinc/31/21/81/885312181.db2.gz HMEQPPZKEKIAJD-GHMZBOCLSA-N 1 0 297.359 -2.213 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC(F)(F)F ZINC001331680417 885312289 /nfs/dbraw/zinc/31/22/89/885312289.db2.gz CWUYKTDQKXEQHJ-SSDOTTSWSA-N 1 0 296.249 -1.355 20 30 CAEDRO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CSCC#N ZINC001331687192 885313743 /nfs/dbraw/zinc/31/37/43/885313743.db2.gz YUBCALCBYZNQDD-MRVPVSSYSA-N 1 0 274.346 -1.944 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001331695699 885314391 /nfs/dbraw/zinc/31/43/91/885314391.db2.gz IXWHJSANPVQEKK-GFCCVEGCSA-N 1 0 269.345 -1.591 20 30 CAEDRO CNC(=O)C[NH2+][C@H](CO)CNC(=O)CSCC#N ZINC001331687193 885315395 /nfs/dbraw/zinc/31/53/95/885315395.db2.gz YUBCALCBYZNQDD-QMMMGPOBSA-N 1 0 274.346 -1.944 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001331704422 885318709 /nfs/dbraw/zinc/31/87/09/885318709.db2.gz FZIUGHCHIOXYLF-VHSXEESVSA-N 1 0 255.318 -1.270 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1(C)CC1 ZINC001331723952 885321341 /nfs/dbraw/zinc/32/13/41/885321341.db2.gz GHMIICAQGPSGOQ-SNVBAGLBSA-N 1 0 267.329 -1.397 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001331712775 885321885 /nfs/dbraw/zinc/32/18/85/885321885.db2.gz SNPLJQINADYJHS-NXEZZACHSA-N 1 0 298.343 -1.704 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001331712781 885321933 /nfs/dbraw/zinc/32/19/33/885321933.db2.gz SNPLJQINADYJHS-UWVGGRQHSA-N 1 0 298.343 -1.704 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1(C)CC1 ZINC001331723950 885322272 /nfs/dbraw/zinc/32/22/72/885322272.db2.gz GHMIICAQGPSGOQ-JTQLQIEISA-N 1 0 267.329 -1.397 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001331724064 885322315 /nfs/dbraw/zinc/32/23/15/885322315.db2.gz BVUJITKQOJWIIZ-VXGBXAGGSA-N 1 0 281.356 -1.007 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001331724062 885322506 /nfs/dbraw/zinc/32/25/06/885322506.db2.gz BVUJITKQOJWIIZ-RYUDHWBXSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001331712785 885323053 /nfs/dbraw/zinc/32/30/53/885323053.db2.gz SPBOHVGBCMQWJH-VIFPVBQESA-N 1 0 296.331 -1.980 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001331725142 885323588 /nfs/dbraw/zinc/32/35/88/885323588.db2.gz LQOMMUBIDQTQLL-SNVBAGLBSA-N 1 0 278.312 -1.516 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001331725215 885324568 /nfs/dbraw/zinc/32/45/68/885324568.db2.gz NHUQVCRJCWUWKS-WDEREUQCSA-N 1 0 295.339 -1.386 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001331724060 885324587 /nfs/dbraw/zinc/32/45/87/885324587.db2.gz BVUJITKQOJWIIZ-NEPJUHHUSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001331725033 885324647 /nfs/dbraw/zinc/32/46/47/885324647.db2.gz JQEYEJOLVDCKBQ-OLZOCXBDSA-N 1 0 283.372 -1.467 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001331738726 885326159 /nfs/dbraw/zinc/32/61/59/885326159.db2.gz ICOMZZYBIDGUFI-IUCAKERBSA-N 1 0 262.331 -1.881 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001331738725 885327404 /nfs/dbraw/zinc/32/74/04/885327404.db2.gz ICOMZZYBIDGUFI-DTWKUNHWSA-N 1 0 262.331 -1.881 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CNC(=O)NC ZINC001331727421 885327837 /nfs/dbraw/zinc/32/78/37/885327837.db2.gz YRYJXPFDSOMKLM-SECBINFHSA-N 1 0 258.322 -1.442 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001331738829 885328394 /nfs/dbraw/zinc/32/83/94/885328394.db2.gz DLLFFPVVDXKWEJ-UWVGGRQHSA-N 1 0 274.342 -1.879 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001331738381 885328826 /nfs/dbraw/zinc/32/88/26/885328826.db2.gz HGLSEDKTJRQFCE-SNVBAGLBSA-N 1 0 296.327 -1.246 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccnc2n[nH]nc21 ZINC001331742001 885331202 /nfs/dbraw/zinc/33/12/02/885331202.db2.gz ZUICGRVQZQQEPE-MRVPVSSYSA-N 1 0 274.284 -1.334 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001331742270 885331292 /nfs/dbraw/zinc/33/12/92/885331292.db2.gz YPHOWZLZHAXAHA-SNVBAGLBSA-N 1 0 274.342 -1.879 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)CC(C)C ZINC001331740143 885331493 /nfs/dbraw/zinc/33/14/93/885331493.db2.gz OBYBXJFQTSQNQN-LLVKDONJSA-N 1 0 290.385 -1.243 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccnc2n[nH]nc21 ZINC001331742002 885332832 /nfs/dbraw/zinc/33/28/32/885332832.db2.gz ZUICGRVQZQQEPE-QMMMGPOBSA-N 1 0 274.284 -1.334 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001331739575 885333159 /nfs/dbraw/zinc/33/31/59/885333159.db2.gz JYOOIALEARVCGW-MRVPVSSYSA-N 1 0 277.271 -1.542 20 30 CAEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001331754123 885335202 /nfs/dbraw/zinc/33/52/02/885335202.db2.gz NXEGCMBPOSSXDN-OUAUKWLOSA-N 1 0 280.328 -1.006 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001331755109 885337823 /nfs/dbraw/zinc/33/78/23/885337823.db2.gz WSDSQVZVWPMEAI-NSHDSACASA-N 1 0 295.339 -1.529 20 30 CAEDRO N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)cc1F ZINC001331773688 885339516 /nfs/dbraw/zinc/33/95/16/885339516.db2.gz HNMRKDRCZKEMFX-SNVBAGLBSA-N 1 0 294.286 -1.251 20 30 CAEDRO N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)cc1F ZINC001331773687 885340405 /nfs/dbraw/zinc/34/04/05/885340405.db2.gz HNMRKDRCZKEMFX-JTQLQIEISA-N 1 0 294.286 -1.251 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC001331761909 885341665 /nfs/dbraw/zinc/34/16/65/885341665.db2.gz LYEQKIMDEUXDNR-NSHDSACASA-N 1 0 283.328 -1.671 20 30 CAEDRO C=C(Cl)CN[C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001331773366 885342166 /nfs/dbraw/zinc/34/21/66/885342166.db2.gz USQQVRVFJWDITP-IUCAKERBSA-N 1 0 275.736 -1.058 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001331788069 885348422 /nfs/dbraw/zinc/34/84/22/885348422.db2.gz OZTWBDRYLDXBFV-AEJSXWLSSA-N 1 0 296.327 -3.076 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331787946 885348514 /nfs/dbraw/zinc/34/85/14/885348514.db2.gz NRMDKTXTGWRPRA-LPEHRKFASA-N 1 0 269.301 -2.281 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O)nc1 ZINC001331825794 885349917 /nfs/dbraw/zinc/34/99/17/885349917.db2.gz RIGLWEOHGBQZNF-MWLCHTKSSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001331820117 885350120 /nfs/dbraw/zinc/35/01/20/885350120.db2.gz QHYYVPQORQIMCY-SECBINFHSA-N 1 0 261.285 -1.024 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)nn1 ZINC001331806515 885350374 /nfs/dbraw/zinc/35/03/74/885350374.db2.gz XRJWQFXWUNVPPU-VIFPVBQESA-N 1 0 296.331 -2.110 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O)cn1 ZINC001331823348 885350960 /nfs/dbraw/zinc/35/09/60/885350960.db2.gz FCCROXXFKXCLBX-JOYOIKCWSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001331806546 885351721 /nfs/dbraw/zinc/35/17/21/885351721.db2.gz WVJHVLGOAHSXPD-QMMMGPOBSA-N 1 0 295.261 -1.245 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O)cn1 ZINC001331823334 885352116 /nfs/dbraw/zinc/35/21/16/885352116.db2.gz FCCROXXFKXCLBX-BXKDBHETSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O)nc1 ZINC001331825790 885352158 /nfs/dbraw/zinc/35/21/58/885352158.db2.gz RIGLWEOHGBQZNF-GXSJLCMTSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001331825036 885353277 /nfs/dbraw/zinc/35/32/77/885353277.db2.gz MOBRWJOZDSEVLZ-JTQLQIEISA-N 1 0 296.327 -1.982 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1nocc1C ZINC001331826578 885353693 /nfs/dbraw/zinc/35/36/93/885353693.db2.gz UUAPAZQWFUMYIK-SNVBAGLBSA-N 1 0 294.311 -1.587 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001331834524 885354782 /nfs/dbraw/zinc/35/47/82/885354782.db2.gz IIUGPVLPGHXKOS-SECBINFHSA-N 1 0 269.301 -1.612 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCCN1C(=O)CNC1=O ZINC001331835736 885356610 /nfs/dbraw/zinc/35/66/10/885356610.db2.gz NOELVHNGDLPHMG-JTQLQIEISA-N 1 0 296.327 -1.982 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COC)[C@@H]1C ZINC001331841755 885357771 /nfs/dbraw/zinc/35/77/71/885357771.db2.gz NIWFEYRTUHQCER-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(CC)CC[NH3+] ZINC001331853679 885362006 /nfs/dbraw/zinc/36/20/06/885362006.db2.gz WDYKREJYXQTGMF-SNVBAGLBSA-N 1 0 253.302 -1.346 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(CC)CC[NH3+] ZINC001331853678 885362130 /nfs/dbraw/zinc/36/21/30/885362130.db2.gz WDYKREJYXQTGMF-JTQLQIEISA-N 1 0 253.302 -1.346 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001331898657 885363535 /nfs/dbraw/zinc/36/35/35/885363535.db2.gz YFWYGAGYPWBCFX-CMPLNLGQSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1C ZINC001331926727 885363772 /nfs/dbraw/zinc/36/37/72/885363772.db2.gz NQVMBBJOFRXZIY-ZJUUUORDSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C ZINC001331926726 885364739 /nfs/dbraw/zinc/36/47/39/885364739.db2.gz NQVMBBJOFRXZIY-VHSXEESVSA-N 1 0 290.327 -1.253 20 30 CAEDRO COC[C@H](C)OC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001331970144 885367812 /nfs/dbraw/zinc/36/78/12/885367812.db2.gz HDRSENNBNFJGMH-VHSXEESVSA-N 1 0 259.306 -1.372 20 30 CAEDRO COC[C@@H](C)OC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001331970136 885368939 /nfs/dbraw/zinc/36/89/39/885368939.db2.gz HDRSENNBNFJGMH-NXEZZACHSA-N 1 0 259.306 -1.372 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)[C@H](C[NH3+])C1 ZINC001331980269 885372157 /nfs/dbraw/zinc/37/21/57/885372157.db2.gz GUYNYUYPRSYPHE-NWDGAFQWSA-N 1 0 293.371 -1.150 20 30 CAEDRO CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1[NH3+] ZINC001332000749 885373356 /nfs/dbraw/zinc/37/33/56/885373356.db2.gz MLLJODDQTIWXPR-NXEZZACHSA-N 1 0 280.328 -1.067 20 30 CAEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001332039015 885373596 /nfs/dbraw/zinc/37/35/96/885373596.db2.gz HTUUQIDIDGIYOK-ZYHUDNBSSA-N 1 0 293.371 -1.009 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)[C@H](C[NH3+])C1 ZINC001331980275 885374920 /nfs/dbraw/zinc/37/49/20/885374920.db2.gz GUYNYUYPRSYPHE-VXGBXAGGSA-N 1 0 293.371 -1.150 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001332416779 885407034 /nfs/dbraw/zinc/40/70/34/885407034.db2.gz IWCCIZIVZSLQLM-UTUOFQBUSA-N 1 0 279.340 -1.100 20 30 CAEDRO CCCC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001332469713 885410636 /nfs/dbraw/zinc/41/06/36/885410636.db2.gz HBZLERCNDOEYIZ-JTQLQIEISA-N 1 0 270.333 -1.165 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001332434896 885411041 /nfs/dbraw/zinc/41/10/41/885411041.db2.gz XLYICLYLEIAOHC-XQQFMLRXSA-N 1 0 291.351 -1.085 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C(C)(C)F ZINC001332472468 885413584 /nfs/dbraw/zinc/41/35/84/885413584.db2.gz RFIAAORNQHKXJE-SECBINFHSA-N 1 0 288.323 -1.217 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001332488321 885413591 /nfs/dbraw/zinc/41/35/91/885413591.db2.gz DHIOVGFXVZYDFO-RYUDHWBXSA-N 1 0 299.371 -1.266 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001332488371 885413860 /nfs/dbraw/zinc/41/38/60/885413860.db2.gz DTQYSANMVYTILF-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO CCC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001332472967 885414053 /nfs/dbraw/zinc/41/40/53/885414053.db2.gz ZOKDLXZKMXURLU-VIFPVBQESA-N 1 0 256.306 -1.555 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001332503620 885415813 /nfs/dbraw/zinc/41/58/13/885415813.db2.gz JSDVQTHBWUKBOV-JTQLQIEISA-N 1 0 265.317 -1.139 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001332502224 885416223 /nfs/dbraw/zinc/41/62/23/885416223.db2.gz ASTHPADFXLPWCO-SNVBAGLBSA-N 1 0 265.317 -1.139 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001332549744 885418560 /nfs/dbraw/zinc/41/85/60/885418560.db2.gz CZRXUYPTEDSXBZ-QMMMGPOBSA-N 1 0 254.294 -1.581 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001332530881 885418942 /nfs/dbraw/zinc/41/89/42/885418942.db2.gz XLXBHGKIIQSBFG-SNVBAGLBSA-N 1 0 264.285 -1.162 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn2nnnc2c1 ZINC001332551086 885418837 /nfs/dbraw/zinc/41/88/37/885418837.db2.gz JBOOSEVADGYXMQ-NSHDSACASA-N 1 0 288.311 -1.220 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(=O)C1CC1 ZINC001332523424 885418897 /nfs/dbraw/zinc/41/88/97/885418897.db2.gz VFPSVUVTKHCWME-LBPRGKRZSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(=O)C1CC1 ZINC001332523423 885419024 /nfs/dbraw/zinc/41/90/24/885419024.db2.gz VFPSVUVTKHCWME-GFCCVEGCSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001332530220 885419107 /nfs/dbraw/zinc/41/91/07/885419107.db2.gz SJSQTFJGIQTEMU-UWVGGRQHSA-N 1 0 276.358 -1.538 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332549625 885419130 /nfs/dbraw/zinc/41/91/30/885419130.db2.gz BWQAECNAMQWVNU-VHSXEESVSA-N 1 0 255.318 -1.283 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332549622 885419146 /nfs/dbraw/zinc/41/91/46/885419146.db2.gz BWQAECNAMQWVNU-NXEZZACHSA-N 1 0 255.318 -1.283 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001332565720 885421460 /nfs/dbraw/zinc/42/14/60/885421460.db2.gz HBNXTCGINXDVPB-FZMZJTMJSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001332560534 885421335 /nfs/dbraw/zinc/42/13/35/885421335.db2.gz JRNLMLSLIJIGHE-NNYUYHANSA-N 1 0 252.314 -1.079 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccoc1CC(N)=O ZINC001332561876 885421849 /nfs/dbraw/zinc/42/18/49/885421849.db2.gz RQLFBWLCBUBCCM-JTQLQIEISA-N 1 0 293.323 -1.037 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001332576236 885423086 /nfs/dbraw/zinc/42/30/86/885423086.db2.gz ZHXYCLFDAAUDJA-MXWKQRLJSA-N 1 0 267.329 -1.460 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001332585739 885424492 /nfs/dbraw/zinc/42/44/92/885424492.db2.gz DCILPMUCHQQWJQ-JTQLQIEISA-N 1 0 266.305 -1.895 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001332604424 885426446 /nfs/dbraw/zinc/42/64/46/885426446.db2.gz AJIIPHLGEQXGEG-JTQLQIEISA-N 1 0 291.373 -2.032 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001332608779 885427339 /nfs/dbraw/zinc/42/73/39/885427339.db2.gz YQZIRBDRMJDSTG-NSHDSACASA-N 1 0 294.355 -1.230 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001332631235 885429450 /nfs/dbraw/zinc/42/94/50/885429450.db2.gz FYQXNIXSSVGYGE-NSHDSACASA-N 1 0 292.339 -1.222 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332647409 885429610 /nfs/dbraw/zinc/42/96/10/885429610.db2.gz KFNPAWTYHNWUQS-NEPJUHHUSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332664644 885429686 /nfs/dbraw/zinc/42/96/86/885429686.db2.gz MMBAKMCTAUALCX-LBPRGKRZSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001332618801 885430262 /nfs/dbraw/zinc/43/02/62/885430262.db2.gz MMZBPRKAJSEYMK-GHMZBOCLSA-N 1 0 267.329 -1.351 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001332631233 885430761 /nfs/dbraw/zinc/43/07/61/885430761.db2.gz FYQXNIXSSVGYGE-LLVKDONJSA-N 1 0 292.339 -1.222 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332647429 885430978 /nfs/dbraw/zinc/43/09/78/885430978.db2.gz KFNPAWTYHNWUQS-VXGBXAGGSA-N 1 0 281.356 -1.103 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001332676832 885433499 /nfs/dbraw/zinc/43/34/99/885433499.db2.gz FLSQXUKWXORXMK-JTQLQIEISA-N 1 0 272.349 -1.018 20 30 CAEDRO COCC[NH2+]CCNC(=O)Cn1cnc(C#N)n1 ZINC001332723918 885437201 /nfs/dbraw/zinc/43/72/01/885437201.db2.gz MSLSKDXWFFAVNQ-UHFFFAOYSA-N 1 0 252.278 -1.498 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001332891362 885446595 /nfs/dbraw/zinc/44/65/95/885446595.db2.gz AXWRHGXDBBVHDC-FZMZJTMJSA-N 1 0 295.339 -1.841 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001332893393 885447316 /nfs/dbraw/zinc/44/73/16/885447316.db2.gz MIQIORVEQJYKOL-LBPRGKRZSA-N 1 0 253.302 -1.610 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)C(N)=O)CC1 ZINC001332961473 885449381 /nfs/dbraw/zinc/44/93/81/885449381.db2.gz XJPIHZFINGLVBH-SNVBAGLBSA-N 1 0 294.355 -1.562 20 30 CAEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001333164940 885460543 /nfs/dbraw/zinc/46/05/43/885460543.db2.gz AIDPSOZEZDVCMN-CMPLNLGQSA-N 1 0 293.371 -1.091 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1C1CC1 ZINC001333169040 885461159 /nfs/dbraw/zinc/46/11/59/885461159.db2.gz ZDIIBQQQOAFBJE-JQWIXIFHSA-N 1 0 291.355 -1.337 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001333423679 885481732 /nfs/dbraw/zinc/48/17/32/885481732.db2.gz FUSMEPXPDZRIJP-QMMMGPOBSA-N 1 0 252.274 -1.734 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(C)CCC[NH3+])nn1 ZINC001333548785 885491115 /nfs/dbraw/zinc/49/11/15/885491115.db2.gz PFIIULRKGGXSOF-UHFFFAOYSA-N 1 0 280.332 -1.113 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333886081 885509846 /nfs/dbraw/zinc/50/98/46/885509846.db2.gz YVKRRORQADIBOP-UWVGGRQHSA-N 1 0 253.302 -1.122 20 30 CAEDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001333979060 885515642 /nfs/dbraw/zinc/51/56/42/885515642.db2.gz IRPODWSYNKIJAX-GFCCVEGCSA-N 1 0 293.371 -1.089 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1[NH3+] ZINC001334386844 885539005 /nfs/dbraw/zinc/53/90/05/885539005.db2.gz MSUZOJMETNCITF-KXUCPTDWSA-N 1 0 266.301 -1.457 20 30 CAEDRO CN1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001334447827 885546252 /nfs/dbraw/zinc/54/62/52/885546252.db2.gz DYRKKBBVOLMWNX-NXEZZACHSA-N 1 0 266.301 -1.442 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC001334778415 885564472 /nfs/dbraw/zinc/56/44/72/885564472.db2.gz WCSVVKIKUUHPQX-LBPRGKRZSA-N 1 0 288.369 -1.081 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC001334778411 885564905 /nfs/dbraw/zinc/56/49/05/885564905.db2.gz WCSVVKIKUUHPQX-GFCCVEGCSA-N 1 0 288.369 -1.081 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001335189441 885588406 /nfs/dbraw/zinc/58/84/06/885588406.db2.gz WTPJLWUFPAFAEM-ZDUSSCGKSA-N 1 0 299.396 -1.219 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001335215505 885593805 /nfs/dbraw/zinc/59/38/05/885593805.db2.gz DPITUWJBAREMTE-UHFFFAOYSA-N 1 0 285.344 -1.071 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001335224901 885595383 /nfs/dbraw/zinc/59/53/83/885595383.db2.gz UIMSTUFENIKMDY-MNOVXSKESA-N 1 0 267.329 -1.276 20 30 CAEDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001335251976 885598897 /nfs/dbraw/zinc/59/88/97/885598897.db2.gz IZIWNPARPGXQFN-NXEZZACHSA-N 1 0 280.328 -1.148 20 30 CAEDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001335251982 885599292 /nfs/dbraw/zinc/59/92/92/885599292.db2.gz IZIWNPARPGXQFN-ZJUUUORDSA-N 1 0 280.328 -1.148 20 30 CAEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335241344 885600080 /nfs/dbraw/zinc/60/00/80/885600080.db2.gz PVDMVTVUVAIAGV-NWDGAFQWSA-N 1 0 293.371 -1.184 20 30 CAEDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001335251980 885600603 /nfs/dbraw/zinc/60/06/03/885600603.db2.gz IZIWNPARPGXQFN-VHSXEESVSA-N 1 0 280.328 -1.148 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC001335274919 885603724 /nfs/dbraw/zinc/60/37/24/885603724.db2.gz AWMPJHIBKONWEV-UWVGGRQHSA-N 1 0 282.300 -2.158 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001335284129 885605882 /nfs/dbraw/zinc/60/58/82/885605882.db2.gz YKIFHHQZVMPMDQ-ZJUUUORDSA-N 1 0 251.286 -1.675 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CC3(C2)NC(=O)NC3=O)CC1 ZINC001335361900 885616667 /nfs/dbraw/zinc/61/66/67/885616667.db2.gz OPTJIUSOKJRZNN-UHFFFAOYSA-N 1 0 290.323 -1.248 20 30 CAEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001335380088 885616771 /nfs/dbraw/zinc/61/67/71/885616771.db2.gz QTDGMJGHDAODOE-LBPRGKRZSA-N 1 0 286.307 -1.116 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CC1(C(N)=O)CCOCC1 ZINC001335395917 885617956 /nfs/dbraw/zinc/61/79/56/885617956.db2.gz YABJSOHMGJUVJF-UHFFFAOYSA-N 1 0 267.329 -1.002 20 30 CAEDRO CN1CCN(C(=O)NCC(=O)NCC#N)CC[N@H+](C)CC1 ZINC001335544429 885623405 /nfs/dbraw/zinc/62/34/05/885623405.db2.gz UWNDEQSNCFOAGL-UHFFFAOYSA-N 1 0 296.375 -1.485 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCO1 ZINC001336118198 885649443 /nfs/dbraw/zinc/64/94/43/885649443.db2.gz FZIMPAWLUKBUNB-ZDUSSCGKSA-N 1 0 280.328 -1.051 20 30 CAEDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001336295883 885655786 /nfs/dbraw/zinc/65/57/86/885655786.db2.gz RGMUQHSXLXPOFS-MFKMUULPSA-N 1 0 298.318 -1.103 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)CC[NH2+]1 ZINC001336298745 885656462 /nfs/dbraw/zinc/65/64/62/885656462.db2.gz GGTGCYPCQSFBCJ-ZWNOBZJWSA-N 1 0 280.328 -1.052 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC001336299830 885657292 /nfs/dbraw/zinc/65/72/92/885657292.db2.gz JKFRVLJQZAQAGV-OUJBWJOFSA-N 1 0 278.312 -1.300 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001336528098 885661738 /nfs/dbraw/zinc/66/17/38/885661738.db2.gz XFYAKTHNXBBJLO-SECBINFHSA-N 1 0 251.286 -1.280 20 30 CAEDRO N#C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC001336586508 885669430 /nfs/dbraw/zinc/66/94/30/885669430.db2.gz JHFMOVABKDIBPW-LBPRGKRZSA-N 1 0 293.371 -1.230 20 30 CAEDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001336607215 885672609 /nfs/dbraw/zinc/67/26/09/885672609.db2.gz XKVOCDIIMIDSFM-OUAUKWLOSA-N 1 0 280.328 -1.291 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336650152 885675964 /nfs/dbraw/zinc/67/59/64/885675964.db2.gz QOVHMKLLFYDURP-WISYIIOYSA-N 1 0 277.324 -1.144 20 30 CAEDRO C[NH2+]CCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001337471300 885702215 /nfs/dbraw/zinc/70/22/15/885702215.db2.gz NRTSTGBZBNRXAT-NSHDSACASA-N 1 0 279.344 -1.479 20 30 CAEDRO C#CCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001338280131 885735823 /nfs/dbraw/zinc/73/58/23/885735823.db2.gz QDMLDBKXFZAIPY-UHFFFAOYSA-N 1 0 266.345 -1.463 20 30 CAEDRO N#CCNC(=O)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC001338519641 885749981 /nfs/dbraw/zinc/74/99/81/885749981.db2.gz NOJKWTSSBGGCIT-JTQLQIEISA-N 1 0 266.301 -1.537 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCC1N=NC(=S)N1C ZINC001340046230 885787698 /nfs/dbraw/zinc/78/76/98/885787698.db2.gz MYDVNKUUDZOYJV-UHFFFAOYSA-N 1 0 253.331 -1.015 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC001340080924 885791983 /nfs/dbraw/zinc/79/19/83/885791983.db2.gz YNIHGTBRASXOKH-NSHDSACASA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCNCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001341367143 885833838 /nfs/dbraw/zinc/83/38/38/885833838.db2.gz KLLVBTWJHRMIGG-UHFFFAOYSA-N 1 0 268.361 -1.312 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001341380096 885836927 /nfs/dbraw/zinc/83/69/27/885836927.db2.gz FXJHVKIKCHBZKD-UHFFFAOYSA-N 1 0 292.383 -1.024 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001341383375 885839406 /nfs/dbraw/zinc/83/94/06/885839406.db2.gz LWVPWDBJOBIIHF-UHFFFAOYSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC(OCC(N)=O)CC1 ZINC001341514624 885841673 /nfs/dbraw/zinc/84/16/73/885841673.db2.gz HQXYEUVRCJXEBX-UHFFFAOYSA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCC(=O)NCCC(=O)OC ZINC001341472686 885842218 /nfs/dbraw/zinc/84/22/18/885842218.db2.gz MIFNHHNHVWXHKM-UHFFFAOYSA-N 1 0 269.301 -1.605 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001341530832 885844174 /nfs/dbraw/zinc/84/41/74/885844174.db2.gz YNPYPYIXRRPFQG-CYBMUJFWSA-N 1 0 281.312 -2.047 20 30 CAEDRO CS(=O)(=O)C1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001341649395 885848147 /nfs/dbraw/zinc/84/81/47/885848147.db2.gz KEZBCECPNODOCZ-YUMQZZPRSA-N 1 0 257.315 -1.209 20 30 CAEDRO CS(=O)(=O)C1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001341649392 885848258 /nfs/dbraw/zinc/84/82/58/885848258.db2.gz KEZBCECPNODOCZ-HTQZYQBOSA-N 1 0 257.315 -1.209 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC001341673619 885852778 /nfs/dbraw/zinc/85/27/78/885852778.db2.gz HZGCKDUMFVZZHS-SNVBAGLBSA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001342068144 885869639 /nfs/dbraw/zinc/86/96/39/885869639.db2.gz PAZITIVPIXBFOX-NSHDSACASA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[NH2+]CC(=O)NCC[C@H]1CNCCS1(=O)=O ZINC001342432382 885886598 /nfs/dbraw/zinc/88/65/98/885886598.db2.gz VCOZQYLLQXKTIO-JTQLQIEISA-N 1 0 273.358 -1.898 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001342870988 885901381 /nfs/dbraw/zinc/90/13/81/885901381.db2.gz YWOQFWBHPTYCLO-AOOOYVTPSA-N 1 0 256.327 -1.288 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CC[C@H](S(=O)(=O)NC)C1 ZINC001342243565 885878720 /nfs/dbraw/zinc/87/87/20/885878720.db2.gz LILCESBNDAUTTH-VIFPVBQESA-N 1 0 259.331 -1.641 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001342311446 885882589 /nfs/dbraw/zinc/88/25/89/885882589.db2.gz CGWHYNNWHZJWIH-UHFFFAOYSA-N 1 0 294.355 -1.594 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001342773879 885897802 /nfs/dbraw/zinc/89/78/02/885897802.db2.gz NCKTUMBWJDEMCS-ZYHUDNBSSA-N 1 0 281.337 -1.394 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@](O)(C(N)=O)C2)CC1 ZINC001343450110 885916708 /nfs/dbraw/zinc/91/67/08/885916708.db2.gz DGFDJMHRQLNVMF-AWEZNQCLSA-N 1 0 279.340 -1.220 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001344434840 885941284 /nfs/dbraw/zinc/94/12/84/885941284.db2.gz FERQAFSRZXGFMU-GFCCVEGCSA-N 1 0 267.285 -1.453 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001344434842 885941640 /nfs/dbraw/zinc/94/16/40/885941640.db2.gz FERQAFSRZXGFMU-LBPRGKRZSA-N 1 0 267.285 -1.453 20 30 CAEDRO C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC001344831256 885952478 /nfs/dbraw/zinc/95/24/78/885952478.db2.gz QTUGKKYULFQPPK-NSHDSACASA-N 1 0 280.328 -1.052 20 30 CAEDRO N#C[C@@]12CN(C(=O)[C@H]3CC[NH2+]3)C[C@@H]1CS(=O)(=O)C2 ZINC001345097683 885954937 /nfs/dbraw/zinc/95/49/37/885954937.db2.gz YWWYWQQZAFHZEI-KKZNHRDASA-N 1 0 269.326 -1.255 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCC(=O)N(C)C)CC1 ZINC001345079774 885956289 /nfs/dbraw/zinc/95/62/89/885956289.db2.gz KVXBOEIQFUQNAT-UHFFFAOYSA-N 1 0 296.371 -1.043 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)nn1 ZINC001345594599 885961534 /nfs/dbraw/zinc/96/15/34/885961534.db2.gz GOFOCLANZABEEV-SNVBAGLBSA-N 1 0 292.343 -1.113 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(C)CC[NH2+]C)nn1 ZINC001345595583 885962715 /nfs/dbraw/zinc/96/27/15/885962715.db2.gz MDHGGZPKTCIWCQ-UHFFFAOYSA-N 1 0 280.332 -1.242 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001345899112 885974194 /nfs/dbraw/zinc/97/41/94/885974194.db2.gz JMZKCWIHBXPHHT-NSHDSACASA-N 1 0 285.344 -1.248 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001346005449 885978179 /nfs/dbraw/zinc/97/81/79/885978179.db2.gz DTPUJHGXDYADTB-GRYCIOLGSA-N 1 0 279.340 -1.181 20 30 CAEDRO C[C@@H](NC(=O)NCC#CCO)[C@@H]1C[N@H+](C)CCN1C ZINC001346042755 885982494 /nfs/dbraw/zinc/98/24/94/885982494.db2.gz AYZPBLFPMQIZBX-NEPJUHHUSA-N 1 0 268.361 -1.084 20 30 CAEDRO C[C@@H](NC(=O)NCC#CCO)[C@H]1C[N@H+](C)CCN1C ZINC001346042765 885982557 /nfs/dbraw/zinc/98/25/57/885982557.db2.gz AYZPBLFPMQIZBX-VXGBXAGGSA-N 1 0 268.361 -1.084 20 30 CAEDRO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001346047808 885985757 /nfs/dbraw/zinc/98/57/57/885985757.db2.gz WFYZTKRUFLBLEX-MNOVXSKESA-N 1 0 295.343 -1.753 20 30 CAEDRO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001346047807 885986020 /nfs/dbraw/zinc/98/60/20/885986020.db2.gz WFYZTKRUFLBLEX-GHMZBOCLSA-N 1 0 295.343 -1.753 20 30 CAEDRO CN1CC(=O)N(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001346047381 885986056 /nfs/dbraw/zinc/98/60/56/885986056.db2.gz RSYLVFNVWOAAEV-HTQZYQBOSA-N 1 0 265.273 -1.892 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001347087528 886025561 /nfs/dbraw/zinc/02/55/61/886025561.db2.gz YARUTJZPHAYIJI-PHIMTYICSA-N 1 0 267.329 -1.017 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001347085761 886027439 /nfs/dbraw/zinc/02/74/39/886027439.db2.gz LQDZAHXNSOKGIA-LLVKDONJSA-N 1 0 285.344 -1.119 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC001348345490 886075414 /nfs/dbraw/zinc/07/54/14/886075414.db2.gz VDHDJIHRZHAQCE-RKDXNWHRSA-N 1 0 252.274 -1.785 20 30 CAEDRO C=CCn1cc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)nn1 ZINC001349130934 886116029 /nfs/dbraw/zinc/11/60/29/886116029.db2.gz HZYRDLBKDULMPR-LLVKDONJSA-N 1 0 292.343 -1.052 20 30 CAEDRO C=C[C@@H](COC)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349899133 886155129 /nfs/dbraw/zinc/15/51/29/886155129.db2.gz IUXXBDGPAUFQNE-SDDRHHMPSA-N 1 0 297.355 -1.419 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC001350091981 886160245 /nfs/dbraw/zinc/16/02/45/886160245.db2.gz CDFZIQJSWTUGFV-ZJUUUORDSA-N 1 0 266.301 -1.313 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC001350091980 886161523 /nfs/dbraw/zinc/16/15/23/886161523.db2.gz CDFZIQJSWTUGFV-NXEZZACHSA-N 1 0 266.301 -1.313 20 30 CAEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001350395222 886171800 /nfs/dbraw/zinc/17/18/00/886171800.db2.gz VNSJBNMUROSSFB-AEJSXWLSSA-N 1 0 276.358 -1.185 20 30 CAEDRO C[NH+]1CCC(C#N)(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001350578599 886178278 /nfs/dbraw/zinc/17/82/78/886178278.db2.gz GUFLBSUVCPETMM-UHFFFAOYSA-N 1 0 279.344 -1.478 20 30 CAEDRO N#C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001351545428 886210980 /nfs/dbraw/zinc/21/09/80/886210980.db2.gz KMMYRDQAEUJDBV-NXEZZACHSA-N 1 0 254.290 -1.091 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001351552335 886212428 /nfs/dbraw/zinc/21/24/28/886212428.db2.gz PDAOWDRDLIUWLT-SECBINFHSA-N 1 0 255.343 -1.053 20 30 CAEDRO C[NH2+]CCOCCNC(=O)C(=O)NCCCC#N ZINC001351578308 886215236 /nfs/dbraw/zinc/21/52/36/886215236.db2.gz HBIJTMGPTCNKQH-UHFFFAOYSA-N 1 0 256.306 -1.241 20 30 CAEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001351986521 886234921 /nfs/dbraw/zinc/23/49/21/886234921.db2.gz WASBGMUWSZFWIU-OPRDCNLKSA-N 1 0 266.301 -1.315 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC001351984777 886236038 /nfs/dbraw/zinc/23/60/38/886236038.db2.gz YUHJLUCXKVKVES-UHFFFAOYSA-N 1 0 293.371 -1.006 20 30 CAEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001351986522 886236202 /nfs/dbraw/zinc/23/62/02/886236202.db2.gz WASBGMUWSZFWIU-UTLUCORTSA-N 1 0 266.301 -1.315 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001351984240 886236864 /nfs/dbraw/zinc/23/68/64/886236864.db2.gz WNHGQIRRPYQOEW-GRYCIOLGSA-N 1 0 277.324 -1.190 20 30 CAEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCO[C@H](C#N)C1)C2 ZINC001352084452 886237073 /nfs/dbraw/zinc/23/70/73/886237073.db2.gz NXBDQBOAKXUXQE-MISXGVKJSA-N 1 0 292.339 -1.195 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC001352796213 886246279 /nfs/dbraw/zinc/24/62/79/886246279.db2.gz FCWIRAIKOWVMHZ-UHIISALHSA-N 1 0 292.339 -1.052 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC001352796211 886249334 /nfs/dbraw/zinc/24/93/34/886249334.db2.gz FCWIRAIKOWVMHZ-SUNKGSAMSA-N 1 0 292.339 -1.052 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001353043628 886258358 /nfs/dbraw/zinc/25/83/58/886258358.db2.gz QCYBAHPCQOZLDC-UHFFFAOYSA-N 1 0 292.339 -1.841 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001353187059 886265956 /nfs/dbraw/zinc/26/59/56/886265956.db2.gz DVSGLSPVDMYJHM-WDEREUQCSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001353187056 886267103 /nfs/dbraw/zinc/26/71/03/886267103.db2.gz DVSGLSPVDMYJHM-GHMZBOCLSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC001353182844 886268665 /nfs/dbraw/zinc/26/86/65/886268665.db2.gz HJGZWURRRUWPGW-VIFPVBQESA-N 1 0 251.286 -1.546 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCCN1C(=O)CCC1=O ZINC001353302002 886274183 /nfs/dbraw/zinc/27/41/83/886274183.db2.gz ILVNCPBTXXRSLR-UHFFFAOYSA-N 1 0 251.286 -1.136 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CCN1C1CC1 ZINC001353302599 886275561 /nfs/dbraw/zinc/27/55/61/886275561.db2.gz LKHYNVHDQPUHGB-LBPRGKRZSA-N 1 0 291.355 -1.479 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@]1(OCCO)CCOC1 ZINC001353353686 886276633 /nfs/dbraw/zinc/27/66/33/886276633.db2.gz LVEFWUUITMUABI-CYBMUJFWSA-N 1 0 270.329 -1.117 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001353612837 886283078 /nfs/dbraw/zinc/28/30/78/886283078.db2.gz IEMSRQOBCJEUKE-DTWKUNHWSA-N 1 0 251.290 -2.354 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001353944213 886291263 /nfs/dbraw/zinc/29/12/63/886291263.db2.gz SBYHNDOSBKBDJP-WDEREUQCSA-N 1 0 265.313 -1.203 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC001354241265 886307078 /nfs/dbraw/zinc/30/70/78/886307078.db2.gz IIFMLLUNDBYPOC-QJPTWQEYSA-N 1 0 292.339 -1.195 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001355102684 886334396 /nfs/dbraw/zinc/33/43/96/886334396.db2.gz IFXIIJXBFSSSST-ZJUUUORDSA-N 1 0 271.342 -2.193 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001355251422 886335340 /nfs/dbraw/zinc/33/53/40/886335340.db2.gz XEZQXEMEUPRQOA-VIFPVBQESA-N 1 0 272.330 -2.430 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC001356090789 886355263 /nfs/dbraw/zinc/35/52/63/886355263.db2.gz KCVPEUUTHJBVSH-WDMOLILDSA-N 1 0 292.339 -1.195 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001356089412 886356273 /nfs/dbraw/zinc/35/62/73/886356273.db2.gz BNQSSZUUGXUSAN-LBPRGKRZSA-N 1 0 268.317 -1.065 20 30 CAEDRO CCN1CC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001356246909 886358701 /nfs/dbraw/zinc/35/87/01/886358701.db2.gz IHWITQCOGNJRAE-WDEREUQCSA-N 1 0 280.328 -1.052 20 30 CAEDRO CCN1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001356246903 886360290 /nfs/dbraw/zinc/36/02/90/886360290.db2.gz IHWITQCOGNJRAE-MNOVXSKESA-N 1 0 280.328 -1.052 20 30 CAEDRO N#C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC001356460623 886367162 /nfs/dbraw/zinc/36/71/62/886367162.db2.gz COPKLLHIODHYGS-GHMZBOCLSA-N 1 0 280.328 -1.147 20 30 CAEDRO N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC001356460628 886367826 /nfs/dbraw/zinc/36/78/26/886367826.db2.gz COPKLLHIODHYGS-WDEREUQCSA-N 1 0 280.328 -1.147 20 30 CAEDRO C#CC[NH2+]CC(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001357377775 886403729 /nfs/dbraw/zinc/40/37/29/886403729.db2.gz ZNYSVAMKFMOLHN-JTQLQIEISA-N 1 0 252.318 -1.725 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C(N)=O ZINC001357929185 886415712 /nfs/dbraw/zinc/41/57/12/886415712.db2.gz LJURZEPURPRMKV-UFFNRZRYSA-N 1 0 292.339 -1.642 20 30 CAEDRO N#Cc1ncn(CC(=O)NC[C@@]2(CO)COCCN2)n1 ZINC001363274622 886849577 /nfs/dbraw/zinc/84/95/77/886849577.db2.gz QCJOOEBYKVHKJE-LLVKDONJSA-N 1 0 280.288 -2.383 20 30 CAEDRO N#Cc1cccc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)n1 ZINC001365610766 887227378 /nfs/dbraw/zinc/22/73/78/887227378.db2.gz OZNXTWSVTCUFDY-QWRGUYRKSA-N 1 0 273.296 -1.028 20 30 CAEDRO N#Cc1cccc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001365610764 887227456 /nfs/dbraw/zinc/22/74/56/887227456.db2.gz OZNXTWSVTCUFDY-GHMZBOCLSA-N 1 0 273.296 -1.028 20 30 CAEDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001367572413 887395183 /nfs/dbraw/zinc/39/51/83/887395183.db2.gz AIJYKUYDSJXILW-NXEZZACHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@H]([NH2+]CCN(CCO)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001368394354 887482720 /nfs/dbraw/zinc/48/27/20/887482720.db2.gz PZDXLJALRZYCLD-VIFPVBQESA-N 1 0 293.327 -1.216 20 30 CAEDRO CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H](C)C#N)C(N)=O ZINC001368396901 887483012 /nfs/dbraw/zinc/48/30/12/887483012.db2.gz VFNRCOBROWCQSE-ZJUUUORDSA-N 1 0 270.333 -1.180 20 30 CAEDRO CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H](C)C#N)C(N)=O ZINC001368396870 887484317 /nfs/dbraw/zinc/48/43/17/887484317.db2.gz VFNRCOBROWCQSE-NXEZZACHSA-N 1 0 270.333 -1.180 20 30 CAEDRO CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001369325668 887542535 /nfs/dbraw/zinc/54/25/35/887542535.db2.gz XQIVFYRJPGYKSL-MNOVXSKESA-N 1 0 284.360 -1.015 20 30 CAEDRO CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001369325672 887542948 /nfs/dbraw/zinc/54/29/48/887542948.db2.gz XQIVFYRJPGYKSL-WDEREUQCSA-N 1 0 284.360 -1.015 20 30 CAEDRO CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001369325670 887543163 /nfs/dbraw/zinc/54/31/63/887543163.db2.gz XQIVFYRJPGYKSL-QWRGUYRKSA-N 1 0 284.360 -1.015 20 30 CAEDRO CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001369325666 887544641 /nfs/dbraw/zinc/54/46/41/887544641.db2.gz XQIVFYRJPGYKSL-GHMZBOCLSA-N 1 0 284.360 -1.015 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369449018 887568070 /nfs/dbraw/zinc/56/80/70/887568070.db2.gz IQPWUAYPHMGSFM-DTWKUNHWSA-N 1 0 296.331 -1.823 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369449020 887568913 /nfs/dbraw/zinc/56/89/13/887568913.db2.gz IQPWUAYPHMGSFM-RKDXNWHRSA-N 1 0 296.331 -1.823 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1ccc(C#N)[nH]1 ZINC001369459814 887573128 /nfs/dbraw/zinc/57/31/28/887573128.db2.gz IAMXNOCUXDDSRZ-VIFPVBQESA-N 1 0 279.300 -1.606 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370748634 887632939 /nfs/dbraw/zinc/63/29/39/887632939.db2.gz GCNZWPUVEYIBOH-QWRGUYRKSA-N 1 0 294.355 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370748631 887633460 /nfs/dbraw/zinc/63/34/60/887633460.db2.gz GCNZWPUVEYIBOH-MNOVXSKESA-N 1 0 294.355 -1.165 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374592800 887803782 /nfs/dbraw/zinc/80/37/82/887803782.db2.gz FGOQZODGGYFXOE-NWDGAFQWSA-N 1 0 296.327 -1.426 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374595006 887810530 /nfs/dbraw/zinc/81/05/30/887810530.db2.gz MDKMLOFZVKRCEW-LLVKDONJSA-N 1 0 293.327 -1.297 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379173967 888096374 /nfs/dbraw/zinc/09/63/74/888096374.db2.gz ATNWRCYMRFXSAD-JTQLQIEISA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379186483 888099743 /nfs/dbraw/zinc/09/97/43/888099743.db2.gz KODRKRUFGAHUBQ-YUMQZZPRSA-N 1 0 282.304 -2.165 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001379199889 888102407 /nfs/dbraw/zinc/10/24/07/888102407.db2.gz REMWZLRSBNZKIE-JGVFFNPUSA-N 1 0 277.708 -1.086 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379368710 888132417 /nfs/dbraw/zinc/13/24/17/888132417.db2.gz DDMIHERQAQGRGI-WCBMZHEXSA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001380071041 888191705 /nfs/dbraw/zinc/19/17/05/888191705.db2.gz ZIIGWMINZFLDIK-HTQZYQBOSA-N 1 0 281.316 -1.032 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001382382899 888344731 /nfs/dbraw/zinc/34/47/31/888344731.db2.gz BTSVVDCGQJCOBN-UWVGGRQHSA-N 1 0 270.333 -1.357 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001382596267 888374861 /nfs/dbraw/zinc/37/48/61/888374861.db2.gz GEGYUIKHRHHXKV-NXEZZACHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001382596273 888374878 /nfs/dbraw/zinc/37/48/78/888374878.db2.gz GEGYUIKHRHHXKV-VHSXEESVSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001382596277 888375046 /nfs/dbraw/zinc/37/50/46/888375046.db2.gz GEGYUIKHRHHXKV-ZJUUUORDSA-N 1 0 270.333 -1.309 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CS(=O)(=O)NC ZINC001392429605 888706286 /nfs/dbraw/zinc/70/62/86/888706286.db2.gz REHOEXMDDZTMBP-MRVPVSSYSA-N 1 0 299.780 -1.645 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766192 888735472 /nfs/dbraw/zinc/73/54/72/888735472.db2.gz IMMYFNIGUAOYBU-IONNQARKSA-N 1 0 281.316 -1.175 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001393579095 888793875 /nfs/dbraw/zinc/79/38/75/888793875.db2.gz JZBOMXZZCNCAQW-IUCAKERBSA-N 1 0 297.315 -1.842 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001393764362 888804758 /nfs/dbraw/zinc/80/47/58/888804758.db2.gz KTPAKCCLLNHURP-NXEZZACHSA-N 1 0 282.344 -1.037 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001394581994 888848113 /nfs/dbraw/zinc/84/81/13/888848113.db2.gz SMMQUJCXADUNNL-MNOVXSKESA-N 1 0 296.327 -1.426 20 30 CAEDRO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001394581992 888848808 /nfs/dbraw/zinc/84/88/08/888848808.db2.gz SMMQUJCXADUNNL-GHMZBOCLSA-N 1 0 296.327 -1.426 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001394589229 888850811 /nfs/dbraw/zinc/85/08/11/888850811.db2.gz XNEPQZPIWRARBH-LDYMZIIASA-N 1 0 293.327 -1.299 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)c[nH]1 ZINC001394589834 888851183 /nfs/dbraw/zinc/85/11/83/888851183.db2.gz YQRDZVRLDSRFID-WDEREUQCSA-N 1 0 291.311 -1.545 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001394589212 888852400 /nfs/dbraw/zinc/85/24/00/888852400.db2.gz XNEPQZPIWRARBH-GZMMTYOYSA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001398879331 889019805 /nfs/dbraw/zinc/01/98/05/889019805.db2.gz KKOQILFWLUDKFR-VHSXEESVSA-N 1 0 295.343 -1.801 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001399184134 889035502 /nfs/dbraw/zinc/03/55/02/889035502.db2.gz OWVROUXMNPXCFD-IUCAKERBSA-N 1 0 281.316 -1.208 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001399867108 889071444 /nfs/dbraw/zinc/07/14/44/889071444.db2.gz ZCYBLZOJWLDMTL-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001399867069 889074533 /nfs/dbraw/zinc/07/45/33/889074533.db2.gz ZCYBLZOJWLDMTL-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001401490055 889138205 /nfs/dbraw/zinc/13/82/05/889138205.db2.gz GPEIMWBJBASTCW-GHMZBOCLSA-N 1 0 298.343 -1.928 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001402268728 889211967 /nfs/dbraw/zinc/21/19/67/889211967.db2.gz TUMULLBWJHGNIU-AAEUAGOBSA-N 1 0 292.343 -1.009 20 30 CAEDRO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403654530 889330034 /nfs/dbraw/zinc/33/00/34/889330034.db2.gz KAWUIXQWBGMXHM-GHMZBOCLSA-N 1 0 296.327 -1.426 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403654534 889331355 /nfs/dbraw/zinc/33/13/55/889331355.db2.gz KAWUIXQWBGMXHM-QWRGUYRKSA-N 1 0 296.327 -1.426 20 30 CAEDRO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001403648520 889332081 /nfs/dbraw/zinc/33/20/81/889332081.db2.gz CXXBFAUOFCKRLL-SECBINFHSA-N 1 0 279.300 -1.687 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001403652871 889333010 /nfs/dbraw/zinc/33/30/10/889333010.db2.gz IAQXTORCRHSNQC-LLVKDONJSA-N 1 0 293.327 -1.345 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001405624491 889461783 /nfs/dbraw/zinc/46/17/83/889461783.db2.gz GELPQCZGASDFHB-IUCAKERBSA-N 1 0 283.332 -1.056 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001405624494 889462374 /nfs/dbraw/zinc/46/23/74/889462374.db2.gz GELPQCZGASDFHB-RKDXNWHRSA-N 1 0 283.332 -1.056 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001406207518 889484353 /nfs/dbraw/zinc/48/43/53/889484353.db2.gz IRGVOAOOFXTQBU-WDEREUQCSA-N 1 0 296.327 -1.426 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001406211768 889484589 /nfs/dbraw/zinc/48/45/89/889484589.db2.gz KRRUQILSUOTZGM-LDYMZIIASA-N 1 0 293.327 -1.299 20 30 CAEDRO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001406208299 889485323 /nfs/dbraw/zinc/48/53/23/889485323.db2.gz IFAQDOSZWRTHHK-UWVGGRQHSA-N 1 0 270.333 -1.263 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)c[nH]1 ZINC001406206576 889485287 /nfs/dbraw/zinc/48/52/87/889485287.db2.gz GKOVHFSWCTUQRF-QWRGUYRKSA-N 1 0 291.311 -1.545 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001406207514 889485299 /nfs/dbraw/zinc/48/52/99/889485299.db2.gz IRGVOAOOFXTQBU-QWRGUYRKSA-N 1 0 296.327 -1.426 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001406207511 889485671 /nfs/dbraw/zinc/48/56/71/889485671.db2.gz IRGVOAOOFXTQBU-MNOVXSKESA-N 1 0 296.327 -1.426 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001406211754 889485727 /nfs/dbraw/zinc/48/57/27/889485727.db2.gz KRRUQILSUOTZGM-GZMMTYOYSA-N 1 0 293.327 -1.299 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001406255007 889499346 /nfs/dbraw/zinc/49/93/46/889499346.db2.gz MVXAJJMAOXEPBD-ZETCQYMHSA-N 1 0 274.712 -1.357 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001407582636 889581771 /nfs/dbraw/zinc/58/17/71/889581771.db2.gz OZYRUEILROHHIS-JTQLQIEISA-N 1 0 281.360 -1.198 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001410169535 889664455 /nfs/dbraw/zinc/66/44/55/889664455.db2.gz ZWGDNUIBBDCYJC-NXEZZACHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001410599911 889690559 /nfs/dbraw/zinc/69/05/59/889690559.db2.gz ZJSLXWWOMZMXEB-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001410599950 889691703 /nfs/dbraw/zinc/69/17/03/889691703.db2.gz ZJSLXWWOMZMXEB-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO N#Cc1ncn(CC(=O)NCC[NH+]2CCC(O)CC2)n1 ZINC001412136773 889792770 /nfs/dbraw/zinc/79/27/70/889792770.db2.gz UJWONOKOYLGXQP-UHFFFAOYSA-N 1 0 278.316 -1.277 20 30 CAEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001413028179 889928299 /nfs/dbraw/zinc/92/82/99/889928299.db2.gz ORFUKGAMKLTZQY-LPEHRKFASA-N 1 0 280.328 -1.440 20 30 CAEDRO CN(CCC#N)C(=O)CC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001413021698 889928174 /nfs/dbraw/zinc/92/81/74/889928174.db2.gz BNLDMUVGOINTOQ-UWVGGRQHSA-N 1 0 295.343 -1.733 20 30 CAEDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC001413370026 889974591 /nfs/dbraw/zinc/97/45/91/889974591.db2.gz QAJFYZWNOIHLQW-WDEREUQCSA-N 1 0 288.373 -1.003 20 30 CAEDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC001413370006 889974651 /nfs/dbraw/zinc/97/46/51/889974651.db2.gz QAJFYZWNOIHLQW-MNOVXSKESA-N 1 0 288.373 -1.003 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001418047630 890184642 /nfs/dbraw/zinc/18/46/42/890184642.db2.gz BDXTYDSACXDPMH-IWSPIJDZSA-N 1 0 281.316 -1.162 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420112473 890386962 /nfs/dbraw/zinc/38/69/62/890386962.db2.gz PCMALCWUMYADFC-WCBMZHEXSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001420117182 890394908 /nfs/dbraw/zinc/39/49/08/890394908.db2.gz SPBZMPHTKSABRP-PSASIEDQSA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001421635217 890519655 /nfs/dbraw/zinc/51/96/55/890519655.db2.gz LHJYKOKNMYCMRX-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001421635228 890520191 /nfs/dbraw/zinc/52/01/91/890520191.db2.gz LHJYKOKNMYCMRX-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)[nH]1 ZINC001421798202 890534818 /nfs/dbraw/zinc/53/48/18/890534818.db2.gz ZHSHEBJIXLMIOS-JTQLQIEISA-N 1 0 291.311 -1.198 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CNC(=O)NC ZINC001422312127 890573098 /nfs/dbraw/zinc/57/30/98/890573098.db2.gz DQSVDSSFFJMASG-QMMMGPOBSA-N 1 0 278.740 -1.265 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CCNC(N)=O ZINC001422401851 890588331 /nfs/dbraw/zinc/58/83/31/890588331.db2.gz DSWUMOUSLDAPRO-MRVPVSSYSA-N 1 0 278.740 -1.136 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001423187325 890636380 /nfs/dbraw/zinc/63/63/80/890636380.db2.gz DGZDYVZKMWYVIB-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)[nH]1 ZINC001423213526 890644813 /nfs/dbraw/zinc/64/48/13/890644813.db2.gz HFLBLBOVPKZNOM-KOLCDFICSA-N 1 0 291.311 -1.545 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)[nH]1 ZINC001423213520 890645336 /nfs/dbraw/zinc/64/53/36/890645336.db2.gz HFLBLBOVPKZNOM-GXSJLCMTSA-N 1 0 291.311 -1.545 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)[nH]1 ZINC001423213532 890645428 /nfs/dbraw/zinc/64/54/28/890645428.db2.gz HFLBLBOVPKZNOM-MWLCHTKSSA-N 1 0 291.311 -1.545 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)[nH]1 ZINC001423213539 890645923 /nfs/dbraw/zinc/64/59/23/890645923.db2.gz HFLBLBOVPKZNOM-ONGXEEELSA-N 1 0 291.311 -1.545 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001423470925 890677346 /nfs/dbraw/zinc/67/73/46/890677346.db2.gz OXTPDFXIUBSQFQ-IUCAKERBSA-N 1 0 281.316 -1.078 20 30 CAEDRO CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 ZINC001424389266 890730256 /nfs/dbraw/zinc/73/02/56/890730256.db2.gz FSZBANUAYWSEFH-MFKMUULPSA-N 1 0 282.344 -1.165 20 30 CAEDRO CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001424389264 890730605 /nfs/dbraw/zinc/73/06/05/890730605.db2.gz FSZBANUAYWSEFH-GXFFZTMASA-N 1 0 282.344 -1.165 20 30 CAEDRO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001425705579 890794297 /nfs/dbraw/zinc/79/42/97/890794297.db2.gz BIRLRZVYTCMOOY-VHSXEESVSA-N 1 0 270.333 -1.309 20 30 CAEDRO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001425705363 890795867 /nfs/dbraw/zinc/79/58/67/890795867.db2.gz BIRLRZVYTCMOOY-NXEZZACHSA-N 1 0 270.333 -1.309 20 30 CAEDRO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001425705585 890795964 /nfs/dbraw/zinc/79/59/64/890795964.db2.gz BIRLRZVYTCMOOY-ZJUUUORDSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001425983984 890841643 /nfs/dbraw/zinc/84/16/43/890841643.db2.gz ROLVNTGDYBZXNS-QWRGUYRKSA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001426536768 890860265 /nfs/dbraw/zinc/86/02/65/890860265.db2.gz HYESHFLJYWNVEH-GMTAPVOTSA-N 1 0 282.344 -1.214 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437695334 891189457 /nfs/dbraw/zinc/18/94/57/891189457.db2.gz IMSBUSDPGUVCJB-IUCAKERBSA-N 1 0 281.316 -1.221 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001438980310 891256990 /nfs/dbraw/zinc/25/69/90/891256990.db2.gz MWDKGSDOPJVPLI-QWRGUYRKSA-N 1 0 296.327 -1.426 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001441346503 891411413 /nfs/dbraw/zinc/41/14/13/891411413.db2.gz CDDQKBYJSYIVTA-CIUDSAMLSA-N 1 0 281.316 -1.175 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)CNC(C)=O ZINC001441657643 891422867 /nfs/dbraw/zinc/42/28/67/891422867.db2.gz RDCHVWRWGNDHAT-LLVKDONJSA-N 1 0 270.333 -1.165 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)c1 ZINC001441670841 891427223 /nfs/dbraw/zinc/42/72/23/891427223.db2.gz NLLDONXAVFREHW-UWVGGRQHSA-N 1 0 291.311 -1.545 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)c1 ZINC001441670847 891427862 /nfs/dbraw/zinc/42/78/62/891427862.db2.gz NLLDONXAVFREHW-ZJUUUORDSA-N 1 0 291.311 -1.545 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N(CC(N)=O)CC(N)=O ZINC001443285510 891518971 /nfs/dbraw/zinc/51/89/71/891518971.db2.gz BXKQGHCCIDXOKJ-UHFFFAOYSA-N 1 0 256.306 -1.707 20 30 CAEDRO C[C@@H](NC(=O)Cn1cnc(C#N)n1)[C@H]1C[N@H+](C)CCN1C ZINC001444409678 891573699 /nfs/dbraw/zinc/57/36/99/891573699.db2.gz KVZAKXCLAHDMDN-GHMZBOCLSA-N 1 0 291.359 -1.100 20 30 CAEDRO C#CCC[NH+]1CCC(NC(=O)Cn2nnc(N)n2)CC1 ZINC001444690876 891588361 /nfs/dbraw/zinc/58/83/61/891588361.db2.gz SHVNVHWOHNSBIU-UHFFFAOYSA-N 1 0 277.332 -1.141 20 30 CAEDRO CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001445147424 891602601 /nfs/dbraw/zinc/60/26/01/891602601.db2.gz FMXQZRGAXBQGLE-NXEZZACHSA-N 1 0 270.333 -1.261 20 30 CAEDRO CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001445147440 891605827 /nfs/dbraw/zinc/60/58/27/891605827.db2.gz FMXQZRGAXBQGLE-UWVGGRQHSA-N 1 0 270.333 -1.261 20 30 CAEDRO CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001445147452 891607323 /nfs/dbraw/zinc/60/73/23/891607323.db2.gz FMXQZRGAXBQGLE-ZJUUUORDSA-N 1 0 270.333 -1.261 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445149605 891607485 /nfs/dbraw/zinc/60/74/85/891607485.db2.gz GSNFVJMBXLIRDQ-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001445242151 891620264 /nfs/dbraw/zinc/62/02/64/891620264.db2.gz VVNRKKJIDSLGDL-YUMQZZPRSA-N 1 0 276.724 -1.513 20 30 CAEDRO CNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001448815290 891780199 /nfs/dbraw/zinc/78/01/99/891780199.db2.gz IHJNSVXSJMABDP-JTQLQIEISA-N 1 0 279.300 -1.687 20 30 CAEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCn1cnc(C#N)n1 ZINC001449133274 891827754 /nfs/dbraw/zinc/82/77/54/891827754.db2.gz UZEDVNVEODINCL-CABZTGNLSA-N 1 0 278.316 -1.279 20 30 CAEDRO C[NH+](C)CCn1nccc1C(=O)NCC(=O)NCC#N ZINC001449121174 891829284 /nfs/dbraw/zinc/82/92/84/891829284.db2.gz AFCZHWLHSWZGMR-UHFFFAOYSA-N 1 0 278.316 -1.186 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001458016722 892113895 /nfs/dbraw/zinc/11/38/95/892113895.db2.gz DKNUNCJVUZVLQY-QWRGUYRKSA-N 1 0 294.355 -1.165 20 30 CAEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC001460132910 892140348 /nfs/dbraw/zinc/14/03/48/892140348.db2.gz CRPWWCSQJNADRV-AEJSXWLSSA-N 1 0 263.297 -1.022 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NCCS(C)(=O)=O ZINC001468597841 892274048 /nfs/dbraw/zinc/27/40/48/892274048.db2.gz YELCZFDRTGDOHA-UHFFFAOYSA-N 1 0 261.347 -1.105 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)Cn1ncn2nccc2c1=O ZINC001471036697 892340042 /nfs/dbraw/zinc/34/00/42/892340042.db2.gz WDGDVBDRQNXFND-UHFFFAOYSA-N 1 0 288.311 -1.428 20 30 CAEDRO C=C(CCC(=O)OC)C(=O)NC[C@]1(CO)COCCN1 ZINC001471178545 892346672 /nfs/dbraw/zinc/34/66/72/892346672.db2.gz KHRXCESJHRRRJK-ZDUSSCGKSA-N 1 0 286.328 -1.037 20 30 CAEDRO C=C(CCC(=O)OC)C(=O)NC[C@@]1(CO)COCCN1 ZINC001471178544 892347676 /nfs/dbraw/zinc/34/76/76/892347676.db2.gz KHRXCESJHRRRJK-CYBMUJFWSA-N 1 0 286.328 -1.037 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001471630157 892359278 /nfs/dbraw/zinc/35/92/78/892359278.db2.gz LPUSLUSEKFPUDL-QWRGUYRKSA-N 1 0 255.318 -1.454 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001471630155 892360054 /nfs/dbraw/zinc/36/00/54/892360054.db2.gz LPUSLUSEKFPUDL-GHMZBOCLSA-N 1 0 255.318 -1.454 20 30 CAEDRO N#CC1(C[C@@H](O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CCC1 ZINC001473642256 892422554 /nfs/dbraw/zinc/42/25/54/892422554.db2.gz ICMZWAMRUBMCQH-MXWKQRLJSA-N 1 0 294.355 -1.050 20 30 CAEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CCC1 ZINC001473642254 892423350 /nfs/dbraw/zinc/42/33/50/892423350.db2.gz ICMZWAMRUBMCQH-GARJFASQSA-N 1 0 294.355 -1.050 20 30 CAEDRO N#CCCOCC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001473733193 892426303 /nfs/dbraw/zinc/42/63/03/892426303.db2.gz ACKDLXAUACZTEZ-UHFFFAOYSA-N 1 0 289.357 -1.061 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)COC)C1 ZINC001479274437 892471897 /nfs/dbraw/zinc/47/18/97/892471897.db2.gz MXEVWFMQQFSTIC-PHIMTYICSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001479469916 892474776 /nfs/dbraw/zinc/47/47/76/892474776.db2.gz AOPBIVLSMOREDM-QWHCGFSZSA-N 1 0 292.383 -1.074 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001479383978 892474921 /nfs/dbraw/zinc/47/49/21/892474921.db2.gz CQUWBLYLXFGZKJ-JOCQHMNTSA-N 1 0 292.383 -1.074 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001479393102 892475197 /nfs/dbraw/zinc/47/51/97/892475197.db2.gz BYPLHPYXLLOPPM-OPRDCNLKSA-N 1 0 280.328 -1.906 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001479393100 892475931 /nfs/dbraw/zinc/47/59/31/892475931.db2.gz BYPLHPYXLLOPPM-GUBZILKMSA-N 1 0 280.328 -1.906 20 30 CAEDRO C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001479658720 892477840 /nfs/dbraw/zinc/47/78/40/892477840.db2.gz CZEZEEDDPNXAKY-NWDGAFQWSA-N 1 0 294.355 -1.414 20 30 CAEDRO Cn1nnc(C(=O)NCCC[N@H+](C)CC(=O)NCC#N)n1 ZINC001479789166 892482917 /nfs/dbraw/zinc/48/29/17/892482917.db2.gz GVZJEDGZHOOXBV-UHFFFAOYSA-N 1 0 294.319 -2.098 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770700 892483073 /nfs/dbraw/zinc/48/30/73/892483073.db2.gz PRSYUZNYEVGROK-GHMZBOCLSA-N 1 0 296.327 -1.161 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CCCNC(=O)C(N)=O ZINC001479853186 892485470 /nfs/dbraw/zinc/48/54/70/892485470.db2.gz FFXSLTICFJRURU-JTQLQIEISA-N 1 0 282.344 -1.562 20 30 CAEDRO C#CCC[NH+]1CCN(CCNC(=O)CCNC(N)=O)CC1 ZINC001479941065 892491319 /nfs/dbraw/zinc/49/13/19/892491319.db2.gz HAHZLZPYFKTLJF-UHFFFAOYSA-N 1 0 295.387 -1.198 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001479948281 892491660 /nfs/dbraw/zinc/49/16/60/892491660.db2.gz MILRSRHUPAEYPW-NEPJUHHUSA-N 1 0 293.371 -1.089 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001479970826 892494543 /nfs/dbraw/zinc/49/45/43/892494543.db2.gz TVHRZEFHDXANJE-NWDGAFQWSA-N 1 0 293.371 -1.232 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001479970825 892494623 /nfs/dbraw/zinc/49/46/23/892494623.db2.gz TVHRZEFHDXANJE-NEPJUHHUSA-N 1 0 293.371 -1.232 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001479965783 892494686 /nfs/dbraw/zinc/49/46/86/892494686.db2.gz OBGLFKFYBMSWJT-MNOVXSKESA-N 1 0 282.344 -1.257 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001479970828 892495369 /nfs/dbraw/zinc/49/53/69/892495369.db2.gz TVHRZEFHDXANJE-VXGBXAGGSA-N 1 0 293.371 -1.232 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)CNS(=O)(=O)NC)C1CC1 ZINC001480036530 892497183 /nfs/dbraw/zinc/49/71/83/892497183.db2.gz LQXMKVGYKNYGIL-JTQLQIEISA-N 1 0 288.373 -1.842 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)C(N)=O)C1CC1 ZINC001480045796 892498178 /nfs/dbraw/zinc/49/81/78/892498178.db2.gz ZFUCNKFGVKJIJV-SECBINFHSA-N 1 0 266.301 -2.295 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001480044299 892498263 /nfs/dbraw/zinc/49/82/63/892498263.db2.gz SMGRSDMBHXVTCY-VHSXEESVSA-N 1 0 250.302 -1.215 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001480112184 892498314 /nfs/dbraw/zinc/49/83/14/892498314.db2.gz ADRARWUJYQUEPJ-NSHDSACASA-N 1 0 282.344 -1.385 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001480116952 892499972 /nfs/dbraw/zinc/49/99/72/892499972.db2.gz HVHWTZDDNBFNQB-JTQLQIEISA-N 1 0 290.327 -1.218 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001480130523 892500146 /nfs/dbraw/zinc/50/01/46/892500146.db2.gz AHOBCSBDGHQWNZ-GMTAPVOTSA-N 1 0 292.339 -1.749 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001480133245 892500734 /nfs/dbraw/zinc/50/07/34/892500734.db2.gz VTNGKFCFOJMHGN-GUBZILKMSA-N 1 0 282.344 -1.211 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001480142690 892500984 /nfs/dbraw/zinc/50/09/84/892500984.db2.gz SZMBMSHSBGUEMF-GUBZILKMSA-N 1 0 278.312 -1.155 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001480131170 892501362 /nfs/dbraw/zinc/50/13/62/892501362.db2.gz IPVSSQYZKXORSO-FNCVBFRFSA-N 1 0 281.316 -1.034 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001480121266 892501231 /nfs/dbraw/zinc/50/12/31/892501231.db2.gz OCSBUHSDURVXIT-JTQLQIEISA-N 1 0 297.359 -1.463 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001480146565 892501316 /nfs/dbraw/zinc/50/13/16/892501316.db2.gz XWXXUPMXHJZAHE-OPRDCNLKSA-N 1 0 290.327 -1.207 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001480133246 892501430 /nfs/dbraw/zinc/50/14/30/892501430.db2.gz VTNGKFCFOJMHGN-OPRDCNLKSA-N 1 0 282.344 -1.211 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001480136783 892502378 /nfs/dbraw/zinc/50/23/78/892502378.db2.gz OIDGHCPMOTZZAC-IWSPIJDZSA-N 1 0 295.299 -2.029 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001480203738 892504008 /nfs/dbraw/zinc/50/40/08/892504008.db2.gz UAGXWLPQYJKTBE-LPEHRKFASA-N 1 0 296.327 -1.544 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001480164292 892504118 /nfs/dbraw/zinc/50/41/18/892504118.db2.gz YPLIMCNTSXDQBF-XYPYZODXSA-N 1 0 289.339 -1.062 20 30 CAEDRO C#CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001480204961 892504466 /nfs/dbraw/zinc/50/44/66/892504466.db2.gz UCZVHDPFIBHIOV-AOOOYVTPSA-N 1 0 253.302 -1.252 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001480163196 892504874 /nfs/dbraw/zinc/50/48/74/892504874.db2.gz REYJTYMWAZKGFW-KYZUINATSA-N 1 0 278.316 -1.043 20 30 CAEDRO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001480195515 892504961 /nfs/dbraw/zinc/50/49/61/892504961.db2.gz AMEJHBFEDMQURZ-DTORHVGOSA-N 1 0 284.316 -1.379 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001480203736 892505316 /nfs/dbraw/zinc/50/53/16/892505316.db2.gz UAGXWLPQYJKTBE-BBBLOLIVSA-N 1 0 296.327 -1.544 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001480162019 892505483 /nfs/dbraw/zinc/50/54/83/892505483.db2.gz YNEABDWVEGGHQB-SRVKXCTJSA-N 1 0 294.355 -1.373 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001480210316 892507287 /nfs/dbraw/zinc/50/72/87/892507287.db2.gz CFQDTMBKCVCOAY-PHIMTYICSA-N 1 0 280.328 -1.891 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001480228864 892507250 /nfs/dbraw/zinc/50/72/50/892507250.db2.gz LFGPILLXUKXSIF-AOOOYVTPSA-N 1 0 290.327 -1.171 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001480219790 892507511 /nfs/dbraw/zinc/50/75/11/892507511.db2.gz COKWCJBYCPEYME-KXUCPTDWSA-N 1 0 250.302 -1.072 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001480235936 892508371 /nfs/dbraw/zinc/50/83/71/892508371.db2.gz WDUQLMVDVFDFJX-PHIMTYICSA-N 1 0 290.327 -1.736 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001480262817 892509094 /nfs/dbraw/zinc/50/90/94/892509094.db2.gz WCQSOVAZMZBNKS-SNVBAGLBSA-N 1 0 282.344 -1.398 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001480211973 892509136 /nfs/dbraw/zinc/50/91/36/892509136.db2.gz QCPIFAZTHARPER-PHIMTYICSA-N 1 0 277.328 -1.158 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001480216523 892509189 /nfs/dbraw/zinc/50/91/89/892509189.db2.gz OITICRKVNSYZKR-TXEJJXNPSA-N 1 0 278.356 -1.322 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CNC(C)=O ZINC001480415078 892512005 /nfs/dbraw/zinc/51/20/05/892512005.db2.gz DSVZEQVURHAHDL-VHSXEESVSA-N 1 0 282.344 -1.645 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnn(C)c1 ZINC001480423058 892513764 /nfs/dbraw/zinc/51/37/64/892513764.db2.gz XHDAQCDDUSOJNF-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cccn1 ZINC001480423076 892514347 /nfs/dbraw/zinc/51/43/47/892514347.db2.gz BAUUURFBIONFJM-NSHDSACASA-N 1 0 277.328 -1.273 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001480429487 892514785 /nfs/dbraw/zinc/51/47/85/892514785.db2.gz TVJAQHAXCKCFCZ-MNOVXSKESA-N 1 0 283.328 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnn(C)c1 ZINC001480423059 892515113 /nfs/dbraw/zinc/51/51/13/892515113.db2.gz XHDAQCDDUSOJNF-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cccn1 ZINC001480423070 892515816 /nfs/dbraw/zinc/51/58/16/892515816.db2.gz BAUUURFBIONFJM-LLVKDONJSA-N 1 0 277.328 -1.273 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)C#N ZINC001480436576 892516108 /nfs/dbraw/zinc/51/61/08/892516108.db2.gz SQWZJYDLWARYMF-NXEZZACHSA-N 1 0 250.302 -1.010 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001480451280 892517538 /nfs/dbraw/zinc/51/75/38/892517538.db2.gz SJSGTQOGUFGAFL-ZJUUUORDSA-N 1 0 270.333 -1.213 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC(N)=O ZINC001480440936 892518467 /nfs/dbraw/zinc/51/84/67/892518467.db2.gz ZCFMWWVSWRSZDP-QMMMGPOBSA-N 1 0 256.306 -1.742 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC(N)=O ZINC001480438645 892518646 /nfs/dbraw/zinc/51/86/46/892518646.db2.gz JIDWOABHBIPPKA-IUCAKERBSA-N 1 0 268.317 -1.906 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001480451449 892518762 /nfs/dbraw/zinc/51/87/62/892518762.db2.gz WAJVOSSHGSPUPJ-BDAKNGLRSA-N 1 0 283.332 -2.113 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001480437827 892518986 /nfs/dbraw/zinc/51/89/86/892518986.db2.gz GDSXKBMVZZOIQZ-VIFPVBQESA-N 1 0 292.343 -1.419 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC(N)=O ZINC001480438644 892519606 /nfs/dbraw/zinc/51/96/06/892519606.db2.gz JIDWOABHBIPPKA-DTWKUNHWSA-N 1 0 268.317 -1.906 20 30 CAEDRO C[C@H](CNC(=O)c1cnc[nH]c1=O)[NH2+]CC(=O)NCC#N ZINC001480485171 892521503 /nfs/dbraw/zinc/52/15/03/892521503.db2.gz ZZBPUSMFORSGOP-MRVPVSSYSA-N 1 0 292.299 -1.470 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001480459183 892522224 /nfs/dbraw/zinc/52/22/24/892522224.db2.gz KGZJPNIZDQLRFE-NSHDSACASA-N 1 0 291.355 -1.194 20 30 CAEDRO C#CCOCCC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001480459283 892522481 /nfs/dbraw/zinc/52/24/81/892522481.db2.gz JOCKYFRNRQVQSH-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001480477006 892522518 /nfs/dbraw/zinc/52/25/18/892522518.db2.gz BAVRPIICMYTPAV-SFYZADRCSA-N 1 0 252.274 -1.688 20 30 CAEDRO C#CCOCCC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001480459248 892523152 /nfs/dbraw/zinc/52/31/52/892523152.db2.gz JCTOTJRLHVAJBX-UWVGGRQHSA-N 1 0 298.343 -1.296 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)Cn1ncnn1 ZINC001480461596 892523278 /nfs/dbraw/zinc/52/32/78/892523278.db2.gz MPHKDPVDFBIVFM-SNVBAGLBSA-N 1 0 266.305 -1.583 20 30 CAEDRO C[C@@H](CNC(=O)c1ncc[nH]1)[NH2+]CC(=O)NCC#N ZINC001480458286 892523553 /nfs/dbraw/zinc/52/35/53/892523553.db2.gz WKMIQVOYUSEBNH-QMMMGPOBSA-N 1 0 264.289 -1.243 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001480488167 892523583 /nfs/dbraw/zinc/52/35/83/892523583.db2.gz FLJWFIAWDIBUQP-SECBINFHSA-N 1 0 270.333 -1.481 20 30 CAEDRO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)[NH2+]CC(=O)NCC#N ZINC001480523905 892524727 /nfs/dbraw/zinc/52/47/27/892524727.db2.gz HHSFQTHEZOWPHO-QMMMGPOBSA-N 1 0 292.299 -1.882 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001480508653 892526148 /nfs/dbraw/zinc/52/61/48/892526148.db2.gz LFSLYEFXUOIYHW-JTQLQIEISA-N 1 0 265.317 -1.301 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001480510448 892526522 /nfs/dbraw/zinc/52/65/22/892526522.db2.gz YRQGRONPXLBADX-MRVPVSSYSA-N 1 0 264.351 -1.680 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001480519005 892527200 /nfs/dbraw/zinc/52/72/00/892527200.db2.gz UKCMTMSJKVCQAQ-DCQANWLSSA-N 1 0 279.340 -1.278 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001480517010 892527637 /nfs/dbraw/zinc/52/76/37/892527637.db2.gz DBVKIAFIQCRQNB-VIFPVBQESA-N 1 0 293.327 -1.417 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001480510449 892527670 /nfs/dbraw/zinc/52/76/70/892527670.db2.gz YRQGRONPXLBADX-QMMMGPOBSA-N 1 0 264.351 -1.680 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001480527157 892529225 /nfs/dbraw/zinc/52/92/25/892529225.db2.gz OTORFLWFWXETAJ-VHSXEESVSA-N 1 0 268.317 -1.588 20 30 CAEDRO C#CCC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001480549510 892530017 /nfs/dbraw/zinc/53/00/17/892530017.db2.gz VSKKJKTZACNUQT-SNVBAGLBSA-N 1 0 292.339 -1.185 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001480544009 892531218 /nfs/dbraw/zinc/53/12/18/892531218.db2.gz OKAMFNGCRADWNA-YUMQZZPRSA-N 1 0 252.274 -1.688 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001480589951 892533525 /nfs/dbraw/zinc/53/35/25/892533525.db2.gz ZJYRBFBJWDUASJ-VIFPVBQESA-N 1 0 251.286 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)NC(C)=O ZINC001480556551 892535818 /nfs/dbraw/zinc/53/58/18/892535818.db2.gz WFOKRQDQCKNTOM-SNVBAGLBSA-N 1 0 296.371 -1.255 20 30 CAEDRO COC[C@@H](OC)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480620238 892536843 /nfs/dbraw/zinc/53/68/43/892536843.db2.gz ZCVLABGITNFNTP-WDEREUQCSA-N 1 0 298.343 -1.522 20 30 CAEDRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001480615544 892536946 /nfs/dbraw/zinc/53/69/46/892536946.db2.gz WLWXHGZBYZGYFM-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001480611422 892537056 /nfs/dbraw/zinc/53/70/56/892537056.db2.gz QCAOIETUIAVODI-VIFPVBQESA-N 1 0 276.300 -1.146 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001480630114 892537083 /nfs/dbraw/zinc/53/70/83/892537083.db2.gz OSFNWDAGEVCXNL-GFCCVEGCSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001480614304 892537307 /nfs/dbraw/zinc/53/73/07/892537307.db2.gz MNSOOAMZZKGFDL-VHSXEESVSA-N 1 0 294.311 -1.965 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001480614039 892537448 /nfs/dbraw/zinc/53/74/48/892537448.db2.gz DVAKIXXMYHNGOD-WDEREUQCSA-N 1 0 281.312 -1.065 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001480610658 892538164 /nfs/dbraw/zinc/53/81/64/892538164.db2.gz VWTVBQRGWXJIHG-NSHDSACASA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1ccnc1 ZINC001480604922 892538425 /nfs/dbraw/zinc/53/84/25/892538425.db2.gz SPNKRYPFBMHDII-LLVKDONJSA-N 1 0 277.328 -1.273 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001480618496 892539137 /nfs/dbraw/zinc/53/91/37/892539137.db2.gz BHYNWKSAGJIWDW-QWRGUYRKSA-N 1 0 292.339 -1.938 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001480619967 892539177 /nfs/dbraw/zinc/53/91/77/892539177.db2.gz ZGFVVIGVOACBRX-JTQLQIEISA-N 1 0 273.358 -1.121 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001480615946 892539241 /nfs/dbraw/zinc/53/92/41/892539241.db2.gz PWOIEMXOMDFIAH-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cncn2C)C1 ZINC001480617078 892539566 /nfs/dbraw/zinc/53/95/66/892539566.db2.gz PARBAGZDXLYFBD-NSHDSACASA-N 1 0 289.339 -1.026 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CC(N)=O ZINC001480754563 892544990 /nfs/dbraw/zinc/54/49/90/892544990.db2.gz TXKDHPMGKRRLFO-NXEZZACHSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CNS(=O)(=O)CC ZINC001480870554 892552919 /nfs/dbraw/zinc/55/29/19/892552919.db2.gz RFBITSCAOQYDJK-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001480941234 892563526 /nfs/dbraw/zinc/56/35/26/892563526.db2.gz BQELPDOZHNSKFG-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001480917107 892564049 /nfs/dbraw/zinc/56/40/49/892564049.db2.gz HHKBBEYCOJITQJ-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCC[N@H+](C)CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001480924654 892564232 /nfs/dbraw/zinc/56/42/32/892564232.db2.gz VDJITLCCJSLQHQ-UHFFFAOYSA-N 1 0 292.339 -1.002 20 30 CAEDRO CN(CCNC(=O)C[NH+]1CCCC1)CC(=O)NCC#N ZINC001480947471 892565682 /nfs/dbraw/zinc/56/56/82/892565682.db2.gz VWGHJMAZWBITQB-UHFFFAOYSA-N 1 0 281.360 -1.230 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001481097039 892577804 /nfs/dbraw/zinc/57/78/04/892577804.db2.gz XLMQKELQPDMIJR-JTQLQIEISA-N 1 0 252.318 -1.013 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001481098926 892579191 /nfs/dbraw/zinc/57/91/91/892579191.db2.gz JTKSOVQYJGDYNA-NSHDSACASA-N 1 0 277.328 -1.347 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001481096322 892580599 /nfs/dbraw/zinc/58/05/99/892580599.db2.gz RAPYENUASBUPIK-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1cnnn1 ZINC001481207789 892581472 /nfs/dbraw/zinc/58/14/72/892581472.db2.gz REEXKNVASQRLKP-SNVBAGLBSA-N 1 0 295.347 -1.588 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001481215596 892581571 /nfs/dbraw/zinc/58/15/71/892581571.db2.gz LILSNUCWLCLEFC-JTQLQIEISA-N 1 0 295.343 -1.848 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001481214479 892582138 /nfs/dbraw/zinc/58/21/38/892582138.db2.gz XDQBGSRQIKDOPB-SNVBAGLBSA-N 1 0 282.344 -1.385 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1cnnn1 ZINC001481207788 892582268 /nfs/dbraw/zinc/58/22/68/892582268.db2.gz REEXKNVASQRLKP-JTQLQIEISA-N 1 0 295.347 -1.588 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)OC ZINC001481211961 892583499 /nfs/dbraw/zinc/58/34/99/892583499.db2.gz SXSWXYYJVODHQP-SNVBAGLBSA-N 1 0 255.318 -1.181 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001481223848 892585886 /nfs/dbraw/zinc/58/58/86/892585886.db2.gz WHPRRABRTGZTNC-VIFPVBQESA-N 1 0 285.348 -1.607 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1ncn(C)n1 ZINC001481227078 892586164 /nfs/dbraw/zinc/58/61/64/892586164.db2.gz NNKDTIYKPFBTFY-UHFFFAOYSA-N 1 0 280.332 -1.221 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481228391 892588113 /nfs/dbraw/zinc/58/81/13/892588113.db2.gz BQFNALKVRFKOLO-VIFPVBQESA-N 1 0 284.316 -1.732 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001481265165 892590785 /nfs/dbraw/zinc/59/07/85/892590785.db2.gz CONVQAJPIZXRDL-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1nnc[nH]1 ZINC001481300761 892597744 /nfs/dbraw/zinc/59/77/44/892597744.db2.gz IECAFIWVDDWWNI-UHFFFAOYSA-N 1 0 280.332 -1.303 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001481499845 892601446 /nfs/dbraw/zinc/60/14/46/892601446.db2.gz YJXWQULTHMSZKU-LLVKDONJSA-N 1 0 267.329 -1.098 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001481580878 892609771 /nfs/dbraw/zinc/60/97/71/892609771.db2.gz GSPPJVFPKMBODF-NSHDSACASA-N 1 0 280.372 -1.124 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001481631858 892617681 /nfs/dbraw/zinc/61/76/81/892617681.db2.gz NZQRGXASZAAQBG-UHFFFAOYSA-N 1 0 282.344 -1.527 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001481743250 892625317 /nfs/dbraw/zinc/62/53/17/892625317.db2.gz CMHDGGCEKFEAGO-RYUDHWBXSA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cnnn1C ZINC001481807245 892628079 /nfs/dbraw/zinc/62/80/79/892628079.db2.gz FMJHXSUUPKWGSY-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CNC(=O)OC ZINC001481794019 892628700 /nfs/dbraw/zinc/62/87/00/892628700.db2.gz LERBGUTVNJHGKT-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO CC[C@@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001481820391 892628721 /nfs/dbraw/zinc/62/87/21/892628721.db2.gz DJSRSVGOCFNJKS-VIFPVBQESA-N 1 0 297.359 -1.378 20 30 CAEDRO C#CC[NH2+][C@@H](CC)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001481883160 892630844 /nfs/dbraw/zinc/63/08/44/892630844.db2.gz WNUJAKPFRJISIR-VIFPVBQESA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)C(N)=O)CCCC1 ZINC001481904012 892631495 /nfs/dbraw/zinc/63/14/95/892631495.db2.gz BBODGKZHSCITID-UHFFFAOYSA-N 1 0 280.328 -1.760 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]CC(=O)NCC#N ZINC001482095959 892633506 /nfs/dbraw/zinc/63/35/06/892633506.db2.gz DZSFVCPMFTVXPI-BDAKNGLRSA-N 1 0 297.315 -1.924 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482757333 892689234 /nfs/dbraw/zinc/68/92/34/892689234.db2.gz HYFSHWAFYYJXHN-DTWKUNHWSA-N 1 0 254.290 -2.290 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001482129291 892636390 /nfs/dbraw/zinc/63/63/90/892636390.db2.gz ZGYNDPSUFFBASD-SNVBAGLBSA-N 1 0 290.389 -1.595 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(N)=O ZINC001482139212 892636534 /nfs/dbraw/zinc/63/65/34/892636534.db2.gz QDJDCYHHAYMCKK-MRVPVSSYSA-N 1 0 256.306 -1.884 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001482109982 892636630 /nfs/dbraw/zinc/63/66/30/892636630.db2.gz LGASCJIFJZFVST-NEPJUHHUSA-N 1 0 280.372 -1.089 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001482153382 892638612 /nfs/dbraw/zinc/63/86/12/892638612.db2.gz SAUXSTZEXMRRQH-NXEZZACHSA-N 1 0 292.343 -1.102 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](C)C[NH2+]CC(N)=O)nn1 ZINC001482148080 892638784 /nfs/dbraw/zinc/63/87/84/892638784.db2.gz CYOTYWIZOGVSCF-SECBINFHSA-N 1 0 280.332 -1.095 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1COCCO1 ZINC001482258830 892642896 /nfs/dbraw/zinc/64/28/96/892642896.db2.gz DAFWUJCEYGUJJT-QWRGUYRKSA-N 1 0 298.343 -1.522 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C(N)=O)CCCC1 ZINC001482228915 892643119 /nfs/dbraw/zinc/64/31/19/892643119.db2.gz ZIYCMOPQEQDWNQ-SNVBAGLBSA-N 1 0 294.355 -1.372 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1COCCO1 ZINC001482258828 892643213 /nfs/dbraw/zinc/64/32/13/892643213.db2.gz DAFWUJCEYGUJJT-MNOVXSKESA-N 1 0 298.343 -1.522 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001482279942 892645607 /nfs/dbraw/zinc/64/56/07/892645607.db2.gz OYOMVRFWKWLWBO-SNVBAGLBSA-N 1 0 292.343 -1.385 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001482418732 892648342 /nfs/dbraw/zinc/64/83/42/892648342.db2.gz WJQHQAXOOUAMDO-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CC(N)=O)C(C)C ZINC001482517114 892648455 /nfs/dbraw/zinc/64/84/55/892648455.db2.gz GTYFOXYRZHLFJO-MNOVXSKESA-N 1 0 296.371 -1.270 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001482362386 892648887 /nfs/dbraw/zinc/64/88/87/892648887.db2.gz VNWGPNXFJOAXMY-JTQLQIEISA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001482360702 892649698 /nfs/dbraw/zinc/64/96/98/892649698.db2.gz IIZUTFVKWNOADR-SECBINFHSA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)CC(N)=O)C(C)C ZINC001482517116 892649807 /nfs/dbraw/zinc/64/98/07/892649807.db2.gz GTYFOXYRZHLFJO-QWRGUYRKSA-N 1 0 296.371 -1.270 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CNS(=O)(=O)N(C)C ZINC001482336947 892649965 /nfs/dbraw/zinc/64/99/65/892649965.db2.gz FXBRCMHKJJPQAG-JTQLQIEISA-N 1 0 290.389 -1.548 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001482337580 892650270 /nfs/dbraw/zinc/65/02/70/892650270.db2.gz ARZIRAATVFKNCC-PWSUYJOCSA-N 1 0 296.371 -1.174 20 30 CAEDRO COCC#CC[NH2+][C@H](CNC(=O)C(N)=O)C(C)C ZINC001482550656 892652084 /nfs/dbraw/zinc/65/20/84/892652084.db2.gz IHGGODLIGZSDJV-SNVBAGLBSA-N 1 0 255.318 -1.148 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001482689473 892656944 /nfs/dbraw/zinc/65/69/44/892656944.db2.gz ZUNFWUULHQMKTP-MNOVXSKESA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)COC ZINC001482698799 892657885 /nfs/dbraw/zinc/65/78/85/892657885.db2.gz NGCJUTLLOHTUQM-SECBINFHSA-N 1 0 257.290 -2.551 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001482705288 892659953 /nfs/dbraw/zinc/65/99/53/892659953.db2.gz RPXDIAVNGVJJIZ-JTQLQIEISA-N 1 0 254.286 -1.035 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001482705822 892660556 /nfs/dbraw/zinc/66/05/56/892660556.db2.gz OHDYJXANFSKQGC-WDEREUQCSA-N 1 0 283.328 -2.019 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001482705821 892660817 /nfs/dbraw/zinc/66/08/17/892660817.db2.gz OHDYJXANFSKQGC-QWRGUYRKSA-N 1 0 283.328 -2.019 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(C)=O ZINC001482703252 892661394 /nfs/dbraw/zinc/66/13/94/892661394.db2.gz UMLJNPCVJUOPON-ONGXEEELSA-N 1 0 298.343 -2.673 20 30 CAEDRO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001482710314 892662796 /nfs/dbraw/zinc/66/27/96/892662796.db2.gz WNLXWEIVOAPOHN-JTQLQIEISA-N 1 0 299.331 -2.829 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccn1C ZINC001482710070 892663131 /nfs/dbraw/zinc/66/31/31/892663131.db2.gz YJBJAZAPHMVEFM-LLVKDONJSA-N 1 0 292.339 -1.545 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)OC ZINC001482710557 892663244 /nfs/dbraw/zinc/66/32/44/892663244.db2.gz AKFISVDWDFHMHG-VIFPVBQESA-N 1 0 257.290 -1.568 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001482710454 892664062 /nfs/dbraw/zinc/66/40/62/892664062.db2.gz YQRDZILTEQYKFF-SECBINFHSA-N 1 0 281.316 -1.608 20 30 CAEDRO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001482710315 892664771 /nfs/dbraw/zinc/66/47/71/892664771.db2.gz WNLXWEIVOAPOHN-SNVBAGLBSA-N 1 0 299.331 -2.829 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnn1C ZINC001482714232 892666268 /nfs/dbraw/zinc/66/62/68/892666268.db2.gz UDGWXMPKMUNMDD-NSHDSACASA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccon1 ZINC001482711193 892667842 /nfs/dbraw/zinc/66/78/42/892667842.db2.gz KYQLCQDTTHKIFX-NXEZZACHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001482716817 892669712 /nfs/dbraw/zinc/66/97/12/892669712.db2.gz QZJCYXFHUYGZFG-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001482716665 892670269 /nfs/dbraw/zinc/67/02/69/892670269.db2.gz ZGUNVJQZDXDZLP-NSHDSACASA-N 1 0 293.327 -2.232 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001482717405 892670559 /nfs/dbraw/zinc/67/05/59/892670559.db2.gz BUQWAQBWQLHOOA-NWDGAFQWSA-N 1 0 271.361 -1.040 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001482718329 892671342 /nfs/dbraw/zinc/67/13/42/892671342.db2.gz METPZVPCVFXWFN-DCQANWLSSA-N 1 0 294.355 -1.261 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001482716476 892671517 /nfs/dbraw/zinc/67/15/17/892671517.db2.gz WLKSYPVKVWEOLJ-SECBINFHSA-N 1 0 257.290 -2.422 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482716989 892671639 /nfs/dbraw/zinc/67/16/39/892671639.db2.gz VGLZBVXJHAJILQ-ZJUUUORDSA-N 1 0 268.317 -1.555 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)/C(C)=C/C ZINC001482718626 892671791 /nfs/dbraw/zinc/67/17/91/892671791.db2.gz JWVGDUQDBMRGQV-UAWPZABVSA-N 1 0 267.329 -1.231 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC(N)=O ZINC001482716223 892671889 /nfs/dbraw/zinc/67/18/89/892671889.db2.gz TWTFQAOTWMOJAW-QMMMGPOBSA-N 1 0 270.289 -3.322 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001482722373 892674613 /nfs/dbraw/zinc/67/46/13/892674613.db2.gz LZIQZOPAXUGUKL-GFCCVEGCSA-N 1 0 271.361 -1.039 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001482721594 892674654 /nfs/dbraw/zinc/67/46/54/892674654.db2.gz LQGFZWZADAYZRF-DTWKUNHWSA-N 1 0 256.306 -1.867 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)[nH]1 ZINC001482722621 892674742 /nfs/dbraw/zinc/67/47/42/892674742.db2.gz NTSMUWFYCCYQTI-NXEZZACHSA-N 1 0 291.311 -1.545 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CCOCCO ZINC001482727309 892676323 /nfs/dbraw/zinc/67/63/23/892676323.db2.gz OJFLFCKPAPWXJO-LBPRGKRZSA-N 1 0 272.345 -1.279 20 30 CAEDRO CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C#CC2CC2)C1=O ZINC001482728981 892676947 /nfs/dbraw/zinc/67/69/47/892676947.db2.gz OANQFHBUYHBZEW-NEPJUHHUSA-N 1 0 279.340 -1.303 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001482729702 892676975 /nfs/dbraw/zinc/67/69/75/892676975.db2.gz VDNYEIBNYSGRPN-SNVBAGLBSA-N 1 0 298.343 -2.002 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001482727725 892677169 /nfs/dbraw/zinc/67/71/69/892677169.db2.gz CVLJFJYPPAHZGS-NWDGAFQWSA-N 1 0 281.356 -1.057 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CCOCCO ZINC001482727308 892677197 /nfs/dbraw/zinc/67/71/97/892677197.db2.gz OJFLFCKPAPWXJO-GFCCVEGCSA-N 1 0 272.345 -1.279 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001482727727 892677673 /nfs/dbraw/zinc/67/76/73/892677673.db2.gz CVLJFJYPPAHZGS-RYUDHWBXSA-N 1 0 281.356 -1.057 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001482727729 892677764 /nfs/dbraw/zinc/67/77/64/892677764.db2.gz CVLJFJYPPAHZGS-VXGBXAGGSA-N 1 0 281.356 -1.057 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001482729410 892677992 /nfs/dbraw/zinc/67/79/92/892677992.db2.gz ZPFSMCUIPRVYQM-UWVGGRQHSA-N 1 0 255.318 -1.414 20 30 CAEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001482730329 892678051 /nfs/dbraw/zinc/67/80/51/892678051.db2.gz WZHRCTDDJRLKLE-SNVBAGLBSA-N 1 0 268.321 -1.294 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001482736410 892679424 /nfs/dbraw/zinc/67/94/24/892679424.db2.gz WUWHEDIZWCRVKW-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001482734507 892679535 /nfs/dbraw/zinc/67/95/35/892679535.db2.gz KQGCIHGPWJSBOD-NWDGAFQWSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001482735316 892680571 /nfs/dbraw/zinc/68/05/71/892680571.db2.gz KHKMBGPYBSPDGZ-MRVPVSSYSA-N 1 0 274.284 -1.334 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN(C)S(C)(=O)=O ZINC001482736450 892680696 /nfs/dbraw/zinc/68/06/96/892680696.db2.gz XEPWVWGCRVMFLU-SECBINFHSA-N 1 0 277.346 -2.422 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001482730413 892680749 /nfs/dbraw/zinc/68/07/49/892680749.db2.gz YMHNSTOALZSCPY-SNVBAGLBSA-N 1 0 277.328 -1.144 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN(C)C(=O)COC ZINC001482735564 892680791 /nfs/dbraw/zinc/68/07/91/892680791.db2.gz PEDFGRARKDKSCM-LLVKDONJSA-N 1 0 285.344 -1.819 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN(C)C(=O)COC ZINC001482733161 892680844 /nfs/dbraw/zinc/68/08/44/892680844.db2.gz BPENSDHURRCJCT-SNVBAGLBSA-N 1 0 271.317 -2.209 20 30 CAEDRO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC#N)CC[N@@H+]1C ZINC001482730732 892680997 /nfs/dbraw/zinc/68/09/97/892680997.db2.gz GAVDUOKLHBFZKB-GMTAPVOTSA-N 1 0 254.334 -1.083 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1=O ZINC001482737904 892682662 /nfs/dbraw/zinc/68/26/62/892682662.db2.gz VVGTULXYDPAGNC-JTQLQIEISA-N 1 0 271.317 -1.902 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001482738150 892682214 /nfs/dbraw/zinc/68/22/14/892682214.db2.gz ALFBWVVXLKXJBF-GWCFXTLKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001482738825 892682559 /nfs/dbraw/zinc/68/25/59/892682559.db2.gz CELGYIVTIDBWLM-GFCCVEGCSA-N 1 0 293.367 -1.007 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)CNC(C)=O ZINC001482744398 892683046 /nfs/dbraw/zinc/68/30/46/892683046.db2.gz UROLKZCOLBZILZ-LLVKDONJSA-N 1 0 298.343 -2.671 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC(OC)C1 ZINC001482739037 892683210 /nfs/dbraw/zinc/68/32/10/892683210.db2.gz FGXYEJDDLQSQGJ-MOENNCHZSA-N 1 0 297.355 -1.773 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001482740131 892683495 /nfs/dbraw/zinc/68/34/95/892683495.db2.gz QDIQZXGZVSDJPU-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001482740602 892683776 /nfs/dbraw/zinc/68/37/76/892683776.db2.gz BNRLVSVWBZCVMS-ZWNOBZJWSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001482748074 892686515 /nfs/dbraw/zinc/68/65/15/892686515.db2.gz SXUVDWFDWWZOOA-WDEREUQCSA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482758347 892688112 /nfs/dbraw/zinc/68/81/12/892688112.db2.gz YZEFAVXANHULIB-ZJUUUORDSA-N 1 0 268.317 -1.900 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](F)C(C)C ZINC001482758884 892688204 /nfs/dbraw/zinc/68/82/04/892688204.db2.gz LNRRENPHENOGAT-CMPLNLGQSA-N 1 0 287.335 -1.203 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482757997 892688488 /nfs/dbraw/zinc/68/84/88/892688488.db2.gz UPELTYZCXCQZFL-UWVGGRQHSA-N 1 0 268.317 -1.900 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482757996 892689550 /nfs/dbraw/zinc/68/95/50/892689550.db2.gz UPELTYZCXCQZFL-NXEZZACHSA-N 1 0 268.317 -1.900 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482758346 892689658 /nfs/dbraw/zinc/68/96/58/892689658.db2.gz YZEFAVXANHULIB-VHSXEESVSA-N 1 0 268.317 -1.900 20 30 CAEDRO NC(=O)C(=O)NC[C@H](O)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001482765287 892691455 /nfs/dbraw/zinc/69/14/55/892691455.db2.gz IOHOXDGNIOMNAF-GFCCVEGCSA-N 1 0 293.298 -1.271 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001482766820 892691486 /nfs/dbraw/zinc/69/14/86/892691486.db2.gz JFAFQQUNJUMRHO-LLVKDONJSA-N 1 0 294.355 -1.117 20 30 CAEDRO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001482770524 892694057 /nfs/dbraw/zinc/69/40/57/892694057.db2.gz TVQNFKNVENANBR-CHWSQXEVSA-N 1 0 299.371 -1.382 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001482769510 892694065 /nfs/dbraw/zinc/69/40/65/892694065.db2.gz HALGFSBQHXFBNK-GHMZBOCLSA-N 1 0 294.359 -1.122 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001482769617 892694223 /nfs/dbraw/zinc/69/42/23/892694223.db2.gz JHMRHIMWBFLAQI-AEJSXWLSSA-N 1 0 253.302 -1.802 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001482770397 892694245 /nfs/dbraw/zinc/69/42/45/892694245.db2.gz RCPASDPKSAJXHQ-LLVKDONJSA-N 1 0 265.317 -1.552 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001482769088 892694250 /nfs/dbraw/zinc/69/42/50/892694250.db2.gz FLKURGMSRJRQGP-MRVPVSSYSA-N 1 0 264.285 -1.573 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccnnc1 ZINC001482771715 892694454 /nfs/dbraw/zinc/69/44/54/892694454.db2.gz KWXWFTUEOCDNRL-NSHDSACASA-N 1 0 291.311 -2.094 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001482769841 892694475 /nfs/dbraw/zinc/69/44/75/892694475.db2.gz LAJKKXMPMRSRAV-AXFHLTTASA-N 1 0 285.344 -1.610 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1conc1C ZINC001482768717 892695063 /nfs/dbraw/zinc/69/50/63/892695063.db2.gz ZVYBVHGHRZJZQD-JTQLQIEISA-N 1 0 296.327 -1.034 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001482769008 892695086 /nfs/dbraw/zinc/69/50/86/892695086.db2.gz CXQAISZCFRGVGQ-GRYCIOLGSA-N 1 0 281.356 -1.022 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001482769511 892695610 /nfs/dbraw/zinc/69/56/10/892695610.db2.gz HALGFSBQHXFBNK-MNOVXSKESA-N 1 0 294.359 -1.122 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]n1 ZINC001482768971 892696025 /nfs/dbraw/zinc/69/60/25/892696025.db2.gz CKLDIWSRFIXPND-SNVBAGLBSA-N 1 0 253.306 -1.010 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001482768635 892696038 /nfs/dbraw/zinc/69/60/38/892696038.db2.gz WNNRDXWMVGUCMD-GXFFZTMASA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(N)=O ZINC001482767822 892696079 /nfs/dbraw/zinc/69/60/79/892696079.db2.gz VMLQSNAXARFSJB-ZETCQYMHSA-N 1 0 258.278 -3.159 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001482769845 892696087 /nfs/dbraw/zinc/69/60/87/892696087.db2.gz LAJKKXMPMRSRAV-MXWKQRLJSA-N 1 0 285.344 -1.610 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnon1 ZINC001482779076 892698473 /nfs/dbraw/zinc/69/84/73/892698473.db2.gz GJCKMGQUOPVUMB-MRVPVSSYSA-N 1 0 283.288 -1.948 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001482778279 892699021 /nfs/dbraw/zinc/69/90/21/892699021.db2.gz LLVSPZGJYMDNTF-DTWKUNHWSA-N 1 0 296.331 -1.824 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001482778280 892699062 /nfs/dbraw/zinc/69/90/62/892699062.db2.gz LLVSPZGJYMDNTF-IUCAKERBSA-N 1 0 296.331 -1.824 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001482775207 892699199 /nfs/dbraw/zinc/69/91/99/892699199.db2.gz LJLCNIZMZXMRBU-VIFPVBQESA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnon1 ZINC001482779077 892699348 /nfs/dbraw/zinc/69/93/48/892699348.db2.gz GJCKMGQUOPVUMB-QMMMGPOBSA-N 1 0 283.288 -1.948 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCn1cnccc1=O ZINC001482781555 892700410 /nfs/dbraw/zinc/70/04/10/892700410.db2.gz RWFCPTXNXNPYHR-NSHDSACASA-N 1 0 278.312 -1.667 20 30 CAEDRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CCOC1 ZINC001482780526 892700721 /nfs/dbraw/zinc/70/07/21/892700721.db2.gz BVWLSHOMMOWPLM-MFKMUULPSA-N 1 0 298.343 -1.881 20 30 CAEDRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CCOC1 ZINC001482780525 892701030 /nfs/dbraw/zinc/70/10/30/892701030.db2.gz BVWLSHOMMOWPLM-GXFFZTMASA-N 1 0 298.343 -1.881 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001482782758 892703046 /nfs/dbraw/zinc/70/30/46/892703046.db2.gz IAPOTRVKGHLJDI-JTQLQIEISA-N 1 0 298.343 -1.429 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001482791285 892704892 /nfs/dbraw/zinc/70/48/92/892704892.db2.gz RQLNCXGNIWLONE-JTQLQIEISA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CS(=O)(=O)C(C)C ZINC001482791411 892705615 /nfs/dbraw/zinc/70/56/15/892705615.db2.gz AWTWRSGDCPXOIN-SNVBAGLBSA-N 1 0 276.358 -1.491 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482790078 892705860 /nfs/dbraw/zinc/70/58/60/892705860.db2.gz UVEZWAGKZCGBTD-MNOVXSKESA-N 1 0 283.328 -2.019 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001482801574 892707791 /nfs/dbraw/zinc/70/77/91/892707791.db2.gz KJBSSKAFPPXVJX-VHSXEESVSA-N 1 0 281.312 -1.871 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001482798246 892707911 /nfs/dbraw/zinc/70/79/11/892707911.db2.gz YNKDGWGZFLSTIG-NEPJUHHUSA-N 1 0 271.361 -1.040 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001482801575 892708001 /nfs/dbraw/zinc/70/80/01/892708001.db2.gz KJBSSKAFPPXVJX-ZJUUUORDSA-N 1 0 281.312 -1.871 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001482795794 892709005 /nfs/dbraw/zinc/70/90/05/892709005.db2.gz WNZDGZLEYNBBCW-ZJUUUORDSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001482800002 892709448 /nfs/dbraw/zinc/70/94/48/892709448.db2.gz WLBDBLKVDBFZTA-UWVGGRQHSA-N 1 0 268.317 -1.771 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001482795793 892709640 /nfs/dbraw/zinc/70/96/40/892709640.db2.gz WNZDGZLEYNBBCW-VHSXEESVSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001482797263 892709924 /nfs/dbraw/zinc/70/99/24/892709924.db2.gz MTYIORNECNWJNF-ZJUUUORDSA-N 1 0 274.342 -1.737 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001482800003 892709943 /nfs/dbraw/zinc/70/99/43/892709943.db2.gz WLBDBLKVDBFZTA-ZJUUUORDSA-N 1 0 268.317 -1.771 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001482861721 892711753 /nfs/dbraw/zinc/71/17/53/892711753.db2.gz YKUBWJJPYRKLEJ-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cnnn1C ZINC001482829335 892711783 /nfs/dbraw/zinc/71/17/83/892711783.db2.gz ZRQCIANJLCHURR-VIFPVBQESA-N 1 0 293.331 -1.447 20 30 CAEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001482835516 892712582 /nfs/dbraw/zinc/71/25/82/892712582.db2.gz WFEIBABRBMFHQO-SNVBAGLBSA-N 1 0 292.343 -1.115 20 30 CAEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001482863226 892712783 /nfs/dbraw/zinc/71/27/83/892712783.db2.gz HQSIQUZYXIYBRE-JTQLQIEISA-N 1 0 280.332 -1.042 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H](C)NC(N)=O ZINC001482919897 892714909 /nfs/dbraw/zinc/71/49/09/892714909.db2.gz VZRQVYAKNDVSJS-JTQLQIEISA-N 1 0 297.359 -1.769 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1COCCO1 ZINC001482922967 892715892 /nfs/dbraw/zinc/71/58/92/892715892.db2.gz ZIZXQDUZGGEKBX-NSHDSACASA-N 1 0 298.343 -1.520 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001482982356 892717427 /nfs/dbraw/zinc/71/74/27/892717427.db2.gz XTONAHWUSRLWIT-PCAWENJQSA-N 1 0 297.355 -1.034 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001482982355 892717620 /nfs/dbraw/zinc/71/76/20/892717620.db2.gz XTONAHWUSRLWIT-MVZIDQBPSA-N 1 0 297.355 -1.034 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1COCCO1 ZINC001482982357 892718675 /nfs/dbraw/zinc/71/86/75/892718675.db2.gz XTONAHWUSRLWIT-VSQXVHSFSA-N 1 0 297.355 -1.034 20 30 CAEDRO Cn1cnc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)c1 ZINC001482996716 892721247 /nfs/dbraw/zinc/72/12/47/892721247.db2.gz HAIRVMMTAOQDMH-NSCUHMNNSA-N 1 0 290.327 -1.065 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CN1CCOCC1=O ZINC001483020288 892722002 /nfs/dbraw/zinc/72/20/02/892722002.db2.gz ZAQUMTIVICGVPF-ONEGZZNKSA-N 1 0 265.313 -1.260 20 30 CAEDRO C#CCC[NH2+]C/C=C/CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001483019458 892723408 /nfs/dbraw/zinc/72/34/08/892723408.db2.gz JWTJMSDDSRCHEE-YEZKRMTDSA-N 1 0 278.312 -1.130 20 30 CAEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483066318 892725899 /nfs/dbraw/zinc/72/58/99/892725899.db2.gz UIKLFTWOJHTFEY-YEZKRMTDSA-N 1 0 278.312 -1.130 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC=CCNC(=O)c1nnc[nH]1 ZINC001483069763 892726320 /nfs/dbraw/zinc/72/63/20/892726320.db2.gz ARXNAENOMKSGRQ-ONEGZZNKSA-N 1 0 278.316 -1.018 20 30 CAEDRO CC#CC[NH2+]C/C=C\CNC(=O)c1cn(CC(N)=O)nn1 ZINC001483099571 892728587 /nfs/dbraw/zinc/72/85/87/892728587.db2.gz ZVKSAEWUKHGPAN-PLNGDYQASA-N 1 0 290.327 -1.338 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CN1C(=O)CN(C)C1=O ZINC001483090649 892728886 /nfs/dbraw/zinc/72/88/86/892728886.db2.gz ABUODKPCMXEMBM-PLNGDYQASA-N 1 0 278.312 -1.224 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001483096144 892729587 /nfs/dbraw/zinc/72/95/87/892729587.db2.gz JGTBGOBNELWCKE-XOULXFPDSA-N 1 0 271.342 -1.427 20 30 CAEDRO CC#CC[NH2+]C/C=C/CNC(=O)c1cn(CC(N)=O)nn1 ZINC001483099572 892729701 /nfs/dbraw/zinc/72/97/01/892729701.db2.gz ZVKSAEWUKHGPAN-SNAWJCMRSA-N 1 0 290.327 -1.338 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001483108161 892730220 /nfs/dbraw/zinc/73/02/20/892730220.db2.gz YOFGXOQYEKFJGV-ZJUUUORDSA-N 1 0 295.347 -1.542 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001483096142 892730262 /nfs/dbraw/zinc/73/02/62/892730262.db2.gz JGTBGOBNELWCKE-HMDXOVGESA-N 1 0 271.342 -1.427 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1ncc[nH]1 ZINC001483076271 892730462 /nfs/dbraw/zinc/73/04/62/892730462.db2.gz DFQHHIFXNCKJNX-OWOJBTEDSA-N 1 0 290.327 -1.146 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(CC)n1 ZINC001483126015 892731948 /nfs/dbraw/zinc/73/19/48/892731948.db2.gz LXUPJAUGJMAPGI-SNVBAGLBSA-N 1 0 292.343 -1.245 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001483127568 892733100 /nfs/dbraw/zinc/73/31/00/892733100.db2.gz FPNYVCDRBDDHTM-MNOVXSKESA-N 1 0 280.328 -1.241 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001483126507 892733511 /nfs/dbraw/zinc/73/35/11/892733511.db2.gz SGYPHQUOUVYRGC-NXEZZACHSA-N 1 0 292.343 -1.339 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001483136326 892734094 /nfs/dbraw/zinc/73/40/94/892734094.db2.gz NZBUBIBDMHCLCF-SFYZADRCSA-N 1 0 254.290 -1.135 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483164289 892735188 /nfs/dbraw/zinc/73/51/88/892735188.db2.gz XFMMEMWOEGNHTQ-ZJUUUORDSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001483162283 892735494 /nfs/dbraw/zinc/73/54/94/892735494.db2.gz NXNZSIDLQSIOLK-RKDXNWHRSA-N 1 0 281.316 -2.489 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]c(=O)c1 ZINC001483138697 892735820 /nfs/dbraw/zinc/73/58/20/892735820.db2.gz RTCZPAGLSBLXAN-MRVPVSSYSA-N 1 0 292.299 -1.470 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1c[nH]c(=O)cn1 ZINC001483161463 892736847 /nfs/dbraw/zinc/73/68/47/892736847.db2.gz IURHNAPHQUWBJK-MRVPVSSYSA-N 1 0 292.299 -1.882 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccncn1 ZINC001483176919 892739406 /nfs/dbraw/zinc/73/94/06/892739406.db2.gz DJDMKGPQNSIXSG-SECBINFHSA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnn(C)c1 ZINC001483207151 892739417 /nfs/dbraw/zinc/73/94/17/892739417.db2.gz DYTZFXZWEVRUBY-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CNC(C)=O ZINC001483204731 892741030 /nfs/dbraw/zinc/74/10/30/892741030.db2.gz KPDJRAIKVMNRIS-UWVGGRQHSA-N 1 0 284.360 -1.093 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001483227100 892742213 /nfs/dbraw/zinc/74/22/13/892742213.db2.gz UJWMZMOLTZQWIP-NWDGAFQWSA-N 1 0 297.355 -1.364 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483215402 892742685 /nfs/dbraw/zinc/74/26/85/892742685.db2.gz OVXPMDQHCWSZDS-IUCAKERBSA-N 1 0 251.290 -1.120 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC(=O)NCC ZINC001483221435 892744096 /nfs/dbraw/zinc/74/40/96/892744096.db2.gz KXYUARRNSQKFKM-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001483226800 892744269 /nfs/dbraw/zinc/74/42/69/892744269.db2.gz JMDBSTNRMWJMKQ-IUCAKERBSA-N 1 0 284.316 -1.686 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C(C)(C)C(N)=O ZINC001483236818 892746926 /nfs/dbraw/zinc/74/69/26/892746926.db2.gz BAJUXEIAWPFMAL-QMMMGPOBSA-N 1 0 283.332 -1.768 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483266929 892751778 /nfs/dbraw/zinc/75/17/78/892751778.db2.gz XRJQNGCMNHEASE-YIZRAAEISA-N 1 0 281.316 -2.158 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001483275289 892751723 /nfs/dbraw/zinc/75/17/23/892751723.db2.gz JETQLCBLANYDAT-JTQLQIEISA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cncn1 ZINC001483290960 892752332 /nfs/dbraw/zinc/75/23/32/892752332.db2.gz SNKIJUQLIGRRCL-WDEREUQCSA-N 1 0 292.343 -1.490 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)Cn1cnnn1 ZINC001483452411 892763707 /nfs/dbraw/zinc/76/37/07/892763707.db2.gz WOEDBENABAEOES-UHFFFAOYSA-N 1 0 294.319 -2.249 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)CNC(=O)NC ZINC001483469308 892764681 /nfs/dbraw/zinc/76/46/81/892764681.db2.gz PRMAYEJJKACAPJ-UHFFFAOYSA-N 1 0 297.359 -1.897 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)C(N)=O ZINC001483489325 892765064 /nfs/dbraw/zinc/76/50/64/892765064.db2.gz UOKFWTOYOAAMEB-UHFFFAOYSA-N 1 0 256.306 -1.788 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)Cn1cnnn1 ZINC001483452139 892765447 /nfs/dbraw/zinc/76/54/47/892765447.db2.gz QKRGMJLNAONZHQ-UHFFFAOYSA-N 1 0 293.331 -2.139 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)CN1CCOCC1=O)C1CC1 ZINC001483565219 892770262 /nfs/dbraw/zinc/77/02/62/892770262.db2.gz CDTIQXFBTWDUPQ-LBPRGKRZSA-N 1 0 279.340 -1.037 20 30 CAEDRO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001483667700 892778744 /nfs/dbraw/zinc/77/87/44/892778744.db2.gz NSJLODNAKKNOMZ-JTQLQIEISA-N 1 0 290.389 -1.193 20 30 CAEDRO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001483667701 892779345 /nfs/dbraw/zinc/77/93/45/892779345.db2.gz NSJLODNAKKNOMZ-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)c2cnccn2)CC1 ZINC001483712251 892780587 /nfs/dbraw/zinc/78/05/87/892780587.db2.gz FSJYOEXWHYSRQQ-UHFFFAOYSA-N 1 0 288.311 -1.032 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001483734940 892784889 /nfs/dbraw/zinc/78/48/89/892784889.db2.gz KGEORHWMRYNWHC-UHFFFAOYSA-N 1 0 276.300 -1.751 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001483722891 892785421 /nfs/dbraw/zinc/78/54/21/892785421.db2.gz YJNJMMQBWORJAG-VIFPVBQESA-N 1 0 280.328 -1.762 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001483745571 892787035 /nfs/dbraw/zinc/78/70/35/892787035.db2.gz DOLBPXXTXSZTAR-UHFFFAOYSA-N 1 0 277.288 -1.704 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001483792009 892790263 /nfs/dbraw/zinc/79/02/63/892790263.db2.gz FLKCVMFQIUVKMH-SECBINFHSA-N 1 0 278.312 -1.154 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001483792010 892790560 /nfs/dbraw/zinc/79/05/60/892790560.db2.gz FLKCVMFQIUVKMH-VIFPVBQESA-N 1 0 278.312 -1.154 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2nnn(C)n2)CC1 ZINC001483759283 892790918 /nfs/dbraw/zinc/79/09/18/892790918.db2.gz BLLDTRIRYDTNLE-UHFFFAOYSA-N 1 0 291.315 -2.189 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001484021763 892796175 /nfs/dbraw/zinc/79/61/75/892796175.db2.gz FSTNTFUEFARFOG-CQSZACIVSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+](CCO)CC1 ZINC001483986680 892796703 /nfs/dbraw/zinc/79/67/03/892796703.db2.gz OHVIDECAMDRPSK-UHFFFAOYSA-N 1 0 253.302 -1.610 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483946997 892796890 /nfs/dbraw/zinc/79/68/90/892796890.db2.gz WBARVZNGBKJWPR-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001484110785 892799244 /nfs/dbraw/zinc/79/92/44/892799244.db2.gz OWEASEMICWUMRI-QMTHXVAHSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001484049731 892801686 /nfs/dbraw/zinc/80/16/86/892801686.db2.gz PSQDIVBISWZZSA-AWEZNQCLSA-N 1 0 294.355 -1.548 20 30 CAEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001484053198 892802260 /nfs/dbraw/zinc/80/22/60/892802260.db2.gz AOQUYWDCAHYGEW-NSHDSACASA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001484200363 892808043 /nfs/dbraw/zinc/80/80/43/892808043.db2.gz AKJLXICSNPUDBX-LLVKDONJSA-N 1 0 264.289 -2.141 20 30 CAEDRO C=CCC[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001484230522 892813169 /nfs/dbraw/zinc/81/31/69/892813169.db2.gz HVSZGDRYYGIZNH-LBPRGKRZSA-N 1 0 280.332 -1.047 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001484223442 892817136 /nfs/dbraw/zinc/81/71/36/892817136.db2.gz NAJSVRKSSINDCO-ZFWWWQNUSA-N 1 0 295.383 -1.371 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001484227021 892819069 /nfs/dbraw/zinc/81/90/69/892819069.db2.gz ZLFIVQAINRYFKG-BXUZGUMPSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001484238232 892823203 /nfs/dbraw/zinc/82/32/03/892823203.db2.gz SAZMBBFVLDVYPE-ZDUSSCGKSA-N 1 0 277.328 -1.077 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484233791 892823495 /nfs/dbraw/zinc/82/34/95/892823495.db2.gz MWZZXAYJQZDZLX-CYBMUJFWSA-N 1 0 279.340 -1.172 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001484242665 892823752 /nfs/dbraw/zinc/82/37/52/892823752.db2.gz KUAZVJNIWRTONX-AWEZNQCLSA-N 1 0 279.340 -1.301 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001484243439 892824334 /nfs/dbraw/zinc/82/43/34/892824334.db2.gz WQXMGSCSABYYEL-CYBMUJFWSA-N 1 0 292.343 -1.361 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001484234252 892824883 /nfs/dbraw/zinc/82/48/83/892824883.db2.gz SYOHQPAITITKHT-CQSZACIVSA-N 1 0 290.323 -1.040 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)CNC(=O)OC ZINC001484477592 892864122 /nfs/dbraw/zinc/86/41/22/892864122.db2.gz OEODRJWHRYQUPV-UHFFFAOYSA-N 1 0 271.317 -1.224 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001484372345 892853484 /nfs/dbraw/zinc/85/34/84/892853484.db2.gz BQYFEGUAWUGUBP-STQMWFEESA-N 1 0 292.383 -1.265 20 30 CAEDRO C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001484411725 892856768 /nfs/dbraw/zinc/85/67/68/892856768.db2.gz DSRHYVHYOGZXKK-AOOOYVTPSA-N 1 0 280.328 -1.836 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)C(C)C ZINC001484475776 892861300 /nfs/dbraw/zinc/86/13/00/892861300.db2.gz ICTDRZBTNOJRHR-UHFFFAOYSA-N 1 0 269.345 -1.198 20 30 CAEDRO CC(F)(F)C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N ZINC001484474650 892861406 /nfs/dbraw/zinc/86/14/06/892861406.db2.gz PPQSTICRPIUFOP-UHFFFAOYSA-N 1 0 292.286 -1.308 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCO1 ZINC001484477518 892862958 /nfs/dbraw/zinc/86/29/58/892862958.db2.gz ZGUMLTIASVDTKF-LLVKDONJSA-N 1 0 298.343 -1.784 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCO1 ZINC001484477519 892863198 /nfs/dbraw/zinc/86/31/98/892863198.db2.gz ZGUMLTIASVDTKF-NSHDSACASA-N 1 0 298.343 -1.784 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C(F)F ZINC001484473765 892864152 /nfs/dbraw/zinc/86/41/52/892864152.db2.gz HYMCRIVYJJKBQH-SECBINFHSA-N 1 0 291.298 -1.200 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cc[n+]([O-])cc1 ZINC001484476831 892863942 /nfs/dbraw/zinc/86/39/42/892863942.db2.gz PAYFKWQXXXTYGX-UHFFFAOYSA-N 1 0 263.297 -1.023 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cn[nH]c1 ZINC001484475783 892865134 /nfs/dbraw/zinc/86/51/34/892865134.db2.gz IIQYARLSDSQMJC-UHFFFAOYSA-N 1 0 293.327 -1.817 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)CN1CCOCC1=O ZINC001484485026 892866148 /nfs/dbraw/zinc/86/61/48/892866148.db2.gz UARUOUVRAWLTFT-UHFFFAOYSA-N 1 0 285.344 -1.558 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1n[nH]nc1C ZINC001484489955 892866335 /nfs/dbraw/zinc/86/63/35/892866335.db2.gz KEIRHYDONXUURQ-UHFFFAOYSA-N 1 0 295.343 -1.213 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CCn1ccnn1 ZINC001484482151 892866461 /nfs/dbraw/zinc/86/64/61/892866461.db2.gz KZISCDLNWQTJDI-UHFFFAOYSA-N 1 0 265.317 -1.288 20 30 CAEDRO C[C@H]([NH2+]CCN(CCO)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001484480744 892866690 /nfs/dbraw/zinc/86/66/90/892866690.db2.gz QSLDSBFCGBZZMT-VIFPVBQESA-N 1 0 293.327 -1.216 20 30 CAEDRO CC(C)C#CC(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001484481366 892867076 /nfs/dbraw/zinc/86/70/76/892867076.db2.gz MKZPSXVLHNFAJP-UHFFFAOYSA-N 1 0 255.318 -1.458 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001484485188 892867986 /nfs/dbraw/zinc/86/79/86/892867986.db2.gz ZXYHCBQQIGWYNB-LBPRGKRZSA-N 1 0 281.356 -1.054 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001484485095 892869729 /nfs/dbraw/zinc/86/97/29/892869729.db2.gz WSLIYPARBLQLAI-VIFPVBQESA-N 1 0 284.316 -1.819 20 30 CAEDRO C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001484493915 892872402 /nfs/dbraw/zinc/87/24/02/892872402.db2.gz YJSURQVRVZCHAT-SECBINFHSA-N 1 0 290.751 -1.169 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001484511169 892872739 /nfs/dbraw/zinc/87/27/39/892872739.db2.gz GPUCJTIQYLUYMH-JTQLQIEISA-N 1 0 295.343 -1.670 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001484536982 892874842 /nfs/dbraw/zinc/87/48/42/892874842.db2.gz VSRUXHVSJVHBBI-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001484551653 892876807 /nfs/dbraw/zinc/87/68/07/892876807.db2.gz NAXSHLVLHOUXFT-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001484667650 892880378 /nfs/dbraw/zinc/88/03/78/892880378.db2.gz FQUOMONUFOWESM-LBPRGKRZSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001484667649 892880665 /nfs/dbraw/zinc/88/06/65/892880665.db2.gz FQUOMONUFOWESM-GFCCVEGCSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)CNC(C)=O)CCC1 ZINC001484622484 892881233 /nfs/dbraw/zinc/88/12/33/892881233.db2.gz UGFAAQPXZRRILE-UHFFFAOYSA-N 1 0 294.355 -1.500 20 30 CAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CCO1 ZINC001484689293 892882522 /nfs/dbraw/zinc/88/25/22/892882522.db2.gz WCZIABDHCYAUJZ-LBPRGKRZSA-N 1 0 296.371 -1.579 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484671040 892883472 /nfs/dbraw/zinc/88/34/72/892883472.db2.gz KWLSIKOSGAMNRW-WDEREUQCSA-N 1 0 293.327 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001484692563 892883592 /nfs/dbraw/zinc/88/35/92/892883592.db2.gz JPNGYANDRAWEEC-SDDRHHMPSA-N 1 0 295.339 -1.531 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CCO1 ZINC001484689292 892884165 /nfs/dbraw/zinc/88/41/65/892884165.db2.gz WCZIABDHCYAUJZ-GFCCVEGCSA-N 1 0 296.371 -1.579 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001484684565 892884472 /nfs/dbraw/zinc/88/44/72/892884472.db2.gz FIFGGHCZRTUFNT-SNVBAGLBSA-N 1 0 276.296 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC001484692562 892885084 /nfs/dbraw/zinc/88/50/84/892885084.db2.gz JPNGYANDRAWEEC-GRYCIOLGSA-N 1 0 295.339 -1.531 20 30 CAEDRO CN(CCC[N@H+](C)CC(=O)NCC#N)C(=O)CC(N)=O ZINC001484736069 892887690 /nfs/dbraw/zinc/88/76/90/892887690.db2.gz HYLOTWFHPVRLGN-UHFFFAOYSA-N 1 0 283.332 -1.718 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484848824 892892364 /nfs/dbraw/zinc/89/23/64/892892364.db2.gz OECIOYGUZOSRTE-SUNKGSAMSA-N 1 0 279.340 -1.316 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001484848825 892892526 /nfs/dbraw/zinc/89/25/26/892892526.db2.gz OECIOYGUZOSRTE-UHIISALHSA-N 1 0 279.340 -1.316 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001484838172 892893233 /nfs/dbraw/zinc/89/32/33/892893233.db2.gz KGSMVDZZHSTOIW-GWCFXTLKSA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)CN2CCOCC2)C1 ZINC001484839207 892893500 /nfs/dbraw/zinc/89/35/00/892893500.db2.gz QNEPZBAGYBSOEB-OAHLLOKOSA-N 1 0 295.383 -1.105 20 30 CAEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001484847074 892893982 /nfs/dbraw/zinc/89/39/82/892893982.db2.gz MNICBLNETNAWAL-FZMZJTMJSA-N 1 0 294.355 -1.366 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001484852353 892895358 /nfs/dbraw/zinc/89/53/58/892895358.db2.gz ZYRPXBFFUHYENT-LBPRGKRZSA-N 1 0 263.301 -1.005 20 30 CAEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001484847075 892895741 /nfs/dbraw/zinc/89/57/41/892895741.db2.gz MNICBLNETNAWAL-RISCZKNCSA-N 1 0 294.355 -1.366 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001484887304 892897074 /nfs/dbraw/zinc/89/70/74/892897074.db2.gz KXDJWPMASKAZFQ-NWDGAFQWSA-N 1 0 292.343 -1.241 20 30 CAEDRO CCC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001484946349 892897494 /nfs/dbraw/zinc/89/74/94/892897494.db2.gz QNOANFPOSSXXSN-UHFFFAOYSA-N 1 0 282.344 -1.021 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001484952628 892897815 /nfs/dbraw/zinc/89/78/15/892897815.db2.gz IZIBKXGVSNRXJE-NSHDSACASA-N 1 0 297.355 -1.547 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001484895184 892897888 /nfs/dbraw/zinc/89/78/88/892897888.db2.gz OWEIVBRCSAQHKW-QWHCGFSZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001484895186 892898334 /nfs/dbraw/zinc/89/83/34/892898334.db2.gz OWEIVBRCSAQHKW-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001484890483 892898825 /nfs/dbraw/zinc/89/88/25/892898825.db2.gz VAXXEKXCRACUBD-MNOVXSKESA-N 1 0 287.385 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001484897999 892899379 /nfs/dbraw/zinc/89/93/79/892899379.db2.gz SXKBVEKQQMFTJF-DTWKUNHWSA-N 1 0 268.317 -1.790 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001484951191 892899828 /nfs/dbraw/zinc/89/98/28/892899828.db2.gz BELWENNDEYHYHY-UHFFFAOYSA-N 1 0 253.302 -1.562 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C ZINC001484890484 892899927 /nfs/dbraw/zinc/89/99/27/892899927.db2.gz VAXXEKXCRACUBD-QWRGUYRKSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)CNC(=O)OC)CC1 ZINC001485015176 892902147 /nfs/dbraw/zinc/90/21/47/892902147.db2.gz WVHNNGFOBAYQML-UHFFFAOYSA-N 1 0 283.328 -1.081 20 30 CAEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001484959931 892902508 /nfs/dbraw/zinc/90/25/08/892902508.db2.gz WGIXWCFIMARUBF-UHFFFAOYSA-N 1 0 253.302 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001484997774 892902973 /nfs/dbraw/zinc/90/29/73/892902973.db2.gz HJRWDCYVDAGSFV-JTQLQIEISA-N 1 0 294.355 -1.514 20 30 CAEDRO C=CC[NH2+]CC1CC(NC(=O)CNS(=O)(=O)NC)C1 ZINC001485097707 892904936 /nfs/dbraw/zinc/90/49/36/892904936.db2.gz MXYFVRJKARITOT-UHFFFAOYSA-N 1 0 290.389 -1.289 20 30 CAEDRO CCC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485130516 892906246 /nfs/dbraw/zinc/90/62/46/892906246.db2.gz RGUKVDKVNVBGBW-VHSXEESVSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CC[NH2+]CC1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001485093370 892906268 /nfs/dbraw/zinc/90/62/68/892906268.db2.gz GXJVKVZYIUPZFQ-RTBKNWGFSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001485180259 892908882 /nfs/dbraw/zinc/90/88/82/892908882.db2.gz CBEVHZLQHZMPPO-NWDGAFQWSA-N 1 0 280.372 -1.076 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC(N)=O ZINC001485134186 892909533 /nfs/dbraw/zinc/90/95/33/892909533.db2.gz ZGOSAWZLKRMQHL-NXEZZACHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485159566 892910519 /nfs/dbraw/zinc/91/05/19/892910519.db2.gz IERFETGHHRDJME-DTWKUNHWSA-N 1 0 297.359 -1.380 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001485159553 892910820 /nfs/dbraw/zinc/91/08/20/892910820.db2.gz IERFETGHHRDJME-BDAKNGLRSA-N 1 0 297.359 -1.380 20 30 CAEDRO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001485180258 892910904 /nfs/dbraw/zinc/91/09/04/892910904.db2.gz CBEVHZLQHZMPPO-NEPJUHHUSA-N 1 0 280.372 -1.076 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001485156655 892911130 /nfs/dbraw/zinc/91/11/30/892911130.db2.gz HVYVVDVPYOBNRN-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001485162006 892911269 /nfs/dbraw/zinc/91/12/69/892911269.db2.gz DOGWCZQOENQHGC-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001485197172 892912635 /nfs/dbraw/zinc/91/26/35/892912635.db2.gz VJKYENUILDBQAF-VHSXEESVSA-N 1 0 292.339 -1.186 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)c1cnon1 ZINC001485203262 892912676 /nfs/dbraw/zinc/91/26/76/892912676.db2.gz BTSVSXOJEXQKOU-SFYZADRCSA-N 1 0 280.288 -1.194 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001485198723 892912997 /nfs/dbraw/zinc/91/29/97/892912997.db2.gz KZGQCFXTSJHRAL-VHSXEESVSA-N 1 0 292.343 -1.339 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001485197173 892913378 /nfs/dbraw/zinc/91/33/78/892913378.db2.gz VJKYENUILDBQAF-ZJUUUORDSA-N 1 0 292.339 -1.186 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001485230321 892913465 /nfs/dbraw/zinc/91/34/65/892913465.db2.gz SKTCXHNGXVIRAQ-RKDXNWHRSA-N 1 0 278.316 -1.507 20 30 CAEDRO C[C@@H](NC(=O)c1cnon1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485203261 892913639 /nfs/dbraw/zinc/91/36/39/892913639.db2.gz BTSVSXOJEXQKOU-JGVFFNPUSA-N 1 0 280.288 -1.194 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001485198719 892914999 /nfs/dbraw/zinc/91/49/99/892914999.db2.gz KZGQCFXTSJHRAL-NXEZZACHSA-N 1 0 292.343 -1.339 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001485196280 892915267 /nfs/dbraw/zinc/91/52/67/892915267.db2.gz QULJNHVSFKULFQ-DTWKUNHWSA-N 1 0 294.311 -1.477 20 30 CAEDRO C[C@@H](NC(=O)c1cnon1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485203257 892915600 /nfs/dbraw/zinc/91/56/00/892915600.db2.gz BTSVSXOJEXQKOU-HTQZYQBOSA-N 1 0 280.288 -1.194 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001485335754 892920608 /nfs/dbraw/zinc/92/06/08/892920608.db2.gz DQVXXUXZVHRIJZ-NSHDSACASA-N 1 0 266.345 -1.512 20 30 CAEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001485390202 892922384 /nfs/dbraw/zinc/92/23/84/892922384.db2.gz XQEWUPHLBYCHAY-VIFPVBQESA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001485357712 892924267 /nfs/dbraw/zinc/92/42/67/892924267.db2.gz UFBOCJGFWGAROQ-JTQLQIEISA-N 1 0 292.339 -1.233 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001485980574 892968337 /nfs/dbraw/zinc/96/83/37/892968337.db2.gz WFIFUKGPLMOPSN-BDAKNGLRSA-N 1 0 292.361 -2.238 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646592 892938048 /nfs/dbraw/zinc/93/80/48/892938048.db2.gz ZNKCDCBYWZSQPZ-BDAKNGLRSA-N 1 0 297.315 -2.683 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646595 892939466 /nfs/dbraw/zinc/93/94/66/892939466.db2.gz ZNKCDCBYWZSQPZ-RKDXNWHRSA-N 1 0 297.315 -2.683 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)CNC(C)=O ZINC001485769666 892941809 /nfs/dbraw/zinc/94/18/09/892941809.db2.gz GYLZYPIBSPTEOB-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC(=O)NCC ZINC001485867171 892946345 /nfs/dbraw/zinc/94/63/45/892946345.db2.gz VZHJOQLWNADINW-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO CCC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485856043 892947477 /nfs/dbraw/zinc/94/74/77/892947477.db2.gz OPZVBJVTVBOGFU-SNVBAGLBSA-N 1 0 297.359 -1.411 20 30 CAEDRO COC(=O)NCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485852044 892947815 /nfs/dbraw/zinc/94/78/15/892947815.db2.gz RRKASCVMBYCYOZ-VIFPVBQESA-N 1 0 299.331 -1.581 20 30 CAEDRO COC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485852043 892947963 /nfs/dbraw/zinc/94/79/63/892947963.db2.gz RRKASCVMBYCYOZ-SECBINFHSA-N 1 0 299.331 -1.581 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001485778916 892948056 /nfs/dbraw/zinc/94/80/56/892948056.db2.gz QCGCITPNMKFNRX-NSHDSACASA-N 1 0 295.339 -1.263 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001485778915 892948232 /nfs/dbraw/zinc/94/82/32/892948232.db2.gz QCGCITPNMKFNRX-LLVKDONJSA-N 1 0 295.339 -1.263 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001485877020 892952236 /nfs/dbraw/zinc/95/22/36/892952236.db2.gz JRKGYRFKVMPQJG-VIFPVBQESA-N 1 0 278.316 -1.553 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cn[nH]n1 ZINC001485894056 892953106 /nfs/dbraw/zinc/95/31/06/892953106.db2.gz QEXPSEISUQTYTD-ZJUUUORDSA-N 1 0 292.343 -1.007 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C(N)=O)C1=O ZINC001485917803 892953162 /nfs/dbraw/zinc/95/31/62/892953162.db2.gz RIKPHTUICCSONC-VHSXEESVSA-N 1 0 282.344 -1.305 20 30 CAEDRO C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001485946847 892955068 /nfs/dbraw/zinc/95/50/68/892955068.db2.gz IYBJWQORTCNOCD-UWVGGRQHSA-N 1 0 295.343 -1.659 20 30 CAEDRO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485966661 892955441 /nfs/dbraw/zinc/95/54/41/892955441.db2.gz YVGVFJGFWCAOHW-MRVPVSSYSA-N 1 0 258.278 -2.661 20 30 CAEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001485954352 892955466 /nfs/dbraw/zinc/95/54/66/892955466.db2.gz OGALUMTYUSYTFC-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001485946848 892956098 /nfs/dbraw/zinc/95/60/98/892956098.db2.gz IYBJWQORTCNOCD-ZJUUUORDSA-N 1 0 295.343 -1.659 20 30 CAEDRO CC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974452 892958962 /nfs/dbraw/zinc/95/89/62/892958962.db2.gz DCAPRZIXHXVISY-UWVGGRQHSA-N 1 0 270.333 -1.261 20 30 CAEDRO CC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974454 892959579 /nfs/dbraw/zinc/95/95/79/892959579.db2.gz DCAPRZIXHXVISY-ZJUUUORDSA-N 1 0 270.333 -1.261 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001485973021 892960710 /nfs/dbraw/zinc/96/07/10/892960710.db2.gz QNVFULCONJCLNX-QWRGUYRKSA-N 1 0 283.328 -2.019 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCn1cncn1 ZINC001485975220 892963655 /nfs/dbraw/zinc/96/36/55/892963655.db2.gz OSDARDXAJNHJNM-NSHDSACASA-N 1 0 265.317 -1.242 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001485975350 892963727 /nfs/dbraw/zinc/96/37/27/892963727.db2.gz DBWWFNRNPWKFOR-MNOVXSKESA-N 1 0 299.327 -2.782 20 30 CAEDRO CS[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485976347 892963899 /nfs/dbraw/zinc/96/38/99/892963899.db2.gz KMXCIVYJBAXDCZ-BDAKNGLRSA-N 1 0 288.373 -1.556 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCn1cncn1 ZINC001485975219 892964098 /nfs/dbraw/zinc/96/40/98/892964098.db2.gz OSDARDXAJNHJNM-LLVKDONJSA-N 1 0 265.317 -1.242 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001485980575 892966719 /nfs/dbraw/zinc/96/67/19/892966719.db2.gz WFIFUKGPLMOPSN-DTWKUNHWSA-N 1 0 292.361 -2.238 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001485979405 892967388 /nfs/dbraw/zinc/96/73/88/892967388.db2.gz JCJDCYDOMFQEMQ-WDEREUQCSA-N 1 0 299.375 -1.080 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC001485981368 892967487 /nfs/dbraw/zinc/96/74/87/892967487.db2.gz BZLSYMWCAMCYHB-IUCAKERBSA-N 1 0 277.346 -1.743 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001485983366 892967812 /nfs/dbraw/zinc/96/78/12/892967812.db2.gz SZMDSUZUHXLEIM-MNOVXSKESA-N 1 0 298.343 -1.928 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001485980579 892968087 /nfs/dbraw/zinc/96/80/87/892968087.db2.gz WFIFUKGPLMOPSN-RKDXNWHRSA-N 1 0 292.361 -2.238 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001485979395 892968670 /nfs/dbraw/zinc/96/86/70/892968670.db2.gz JCJDCYDOMFQEMQ-GHMZBOCLSA-N 1 0 299.375 -1.080 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncoc1C ZINC001485980559 892968938 /nfs/dbraw/zinc/96/89/38/892968938.db2.gz RFPYDQHZTSZYCE-JTQLQIEISA-N 1 0 294.311 -1.587 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnc(C)[nH]1 ZINC001485979385 892969714 /nfs/dbraw/zinc/96/97/14/892969714.db2.gz JAAXKSNMGXXLAW-SNVBAGLBSA-N 1 0 293.327 -1.852 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001485979348 892969886 /nfs/dbraw/zinc/96/98/86/892969886.db2.gz IXDNMLBDGNDAPX-NXEZZACHSA-N 1 0 298.343 -2.366 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1nccnc1N ZINC001485982289 892970212 /nfs/dbraw/zinc/97/02/12/892970212.db2.gz KKOOUFKAYXYULN-MRVPVSSYSA-N 1 0 251.290 -1.075 20 30 CAEDRO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001485984295 892974017 /nfs/dbraw/zinc/97/40/17/892974017.db2.gz IXEBKHVUNRGDKF-JTQLQIEISA-N 1 0 293.327 -1.297 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C=C1CCC1 ZINC001485986706 892974470 /nfs/dbraw/zinc/97/44/70/892974470.db2.gz VSQVQLHXUJDCKO-LLVKDONJSA-N 1 0 280.328 -1.197 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001486000789 892975569 /nfs/dbraw/zinc/97/55/69/892975569.db2.gz BSPAVQFZJUWKSE-VXGBXAGGSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1 ZINC001485998294 892975625 /nfs/dbraw/zinc/97/56/25/892975625.db2.gz FVEJGDZGCDVUES-ZYHUDNBSSA-N 1 0 292.339 -1.167 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CO[C@H]1CCOC1 ZINC001485994500 892976246 /nfs/dbraw/zinc/97/62/46/892976246.db2.gz GAOBWMOQGGTRKG-QWRGUYRKSA-N 1 0 256.302 -1.508 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001486000785 892976617 /nfs/dbraw/zinc/97/66/17/892976617.db2.gz BSPAVQFZJUWKSE-NWDGAFQWSA-N 1 0 297.355 -1.771 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001485996539 892976783 /nfs/dbraw/zinc/97/67/83/892976783.db2.gz HGYQWXBNCLZRRV-SECBINFHSA-N 1 0 254.294 -1.684 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001486000787 892977334 /nfs/dbraw/zinc/97/73/34/892977334.db2.gz BSPAVQFZJUWKSE-RYUDHWBXSA-N 1 0 297.355 -1.771 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001485996917 892977352 /nfs/dbraw/zinc/97/73/52/892977352.db2.gz ZOZAIGKDJNEZRE-MWLCHTKSSA-N 1 0 267.329 -1.399 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001485996915 892977391 /nfs/dbraw/zinc/97/73/91/892977391.db2.gz ZOZAIGKDJNEZRE-GXSJLCMTSA-N 1 0 267.329 -1.399 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1C ZINC001485996051 892977883 /nfs/dbraw/zinc/97/78/83/892977883.db2.gz UHSQJVJIJNZELK-JTQLQIEISA-N 1 0 293.327 -1.852 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001485999302 892978561 /nfs/dbraw/zinc/97/85/61/892978561.db2.gz VFPXUSWJUNUIPR-VIFPVBQESA-N 1 0 276.300 -1.009 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001486003796 892980084 /nfs/dbraw/zinc/98/00/84/892980084.db2.gz BTMCQZYSXXARBM-BDAKNGLRSA-N 1 0 284.316 -1.773 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN(C)S(C)(=O)=O ZINC001486002158 892980465 /nfs/dbraw/zinc/98/04/65/892980465.db2.gz MGDKBMVLQPQLRY-JTQLQIEISA-N 1 0 293.389 -1.479 20 30 CAEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1=O ZINC001486004376 892980625 /nfs/dbraw/zinc/98/06/25/892980625.db2.gz MJQBKYOYGCOJNA-GFCCVEGCSA-N 1 0 299.371 -1.122 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001486011919 892981598 /nfs/dbraw/zinc/98/15/98/892981598.db2.gz YMJKCCWHHUCTQV-SNVBAGLBSA-N 1 0 283.332 -1.775 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001486011918 892982878 /nfs/dbraw/zinc/98/28/78/892982878.db2.gz YMJKCCWHHUCTQV-JTQLQIEISA-N 1 0 283.332 -1.775 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001486015382 892983015 /nfs/dbraw/zinc/98/30/15/892983015.db2.gz UYBGCXDQDGLSEK-SNVBAGLBSA-N 1 0 263.297 -1.301 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001486013942 892983411 /nfs/dbraw/zinc/98/34/11/892983411.db2.gz DQPIOXMRVJWIPG-STQMWFEESA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN1CCCCC1=O ZINC001486010392 892983840 /nfs/dbraw/zinc/98/38/40/892983840.db2.gz AYVQWBTWHNKFBJ-LLVKDONJSA-N 1 0 267.329 -1.301 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001486011985 892984147 /nfs/dbraw/zinc/98/41/47/892984147.db2.gz QMZFNJJQVNBEEU-RYUDHWBXSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001486022768 892987182 /nfs/dbraw/zinc/98/71/82/892987182.db2.gz JANJZKQTOYOVJO-ZJUUUORDSA-N 1 0 255.318 -1.412 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001486025791 892987398 /nfs/dbraw/zinc/98/73/98/892987398.db2.gz AQJKNGINNVIGMR-MEWQQHAOSA-N 1 0 297.355 -1.752 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]nc1C ZINC001486019995 892987929 /nfs/dbraw/zinc/98/79/29/892987929.db2.gz BWIAVGDGANIXSD-JTQLQIEISA-N 1 0 295.343 -1.299 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001486022766 892988375 /nfs/dbraw/zinc/98/83/75/892988375.db2.gz JANJZKQTOYOVJO-UWVGGRQHSA-N 1 0 255.318 -1.412 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001486030970 892989310 /nfs/dbraw/zinc/98/93/10/892989310.db2.gz XWFFFKAKSMWBDH-RKDXNWHRSA-N 1 0 256.306 -1.689 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001486030969 892989550 /nfs/dbraw/zinc/98/95/50/892989550.db2.gz XWFFFKAKSMWBDH-IUCAKERBSA-N 1 0 256.306 -1.689 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001486030968 892990558 /nfs/dbraw/zinc/99/05/58/892990558.db2.gz XWFFFKAKSMWBDH-DTWKUNHWSA-N 1 0 256.306 -1.689 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001486026500 892991527 /nfs/dbraw/zinc/99/15/27/892991527.db2.gz FUYHXLLEVLYSHQ-NEPJUHHUSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001486039437 892993445 /nfs/dbraw/zinc/99/34/45/892993445.db2.gz IZKLTYCMRSHPBG-NSHDSACASA-N 1 0 288.369 -1.489 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)c1 ZINC001486034075 892993758 /nfs/dbraw/zinc/99/37/58/892993758.db2.gz MJSPUFCYNQQBJH-NSHDSACASA-N 1 0 276.296 -1.772 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C(N)=O)C1=O ZINC001486031746 892994127 /nfs/dbraw/zinc/99/41/27/892994127.db2.gz VJAKROSHCUPAGM-DTWKUNHWSA-N 1 0 284.316 -2.675 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001486033374 892994794 /nfs/dbraw/zinc/99/47/94/892994794.db2.gz XSQUHWXYORQLPT-SECBINFHSA-N 1 0 266.301 -1.171 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001486033632 892994995 /nfs/dbraw/zinc/99/49/95/892994995.db2.gz ZTEWVUIAEXIBID-QMMMGPOBSA-N 1 0 297.290 -2.022 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001486040106 892995389 /nfs/dbraw/zinc/99/53/89/892995389.db2.gz REGCHTYIVZZOIN-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001486043006 892996964 /nfs/dbraw/zinc/99/69/64/892996964.db2.gz NUDZGXMCKXIGDQ-VIFPVBQESA-N 1 0 293.389 -1.433 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001486041690 892998456 /nfs/dbraw/zinc/99/84/56/892998456.db2.gz WRAQTDCLGHLSHH-ZJUUUORDSA-N 1 0 284.316 -2.934 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnc(OC)nc1 ZINC001486049413 892998779 /nfs/dbraw/zinc/99/87/79/892998779.db2.gz WMKRWIGLXBAIEH-SNVBAGLBSA-N 1 0 264.285 -1.201 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001486057805 893001177 /nfs/dbraw/zinc/00/11/77/893001177.db2.gz SGJXNMDKLSSWAX-JTQLQIEISA-N 1 0 290.323 -1.245 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001486056832 893001219 /nfs/dbraw/zinc/00/12/19/893001219.db2.gz DVBOZRQMCRMFKD-LLVKDONJSA-N 1 0 295.343 -2.020 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCO)nc1 ZINC001486055254 893001258 /nfs/dbraw/zinc/00/12/58/893001258.db2.gz JYPXIFHXYQOPST-LLVKDONJSA-N 1 0 263.297 -1.265 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)cn1 ZINC001486054714 893001890 /nfs/dbraw/zinc/00/18/90/893001890.db2.gz CJKIANXLPFIJRD-LBPRGKRZSA-N 1 0 290.323 -1.511 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001486055570 893005159 /nfs/dbraw/zinc/00/51/59/893005159.db2.gz NFBMQGKNNCJHAV-ZJUUUORDSA-N 1 0 253.302 -1.645 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001486066550 893008089 /nfs/dbraw/zinc/00/80/89/893008089.db2.gz QELHIFVPUKQMLH-WDEREUQCSA-N 1 0 290.385 -1.243 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001486062178 893008459 /nfs/dbraw/zinc/00/84/59/893008459.db2.gz DNVCFMXJEVUNCF-VHSXEESVSA-N 1 0 291.373 -1.679 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001486062896 893011373 /nfs/dbraw/zinc/01/13/73/893011373.db2.gz HQHWVEFNBLDAPN-ZJUUUORDSA-N 1 0 291.373 -1.679 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001486087141 893015367 /nfs/dbraw/zinc/01/53/67/893015367.db2.gz FPQBIPARAFNBTH-VHSXEESVSA-N 1 0 288.373 -1.748 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1C ZINC001486087140 893016573 /nfs/dbraw/zinc/01/65/73/893016573.db2.gz FPQBIPARAFNBTH-NXEZZACHSA-N 1 0 288.373 -1.748 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)F ZINC001486257281 893018538 /nfs/dbraw/zinc/01/85/38/893018538.db2.gz JGILKJWFMMRUBT-JTQLQIEISA-N 1 0 287.335 -1.107 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCO1 ZINC001486259091 893019416 /nfs/dbraw/zinc/01/94/16/893019416.db2.gz AXGLHRUBGGLVBE-GHMZBOCLSA-N 1 0 298.343 -1.786 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001486254970 893019844 /nfs/dbraw/zinc/01/98/44/893019844.db2.gz ACOZOVSRTBKAAM-CMPLNLGQSA-N 1 0 281.356 -1.057 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241785 893020194 /nfs/dbraw/zinc/02/01/94/893020194.db2.gz ZHHBMMWVGOOJDU-UWVGGRQHSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CC1 ZINC001486254971 893021283 /nfs/dbraw/zinc/02/12/83/893021283.db2.gz ACOZOVSRTBKAAM-JQWIXIFHSA-N 1 0 281.356 -1.057 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001486263303 893023806 /nfs/dbraw/zinc/02/38/06/893023806.db2.gz PPJVNEYBJFWJGY-VIFPVBQESA-N 1 0 264.347 -1.374 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn[nH]c1 ZINC001486264767 893025523 /nfs/dbraw/zinc/02/55/23/893025523.db2.gz HBJNYRZLWANNTI-SNVBAGLBSA-N 1 0 294.315 -1.928 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCO1 ZINC001486259093 893027631 /nfs/dbraw/zinc/02/76/31/893027631.db2.gz AXGLHRUBGGLVBE-QWRGUYRKSA-N 1 0 298.343 -1.786 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001486261495 893027661 /nfs/dbraw/zinc/02/76/61/893027661.db2.gz ITLWFATUXCEZLW-VXGBXAGGSA-N 1 0 270.329 -1.166 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486264808 893027987 /nfs/dbraw/zinc/02/79/87/893027987.db2.gz JGYVNNGDIYMFTM-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001486268301 893028999 /nfs/dbraw/zinc/02/89/99/893028999.db2.gz RVKRCWPIXFVTST-ONGXEEELSA-N 1 0 282.344 -1.166 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CCO)C(=O)c1c[nH]c(C#N)c1 ZINC001486270467 893029467 /nfs/dbraw/zinc/02/94/67/893029467.db2.gz DUWQTYBAAOBKSY-NSHDSACASA-N 1 0 266.301 -1.099 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)C#CC1CC1 ZINC001486274733 893029900 /nfs/dbraw/zinc/02/99/00/893029900.db2.gz QSJYOYXAZLGRKQ-SNVBAGLBSA-N 1 0 296.327 -1.996 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001486273960 893030764 /nfs/dbraw/zinc/03/07/64/893030764.db2.gz IHSYEIJIGISBSJ-JTQLQIEISA-N 1 0 266.301 -1.037 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001486272595 893033281 /nfs/dbraw/zinc/03/32/81/893033281.db2.gz ZXPHLIQCNIHQHB-SNVBAGLBSA-N 1 0 279.300 -1.606 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001486287923 893034294 /nfs/dbraw/zinc/03/42/94/893034294.db2.gz HOOIRAWTEPIIEG-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001486277471 893034531 /nfs/dbraw/zinc/03/45/31/893034531.db2.gz XBWZOHDCWXYIHY-VIFPVBQESA-N 1 0 288.739 -1.166 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001486287922 893034661 /nfs/dbraw/zinc/03/46/61/893034661.db2.gz HOOIRAWTEPIIEG-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1COCCN1CC ZINC001486285800 893035361 /nfs/dbraw/zinc/03/53/61/893035361.db2.gz RBCIXCUEAOVAIJ-QWHCGFSZSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCN1C(=O)CCC1=O ZINC001486287369 893036056 /nfs/dbraw/zinc/03/60/56/893036056.db2.gz VZLXONCAPJJBSY-LLVKDONJSA-N 1 0 295.339 -1.432 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001486277470 893036250 /nfs/dbraw/zinc/03/62/50/893036250.db2.gz XBWZOHDCWXYIHY-SECBINFHSA-N 1 0 288.739 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001486280086 893036691 /nfs/dbraw/zinc/03/66/91/893036691.db2.gz DEUBYAJDCZFKNV-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001486277324 893037059 /nfs/dbraw/zinc/03/70/59/893037059.db2.gz FRLLDXRZFWSSNO-SECBINFHSA-N 1 0 296.331 -2.028 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001486288051 893037330 /nfs/dbraw/zinc/03/73/30/893037330.db2.gz KQGLFQGWGUTNQW-LBPRGKRZSA-N 1 0 296.371 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001486280087 893038095 /nfs/dbraw/zinc/03/80/95/893038095.db2.gz DEUBYAJDCZFKNV-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001486287925 893038338 /nfs/dbraw/zinc/03/83/38/893038338.db2.gz HOOIRAWTEPIIEG-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001486298712 893038500 /nfs/dbraw/zinc/03/85/00/893038500.db2.gz WECJLRABDSXHCF-JTQLQIEISA-N 1 0 267.329 -1.316 20 30 CAEDRO C=CCOCC[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001486298133 893039837 /nfs/dbraw/zinc/03/98/37/893039837.db2.gz LCJWKNYLTHIVAM-VIFPVBQESA-N 1 0 259.306 -1.917 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001486298503 893040228 /nfs/dbraw/zinc/04/02/28/893040228.db2.gz QCQCYYUATQLYHY-RKDXNWHRSA-N 1 0 290.751 -1.171 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1nccnc1C(N)=O ZINC001486315109 893044485 /nfs/dbraw/zinc/04/44/85/893044485.db2.gz FSYRTRPXQKFNGM-SECBINFHSA-N 1 0 293.327 -1.216 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001486311351 893047884 /nfs/dbraw/zinc/04/78/84/893047884.db2.gz PCMFEPPLEIMTAS-ZWNOBZJWSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CCOCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001486328106 893050187 /nfs/dbraw/zinc/05/01/87/893050187.db2.gz GMOMEHUXJCCRSO-RYUDHWBXSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001486317332 893053735 /nfs/dbraw/zinc/05/37/35/893053735.db2.gz NQYPIMOPXPWZQU-NXEZZACHSA-N 1 0 289.357 -2.280 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001486348385 893056680 /nfs/dbraw/zinc/05/66/80/893056680.db2.gz ZQAOIXHINQEKLU-ZJUUUORDSA-N 1 0 268.317 -1.948 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001486345558 893057009 /nfs/dbraw/zinc/05/70/09/893057009.db2.gz SUDDBHFQBPBJFZ-NEPJUHHUSA-N 1 0 281.356 -1.009 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001486344424 893057139 /nfs/dbraw/zinc/05/71/39/893057139.db2.gz JMPYYQIJARWGOO-SNVBAGLBSA-N 1 0 280.332 -1.402 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001486347614 893058838 /nfs/dbraw/zinc/05/88/38/893058838.db2.gz QJURNOFQOZVJFO-QWRGUYRKSA-N 1 0 282.344 -1.558 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001486347110 893059320 /nfs/dbraw/zinc/05/93/20/893059320.db2.gz LHDWHRCPWXBRAY-JTQLQIEISA-N 1 0 271.317 -2.127 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(=O)COC ZINC001486336268 893059846 /nfs/dbraw/zinc/05/98/46/893059846.db2.gz GVTDTIMYZFRZNJ-GFCCVEGCSA-N 1 0 299.371 -1.525 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001486347612 893062650 /nfs/dbraw/zinc/06/26/50/893062650.db2.gz QJURNOFQOZVJFO-GHMZBOCLSA-N 1 0 282.344 -1.558 20 30 CAEDRO C=CCOCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001486346358 893063319 /nfs/dbraw/zinc/06/33/19/893063319.db2.gz CWWUYIZQQBMZSB-JTQLQIEISA-N 1 0 273.333 -1.575 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)CCOCC[NH2+]CC(=O)NC(N)=O ZINC001486493101 893072101 /nfs/dbraw/zinc/07/21/01/893072101.db2.gz MRUVNTBVGAAGPZ-VIFPVBQESA-N 1 0 299.331 -1.594 20 30 CAEDRO CN(C(=O)c1cnon1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001486479092 893075428 /nfs/dbraw/zinc/07/54/28/893075428.db2.gz ZXVUHHUBHZAUIE-UHFFFAOYSA-N 1 0 292.299 -1.098 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)CNC(C)=O)CC1 ZINC001487923660 893106805 /nfs/dbraw/zinc/10/68/05/893106805.db2.gz CLQQKRLBXXACOD-ZDUSSCGKSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC001488643485 893163962 /nfs/dbraw/zinc/16/39/62/893163962.db2.gz BBXBNUFGGCBHHZ-SNVBAGLBSA-N 1 0 290.389 -1.241 20 30 CAEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC001488643484 893164521 /nfs/dbraw/zinc/16/45/21/893164521.db2.gz BBXBNUFGGCBHHZ-JTQLQIEISA-N 1 0 290.389 -1.241 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001488761081 893167528 /nfs/dbraw/zinc/16/75/28/893167528.db2.gz QJAHFLQEVAJFNG-AOOOYVTPSA-N 1 0 290.389 -1.289 20 30 CAEDRO C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001489154325 893170088 /nfs/dbraw/zinc/17/00/88/893170088.db2.gz CFYSOYVISHESGV-LLVKDONJSA-N 1 0 267.329 -1.220 20 30 CAEDRO C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001489175315 893176081 /nfs/dbraw/zinc/17/60/81/893176081.db2.gz UFFSQHQPAUTSFM-GFCCVEGCSA-N 1 0 296.371 -1.037 20 30 CAEDRO C#CC[N@@H+](C)CCOCCN(C)C(=O)CC(N)=O ZINC001489213524 893176153 /nfs/dbraw/zinc/17/61/53/893176153.db2.gz VJZSUVYAFMLYCD-UHFFFAOYSA-N 1 0 255.318 -1.098 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)CC(N)=O ZINC001490193159 893191538 /nfs/dbraw/zinc/19/15/38/893191538.db2.gz MMFTXPHMUVBBBN-SNVBAGLBSA-N 1 0 255.318 -1.052 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)Cn1cncn1 ZINC001490275945 893195414 /nfs/dbraw/zinc/19/54/14/893195414.db2.gz LFHCFUCEYUJQQL-UHFFFAOYSA-N 1 0 292.343 -1.534 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCNC1=O ZINC001490234262 893196188 /nfs/dbraw/zinc/19/61/88/893196188.db2.gz VWMGDPHKBBYBLH-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001490475036 893198800 /nfs/dbraw/zinc/19/88/00/893198800.db2.gz NOUFQDLZSZSGDE-UHFFFAOYSA-N 1 0 252.318 -1.771 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001490473748 893198926 /nfs/dbraw/zinc/19/89/26/893198926.db2.gz UHKYNVLQIRSIKQ-LBPRGKRZSA-N 1 0 293.371 -1.575 20 30 CAEDRO C#CCNC(=O)C[N@H+](CC)CCCNC(=O)c1nnc[nH]1 ZINC001490353511 893200779 /nfs/dbraw/zinc/20/07/79/893200779.db2.gz SNHRKXMFUJMBKN-UHFFFAOYSA-N 1 0 292.343 -1.004 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001490473823 893201193 /nfs/dbraw/zinc/20/11/93/893201193.db2.gz VCOVKANUIMYEIU-ZDUSSCGKSA-N 1 0 292.383 -1.120 20 30 CAEDRO C=C(C)C[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001490501142 893205052 /nfs/dbraw/zinc/20/50/52/893205052.db2.gz NWEMWDDXYSCCJG-UHFFFAOYSA-N 1 0 254.334 -1.218 20 30 CAEDRO C#CCC[NH+]1CCN(CCNC(=O)C(N)=O)CC1 ZINC001490501665 893205796 /nfs/dbraw/zinc/20/57/96/893205796.db2.gz YSMNTHUNESJHNE-UHFFFAOYSA-N 1 0 252.318 -1.771 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647673 893210992 /nfs/dbraw/zinc/21/09/92/893210992.db2.gz FACAVSJHUIWDBB-JTQLQIEISA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647284 893215657 /nfs/dbraw/zinc/21/56/57/893215657.db2.gz ASOIYUINBGKWFR-KOLCDFICSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001490742020 893218405 /nfs/dbraw/zinc/21/84/05/893218405.db2.gz ZIBFXLDLRFOGCG-WDEREUQCSA-N 1 0 285.369 -1.204 20 30 CAEDRO N#CCSCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001490810971 893219802 /nfs/dbraw/zinc/21/98/02/893219802.db2.gz MPSHDPUCCXNXGZ-QMMMGPOBSA-N 1 0 256.331 -1.081 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001490878131 893221692 /nfs/dbraw/zinc/22/16/92/893221692.db2.gz DQCIAQJKWBLJTN-OPRDCNLKSA-N 1 0 293.327 -1.065 20 30 CAEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001490912485 893222424 /nfs/dbraw/zinc/22/24/24/893222424.db2.gz PUPKQWDLZSMDQV-MGCOHNPYSA-N 1 0 290.389 -1.147 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001490902538 893223196 /nfs/dbraw/zinc/22/31/96/893223196.db2.gz OIKARWZWVNZBND-MGCOHNPYSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001490821212 893223404 /nfs/dbraw/zinc/22/34/04/893223404.db2.gz PUPOTOOZHJPPMR-JTQLQIEISA-N 1 0 275.312 -1.037 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001490847724 893223544 /nfs/dbraw/zinc/22/35/44/893223544.db2.gz GLXHSWMYLNFRNM-UWVGGRQHSA-N 1 0 290.327 -1.253 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001490836565 893224544 /nfs/dbraw/zinc/22/45/44/893224544.db2.gz NEJPDCIDEQMMEK-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001490872438 893224626 /nfs/dbraw/zinc/22/46/26/893224626.db2.gz SULVHZFHJVYCQJ-GMTAPVOTSA-N 1 0 296.327 -1.722 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001490878129 893225148 /nfs/dbraw/zinc/22/51/48/893225148.db2.gz DQCIAQJKWBLJTN-GUBZILKMSA-N 1 0 293.327 -1.065 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001490934917 893226151 /nfs/dbraw/zinc/22/61/51/893226151.db2.gz ZCJDWPQEKZARSN-GUBZILKMSA-N 1 0 273.358 -1.206 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001490921254 893226421 /nfs/dbraw/zinc/22/64/21/893226421.db2.gz COKWCJBYCPEYME-GUBZILKMSA-N 1 0 250.302 -1.072 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001490916990 893226464 /nfs/dbraw/zinc/22/64/64/893226464.db2.gz MPWFJWJXURQLOR-SRVKXCTJSA-N 1 0 294.355 -1.103 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC001490954168 893228318 /nfs/dbraw/zinc/22/83/18/893228318.db2.gz QGCNLPCMRHJDOD-XYPYZODXSA-N 1 0 292.343 -1.183 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001490921971 893228433 /nfs/dbraw/zinc/22/84/33/893228433.db2.gz KUGLKVQODSJETB-MGCOHNPYSA-N 1 0 294.355 -1.209 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001490995290 893228455 /nfs/dbraw/zinc/22/84/55/893228455.db2.gz SULVHZFHJVYCQJ-OUAUKWLOSA-N 1 0 296.327 -1.722 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001491031162 893230124 /nfs/dbraw/zinc/23/01/24/893230124.db2.gz DPULRZKBUNNNAP-PHIMTYICSA-N 1 0 282.344 -1.339 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001491075469 893235250 /nfs/dbraw/zinc/23/52/50/893235250.db2.gz BEAQEZUICAKJKV-AOOOYVTPSA-N 1 0 297.359 -1.416 20 30 CAEDRO C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)C(N)=O ZINC001491223161 893251981 /nfs/dbraw/zinc/25/19/81/893251981.db2.gz CXGLZRFEWCUKCK-JTQLQIEISA-N 1 0 280.328 -1.808 20 30 CAEDRO C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)C(N)=O ZINC001491223162 893253498 /nfs/dbraw/zinc/25/34/98/893253498.db2.gz CXGLZRFEWCUKCK-SNVBAGLBSA-N 1 0 280.328 -1.808 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cnnn1 ZINC001491389407 893265844 /nfs/dbraw/zinc/26/58/44/893265844.db2.gz JSGXVKLXCRBNRD-VHSXEESVSA-N 1 0 293.331 -2.095 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)CNC(C)=O ZINC001491380752 893266123 /nfs/dbraw/zinc/26/61/23/893266123.db2.gz YNWNESRIHWSVNB-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001491387670 893266855 /nfs/dbraw/zinc/26/68/55/893266855.db2.gz MBJFKZOOKUSGKS-DTWKUNHWSA-N 1 0 283.332 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnsn1 ZINC001491401539 893267057 /nfs/dbraw/zinc/26/70/57/893267057.db2.gz IZXREKVAQQGSPE-MRVPVSSYSA-N 1 0 281.341 -1.005 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1cnnn1 ZINC001491389408 893268410 /nfs/dbraw/zinc/26/84/10/893268410.db2.gz JSGXVKLXCRBNRD-ZJUUUORDSA-N 1 0 293.331 -2.095 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cnnn1 ZINC001491389405 893268695 /nfs/dbraw/zinc/26/86/95/893268695.db2.gz JSGXVKLXCRBNRD-UWVGGRQHSA-N 1 0 293.331 -2.095 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001491387660 893268881 /nfs/dbraw/zinc/26/88/81/893268881.db2.gz MBJFKZOOKUSGKS-BDAKNGLRSA-N 1 0 283.332 -1.755 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001491387675 893268980 /nfs/dbraw/zinc/26/89/80/893268980.db2.gz MBJFKZOOKUSGKS-RKDXNWHRSA-N 1 0 283.332 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cn(C)cn1 ZINC001491431950 893272135 /nfs/dbraw/zinc/27/21/35/893272135.db2.gz OUMWAOGVHNTQQZ-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1nccnc1N ZINC001491418172 893272519 /nfs/dbraw/zinc/27/25/19/893272519.db2.gz IMRUHILSLPLRPY-VIFPVBQESA-N 1 0 290.327 -1.484 20 30 CAEDRO C[C@@H](CNC(=O)CCc1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001491424008 893273073 /nfs/dbraw/zinc/27/30/73/893273073.db2.gz MMJIXZLCIOQEKE-VIFPVBQESA-N 1 0 293.331 -1.529 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CNC(=O)NC ZINC001491473626 893275620 /nfs/dbraw/zinc/27/56/20/893275620.db2.gz LCWMXRBHRGFREI-SECBINFHSA-N 1 0 283.332 -2.241 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1nnc(C)[nH]1 ZINC001491451362 893276921 /nfs/dbraw/zinc/27/69/21/893276921.db2.gz GASSAJXIRQUANO-SECBINFHSA-N 1 0 292.343 -1.501 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001491463111 893277676 /nfs/dbraw/zinc/27/76/76/893277676.db2.gz MMYOLDDZYNQZOF-MRVPVSSYSA-N 1 0 266.305 -1.343 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001491468857 893278919 /nfs/dbraw/zinc/27/89/19/893278919.db2.gz AAJRZFWATJPZPU-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001491472285 893279292 /nfs/dbraw/zinc/27/92/92/893279292.db2.gz BAERNUXGYPNVSE-SNVBAGLBSA-N 1 0 280.328 -1.173 20 30 CAEDRO C[C@@H](CNC(=O)c1csnn1)[NH2+]CC(=O)NCC#N ZINC001491539122 893289273 /nfs/dbraw/zinc/28/92/73/893289273.db2.gz HTEMMNVLBHIJIZ-ZETCQYMHSA-N 1 0 282.329 -1.114 20 30 CAEDRO C[C@@H](CNC(=O)Cc1cnoc1)[NH2+]CC(=O)NCC#N ZINC001491556549 893289810 /nfs/dbraw/zinc/28/98/10/893289810.db2.gz AAXHPGFMIOHCEI-VIFPVBQESA-N 1 0 279.300 -1.049 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001491569553 893292433 /nfs/dbraw/zinc/29/24/33/893292433.db2.gz YMWBBAVWLDXKCM-VIFPVBQESA-N 1 0 282.344 -1.352 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001491569551 893295079 /nfs/dbraw/zinc/29/50/79/893295079.db2.gz YMWBBAVWLDXKCM-SECBINFHSA-N 1 0 282.344 -1.352 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001491564237 893295472 /nfs/dbraw/zinc/29/54/72/893295472.db2.gz KDLHJILTSHGWGV-VIFPVBQESA-N 1 0 293.327 -1.220 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1ccncn1 ZINC001491614138 893296677 /nfs/dbraw/zinc/29/66/77/893296677.db2.gz JYIBUFMHKJKVEE-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C[C@H](CNC(=O)c1cccnn1)[NH2+]CC(=O)NCC#N ZINC001491619087 893297207 /nfs/dbraw/zinc/29/72/07/893297207.db2.gz VNTRCNSWUDSORS-SECBINFHSA-N 1 0 276.300 -1.176 20 30 CAEDRO C[C@@H](CNC(=O)c1cccnn1)[NH2+]CC(=O)NCC#N ZINC001491619088 893297501 /nfs/dbraw/zinc/29/75/01/893297501.db2.gz VNTRCNSWUDSORS-VIFPVBQESA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CCC[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001491591491 893297901 /nfs/dbraw/zinc/29/79/01/893297901.db2.gz DGIQVLSWIDJFQW-SNVBAGLBSA-N 1 0 290.389 -1.500 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001491593499 893298072 /nfs/dbraw/zinc/29/80/72/893298072.db2.gz VXJAYWAPNFIYIX-YUMQZZPRSA-N 1 0 254.290 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccncn1 ZINC001491614135 893298223 /nfs/dbraw/zinc/29/82/23/893298223.db2.gz JYIBUFMHKJKVEE-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001491588999 893298831 /nfs/dbraw/zinc/29/88/31/893298831.db2.gz FBPREMBXVZQYQO-BDAKNGLRSA-N 1 0 261.347 -1.348 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)CCNC(N)=O ZINC001491664524 893302923 /nfs/dbraw/zinc/30/29/23/893302923.db2.gz KQKGHWLSWNMYHL-JTQLQIEISA-N 1 0 270.333 -1.211 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001491701014 893305910 /nfs/dbraw/zinc/30/59/10/893305910.db2.gz JNPZVXRNZXQVMU-NSHDSACASA-N 1 0 294.355 -1.561 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001491725955 893305997 /nfs/dbraw/zinc/30/59/97/893305997.db2.gz DXNZPSXFMKQWOF-MJVIPROJSA-N 1 0 292.339 -1.147 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491718602 893306228 /nfs/dbraw/zinc/30/62/28/893306228.db2.gz OYIWVQUPMDPRJR-UWVGGRQHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001491709269 893308472 /nfs/dbraw/zinc/30/84/72/893308472.db2.gz YLYUOFASKWZCGH-NSHDSACASA-N 1 0 280.328 -1.938 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001491676065 893309600 /nfs/dbraw/zinc/30/96/00/893309600.db2.gz VIMUEFPIWJQMGE-BDAKNGLRSA-N 1 0 259.331 -1.594 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491790118 893311476 /nfs/dbraw/zinc/31/14/76/893311476.db2.gz AMWYDMKVEZPYLN-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)Cn1cnnn1 ZINC001491980251 893318377 /nfs/dbraw/zinc/31/83/77/893318377.db2.gz WSKYCXFGNWTGDR-NSHDSACASA-N 1 0 280.332 -1.193 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CNS(=O)(=O)NC ZINC001492062940 893324025 /nfs/dbraw/zinc/32/40/25/893324025.db2.gz SRTBGIOYKGSSGB-SECBINFHSA-N 1 0 276.362 -1.842 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CS(=O)(=O)NC ZINC001492126330 893325598 /nfs/dbraw/zinc/32/55/98/893325598.db2.gz BBWYJUKNKSMYIG-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO C=CCOCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001492435413 893354387 /nfs/dbraw/zinc/35/43/87/893354387.db2.gz QMIYUHYAXANWKE-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001492440811 893355777 /nfs/dbraw/zinc/35/57/77/893355777.db2.gz CUPUPLOXEPJGHI-UHFFFAOYSA-N 1 0 294.311 -1.522 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001492444604 893357298 /nfs/dbraw/zinc/35/72/98/893357298.db2.gz YHXQEETYLBXRGW-JTQLQIEISA-N 1 0 268.317 -1.952 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001492879708 893362241 /nfs/dbraw/zinc/36/22/41/893362241.db2.gz VKIHYDGXQWEXSL-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H]1CCCN1CC(=O)NC(N)=O ZINC001493087535 893373991 /nfs/dbraw/zinc/37/39/91/893373991.db2.gz QRGJSYXGAHUXSY-BDAKNGLRSA-N 1 0 281.316 -1.078 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H]1CCCN1CC(=O)NC(N)=O ZINC001493087536 893377512 /nfs/dbraw/zinc/37/75/12/893377512.db2.gz QRGJSYXGAHUXSY-DTWKUNHWSA-N 1 0 281.316 -1.078 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001493189253 893382347 /nfs/dbraw/zinc/38/23/47/893382347.db2.gz IRHWQVSVPRIVPP-JTQLQIEISA-N 1 0 280.328 -1.951 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493229786 893382671 /nfs/dbraw/zinc/38/26/71/893382671.db2.gz JMOFDPAZTBQPIP-ZJUUUORDSA-N 1 0 282.344 -1.400 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493229782 893386129 /nfs/dbraw/zinc/38/61/29/893386129.db2.gz JMOFDPAZTBQPIP-UWVGGRQHSA-N 1 0 282.344 -1.400 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)COC ZINC001493452540 893393558 /nfs/dbraw/zinc/39/35/58/893393558.db2.gz GQUZIQVKDCUEBQ-SNVBAGLBSA-N 1 0 255.318 -1.181 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)COC ZINC001493452531 893396586 /nfs/dbraw/zinc/39/65/86/893396586.db2.gz GQUZIQVKDCUEBQ-JTQLQIEISA-N 1 0 255.318 -1.181 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001493451183 893396857 /nfs/dbraw/zinc/39/68/57/893396857.db2.gz YQUKQUPZSCOOED-LLVKDONJSA-N 1 0 285.369 -1.108 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001493500169 893400269 /nfs/dbraw/zinc/40/02/69/893400269.db2.gz MOXZPXDSFHJJGL-BDAKNGLRSA-N 1 0 266.301 -1.001 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1cccn1 ZINC001493473821 893401991 /nfs/dbraw/zinc/40/19/91/893401991.db2.gz ASTAWVSGHMVGHO-UHFFFAOYSA-N 1 0 277.328 -1.320 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC(C)(C)O ZINC001493532788 893404818 /nfs/dbraw/zinc/40/48/18/893404818.db2.gz GHUVDUHKLOLYRT-UHFFFAOYSA-N 1 0 270.333 -1.165 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493546472 893405045 /nfs/dbraw/zinc/40/50/45/893405045.db2.gz YOPWADCUKIKMCO-RKDXNWHRSA-N 1 0 283.288 -1.661 20 30 CAEDRO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C#CC1CC1 ZINC001493545841 893405695 /nfs/dbraw/zinc/40/56/95/893405695.db2.gz QQSOWWJYNMRHHE-UHFFFAOYSA-N 1 0 292.339 -1.000 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001493525116 893405939 /nfs/dbraw/zinc/40/59/39/893405939.db2.gz WFJMEHPKLSWUMB-JTQLQIEISA-N 1 0 270.333 -1.259 20 30 CAEDRO C=CC[NH2+]CCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001493601619 893406944 /nfs/dbraw/zinc/40/69/44/893406944.db2.gz VSDNERFKYBWDET-UHFFFAOYSA-N 1 0 270.333 -1.527 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1n[nH]nc1C ZINC001493653304 893407859 /nfs/dbraw/zinc/40/78/59/893407859.db2.gz MIKHGSFCBXPRJN-SNVBAGLBSA-N 1 0 292.343 -1.087 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001493655118 893408991 /nfs/dbraw/zinc/40/89/91/893408991.db2.gz UKBUEDJJZJDEMB-NSHDSACASA-N 1 0 282.344 -1.292 20 30 CAEDRO C=CC[NH2+]CCN(C)C(=O)CNS(=O)(=O)NC ZINC001493642219 893409206 /nfs/dbraw/zinc/40/92/06/893409206.db2.gz QPVLCCJCNYISJS-UHFFFAOYSA-N 1 0 264.351 -1.726 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1nnn(C)n1 ZINC001493659382 893411144 /nfs/dbraw/zinc/41/11/44/893411144.db2.gz ZYFDIXCCNIBMON-UHFFFAOYSA-N 1 0 281.320 -1.826 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001493727746 893414508 /nfs/dbraw/zinc/41/45/08/893414508.db2.gz LIUPDUBWGVCNNQ-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001493727747 893414611 /nfs/dbraw/zinc/41/46/11/893414611.db2.gz LIUPDUBWGVCNNQ-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001493732142 893414663 /nfs/dbraw/zinc/41/46/63/893414663.db2.gz LFYDRJSGKIVEDW-UHFFFAOYSA-N 1 0 295.339 -1.263 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001493718349 893414804 /nfs/dbraw/zinc/41/48/04/893414804.db2.gz SXZQZUBRKHAUPA-UHFFFAOYSA-N 1 0 294.311 -1.522 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001493770283 893414876 /nfs/dbraw/zinc/41/48/76/893414876.db2.gz SQMRHYNISNWHDK-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001494158223 893425731 /nfs/dbraw/zinc/42/57/31/893425731.db2.gz XTRHUNKAVQQZEY-WDEREUQCSA-N 1 0 294.355 -1.610 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001494158220 893426685 /nfs/dbraw/zinc/42/66/85/893426685.db2.gz XTRHUNKAVQQZEY-GHMZBOCLSA-N 1 0 294.355 -1.610 20 30 CAEDRO C[NH+](C)CCCC(=O)NC1CN(CC(=O)NCC#N)C1 ZINC001494446163 893439574 /nfs/dbraw/zinc/43/95/74/893439574.db2.gz NRUREFKKGKUSBJ-UHFFFAOYSA-N 1 0 281.360 -1.232 20 30 CAEDRO C=C(C)C[NH+]1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001494568026 893445525 /nfs/dbraw/zinc/44/55/25/893445525.db2.gz PRZOCPQNSFAXGI-UHFFFAOYSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001494558057 893447012 /nfs/dbraw/zinc/44/70/12/893447012.db2.gz WGWSEEDQPBYEKR-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001494778670 893462924 /nfs/dbraw/zinc/46/29/24/893462924.db2.gz JAEAVRQIBDNXAR-MNOVXSKESA-N 1 0 280.328 -1.810 20 30 CAEDRO CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001494950555 893465297 /nfs/dbraw/zinc/46/52/97/893465297.db2.gz SHNPCECGEPBEDF-NXEZZACHSA-N 1 0 295.343 -1.611 20 30 CAEDRO CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001494950558 893465704 /nfs/dbraw/zinc/46/57/04/893465704.db2.gz SHNPCECGEPBEDF-VHSXEESVSA-N 1 0 295.343 -1.611 20 30 CAEDRO C#CC[NH2+][C@H](CC)CNC(=O)CNC(=O)CNC(C)=O ZINC001495010942 893469017 /nfs/dbraw/zinc/46/90/17/893469017.db2.gz DUQGMNGABWGDTB-LLVKDONJSA-N 1 0 282.344 -1.644 20 30 CAEDRO CC[C@@H](CNC(=O)Cn1ncnn1)[NH2+]CC#CCOC ZINC001494981804 893469968 /nfs/dbraw/zinc/46/99/68/893469968.db2.gz TWHYNZBTZILKPC-NSHDSACASA-N 1 0 280.332 -1.193 20 30 CAEDRO CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]CC(=O)NCC#N ZINC001495060781 893473340 /nfs/dbraw/zinc/47/33/40/893473340.db2.gz RDPAIZQBQMHNTL-AEJSXWLSSA-N 1 0 295.343 -1.768 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001495575688 893481672 /nfs/dbraw/zinc/48/16/72/893481672.db2.gz BWMJKGQRHVIVJQ-NXEZZACHSA-N 1 0 282.344 -1.257 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001495664087 893482498 /nfs/dbraw/zinc/48/24/98/893482498.db2.gz GROOMFIBQSLFNA-LLVKDONJSA-N 1 0 280.332 -1.335 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001495717314 893485475 /nfs/dbraw/zinc/48/54/75/893485475.db2.gz MMOODCMVGBVEAH-NXEZZACHSA-N 1 0 252.318 -1.015 20 30 CAEDRO C[C@H](CNC(=O)Cc1c[nH]cn1)C[NH2+]CC(=O)NCC#N ZINC001495749112 893488134 /nfs/dbraw/zinc/48/81/34/893488134.db2.gz UNRLRHPFKHAWGJ-JTQLQIEISA-N 1 0 292.343 -1.066 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001495813542 893492991 /nfs/dbraw/zinc/49/29/91/893492991.db2.gz NBDNROONFLINMJ-SNVBAGLBSA-N 1 0 292.343 -1.258 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CCS(=O)(=O)NC ZINC001496053854 893504546 /nfs/dbraw/zinc/50/45/46/893504546.db2.gz CQTIAVGJTLGDRL-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1ccnc1 ZINC001496241562 893510739 /nfs/dbraw/zinc/51/07/39/893510739.db2.gz BWWZXWUITUIVAC-NSHDSACASA-N 1 0 292.343 -1.041 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001496171435 893512356 /nfs/dbraw/zinc/51/23/56/893512356.db2.gz RBVDLPCGJBCSGV-ZJUUUORDSA-N 1 0 275.374 -1.006 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1ccnc1 ZINC001496241543 893514966 /nfs/dbraw/zinc/51/49/66/893514966.db2.gz BWWZXWUITUIVAC-LLVKDONJSA-N 1 0 292.343 -1.041 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001496367895 893517992 /nfs/dbraw/zinc/51/79/92/893517992.db2.gz FKFVHQTVRVMAME-WDEREUQCSA-N 1 0 287.385 -1.005 20 30 CAEDRO CC#CC[N@H+](C)CCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001496730523 893532051 /nfs/dbraw/zinc/53/20/51/893532051.db2.gz VEYKDGZGOFWYQP-UHFFFAOYSA-N 1 0 296.371 -1.348 20 30 CAEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001496730541 893532385 /nfs/dbraw/zinc/53/23/85/893532385.db2.gz VWFIRQYPYNKFAW-UHFFFAOYSA-N 1 0 296.371 -1.348 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCn1cncn1 ZINC001496938613 893546839 /nfs/dbraw/zinc/54/68/39/893546839.db2.gz CEGOUEVOGBMBEM-LLVKDONJSA-N 1 0 265.317 -1.242 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C)on1 ZINC001496939136 893547983 /nfs/dbraw/zinc/54/79/83/893547983.db2.gz OHDSCUICXUVMJD-JTQLQIEISA-N 1 0 294.311 -1.587 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001496948939 893551674 /nfs/dbraw/zinc/55/16/74/893551674.db2.gz GVGBHUYRSKEACT-CYBMUJFWSA-N 1 0 294.355 -1.321 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001496944625 893552907 /nfs/dbraw/zinc/55/29/07/893552907.db2.gz QLXKRNBGGUVTTJ-SNVBAGLBSA-N 1 0 293.327 -1.852 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001496944799 893553868 /nfs/dbraw/zinc/55/38/68/893553868.db2.gz LFGXXZOLFUQVMN-UWVGGRQHSA-N 1 0 295.343 -1.219 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001496944624 893554064 /nfs/dbraw/zinc/55/40/64/893554064.db2.gz QLXKRNBGGUVTTJ-JTQLQIEISA-N 1 0 293.327 -1.852 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001496949186 893554249 /nfs/dbraw/zinc/55/42/49/893554249.db2.gz BFQYIGIVRANWRO-NSHDSACASA-N 1 0 250.302 -1.109 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CN(C)S(C)(=O)=O ZINC001496992254 893576907 /nfs/dbraw/zinc/57/69/07/893576907.db2.gz PERVIHJGWGFWTI-SECBINFHSA-N 1 0 279.362 -1.870 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)COC ZINC001496951409 893555507 /nfs/dbraw/zinc/55/55/07/893555507.db2.gz VOCQWSNYWFKYAF-VXGBXAGGSA-N 1 0 272.345 -1.015 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001497119647 893608694 /nfs/dbraw/zinc/60/86/94/893608694.db2.gz VWXABCLCBIDXRQ-UWVGGRQHSA-N 1 0 276.358 -1.184 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001496966743 893560897 /nfs/dbraw/zinc/56/08/97/893560897.db2.gz WDTWNGVQEMCMRR-GFCCVEGCSA-N 1 0 269.345 -1.591 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001496966744 893562612 /nfs/dbraw/zinc/56/26/12/893562612.db2.gz WDTWNGVQEMCMRR-LBPRGKRZSA-N 1 0 269.345 -1.591 20 30 CAEDRO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001496964007 893562805 /nfs/dbraw/zinc/56/28/05/893562805.db2.gz FTLOVHAEQFZHET-KCJUWKMLSA-N 1 0 266.301 -1.053 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001496961717 893563919 /nfs/dbraw/zinc/56/39/19/893563919.db2.gz QOAJWBSQOAVZHX-NWDGAFQWSA-N 1 0 269.345 -1.593 20 30 CAEDRO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001496964003 893564679 /nfs/dbraw/zinc/56/46/79/893564679.db2.gz FTLOVHAEQFZHET-GZMMTYOYSA-N 1 0 266.301 -1.053 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001496971359 893566414 /nfs/dbraw/zinc/56/64/14/893566414.db2.gz PZBDMRYRULLTSL-LLVKDONJSA-N 1 0 265.317 -1.242 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001496979317 893567770 /nfs/dbraw/zinc/56/77/70/893567770.db2.gz GPQYQTOOSQJXHO-NSHDSACASA-N 1 0 295.343 -1.628 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)NC(N)=O ZINC001496985007 893570826 /nfs/dbraw/zinc/57/08/26/893570826.db2.gz SCFAAXLBTUUWQU-ZJUUUORDSA-N 1 0 270.333 -1.477 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C ZINC001496980895 893570858 /nfs/dbraw/zinc/57/08/58/893570858.db2.gz QKUINTUYQLKGOZ-GFCCVEGCSA-N 1 0 293.367 -1.148 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)NC(N)=O ZINC001496985005 893571224 /nfs/dbraw/zinc/57/12/24/893571224.db2.gz SCFAAXLBTUUWQU-UWVGGRQHSA-N 1 0 270.333 -1.477 20 30 CAEDRO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496990197 893572897 /nfs/dbraw/zinc/57/28/97/893572897.db2.gz GXDABBZDBBFKQQ-SNVBAGLBSA-N 1 0 286.332 -2.368 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001496979885 893573387 /nfs/dbraw/zinc/57/33/87/893573387.db2.gz KUKOIHSFOKJWDW-UWVGGRQHSA-N 1 0 295.343 -1.219 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001496980060 893574299 /nfs/dbraw/zinc/57/42/99/893574299.db2.gz LSLLUHPOXVSSPV-JTQLQIEISA-N 1 0 265.317 -1.254 20 30 CAEDRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C)C(N)=O ZINC001496980128 893574383 /nfs/dbraw/zinc/57/43/83/893574383.db2.gz MHYDHSIYCKEUFN-UWVGGRQHSA-N 1 0 269.345 -1.024 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)N1CCCC1 ZINC001496980092 893574821 /nfs/dbraw/zinc/57/48/21/893574821.db2.gz CKFZGHVBNOWPEP-LBPRGKRZSA-N 1 0 296.371 -1.118 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001497004941 893575412 /nfs/dbraw/zinc/57/54/12/893575412.db2.gz KZOHRPBUCOMVJT-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001497001515 893575557 /nfs/dbraw/zinc/57/55/57/893575557.db2.gz IILSADSZQVMBBG-BXUZGUMPSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1CC#C ZINC001496996463 893575775 /nfs/dbraw/zinc/57/57/75/893575775.db2.gz AFYCWJWLRMHSOA-STQMWFEESA-N 1 0 263.341 -1.216 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001496996310 893575901 /nfs/dbraw/zinc/57/59/01/893575901.db2.gz ODYCJQGSFXXHKA-NEPJUHHUSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001497001521 893576164 /nfs/dbraw/zinc/57/61/64/893576164.db2.gz IILSADSZQVMBBG-SMDDNHRTSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1CC#C ZINC001496996459 893576274 /nfs/dbraw/zinc/57/62/74/893576274.db2.gz AFYCWJWLRMHSOA-OLZOCXBDSA-N 1 0 263.341 -1.216 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001496996318 893576391 /nfs/dbraw/zinc/57/63/91/893576391.db2.gz ODYCJQGSFXXHKA-VXGBXAGGSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001496995553 893576921 /nfs/dbraw/zinc/57/69/21/893576921.db2.gz XWDWTQZVKPELQH-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001496995555 893577268 /nfs/dbraw/zinc/57/72/68/893577268.db2.gz XWDWTQZVKPELQH-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001497004950 893577623 /nfs/dbraw/zinc/57/76/23/893577623.db2.gz KZOHRPBUCOMVJT-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001496991819 893578187 /nfs/dbraw/zinc/57/81/87/893578187.db2.gz OKXSUGNEUWEMTB-JTQLQIEISA-N 1 0 294.311 -2.753 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001497006598 893579849 /nfs/dbraw/zinc/57/98/49/893579849.db2.gz SRVMZXJSIGTLPV-IUCAKERBSA-N 1 0 296.331 -1.824 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001497008925 893579978 /nfs/dbraw/zinc/57/99/78/893579978.db2.gz DDAZRFJNWHWOQP-JTQLQIEISA-N 1 0 281.316 -2.328 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001497011949 893580660 /nfs/dbraw/zinc/58/06/60/893580660.db2.gz PGUQDNASLNKYCP-NSHDSACASA-N 1 0 263.297 -1.301 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001497013222 893580746 /nfs/dbraw/zinc/58/07/46/893580746.db2.gz WUNFJDSICGGUJL-NSHDSACASA-N 1 0 282.344 -2.540 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001497020261 893581370 /nfs/dbraw/zinc/58/13/70/893581370.db2.gz LVKBAROFFRFHMI-JTQLQIEISA-N 1 0 296.302 -1.417 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001497006597 893581731 /nfs/dbraw/zinc/58/17/31/893581731.db2.gz SRVMZXJSIGTLPV-DTWKUNHWSA-N 1 0 296.331 -1.824 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001497008926 893581789 /nfs/dbraw/zinc/58/17/89/893581789.db2.gz DDAZRFJNWHWOQP-SNVBAGLBSA-N 1 0 281.316 -2.328 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001497032241 893585020 /nfs/dbraw/zinc/58/50/20/893585020.db2.gz HIACSFDDYGROGG-NSHDSACASA-N 1 0 282.344 -2.492 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001497025987 893585282 /nfs/dbraw/zinc/58/52/82/893585282.db2.gz XDYPUYQKMJWNCL-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001497032981 893585634 /nfs/dbraw/zinc/58/56/34/893585634.db2.gz NQYUDINNLRHPJK-SNVBAGLBSA-N 1 0 268.317 -2.882 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCn1ccnc1 ZINC001497029127 893585658 /nfs/dbraw/zinc/58/56/58/893585658.db2.gz LHOYXYUWPFHNQI-NSHDSACASA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001497025989 893585718 /nfs/dbraw/zinc/58/57/18/893585718.db2.gz XDYPUYQKMJWNCL-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001497025910 893585732 /nfs/dbraw/zinc/58/57/32/893585732.db2.gz VNFKEUVBIWHNCR-LLVKDONJSA-N 1 0 295.343 -1.938 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001497032980 893586181 /nfs/dbraw/zinc/58/61/81/893586181.db2.gz NQYUDINNLRHPJK-JTQLQIEISA-N 1 0 268.317 -2.882 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001497039120 893588858 /nfs/dbraw/zinc/58/88/58/893588858.db2.gz VSUDHFYZBJYMCW-UXCLJVHYSA-N 1 0 296.327 -2.415 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001497037493 893589012 /nfs/dbraw/zinc/58/90/12/893589012.db2.gz LWXROWNANRLFMM-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001497035310 893589105 /nfs/dbraw/zinc/58/91/05/893589105.db2.gz UWOXTLADKNGHNT-IUCAKERBSA-N 1 0 256.306 -1.737 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001497039945 893589316 /nfs/dbraw/zinc/58/93/16/893589316.db2.gz JXYXZPDJRFHJDF-VHSXEESVSA-N 1 0 253.302 -1.693 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001497037496 893589416 /nfs/dbraw/zinc/58/94/16/893589416.db2.gz LWXROWNANRLFMM-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001497037494 893589581 /nfs/dbraw/zinc/58/95/81/893589581.db2.gz LWXROWNANRLFMM-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001497047137 893590941 /nfs/dbraw/zinc/59/09/41/893590941.db2.gz RNRPVAZNCMUHJE-GWCFXTLKSA-N 1 0 267.329 -1.255 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001497039496 893591172 /nfs/dbraw/zinc/59/11/72/893591172.db2.gz HNSDAGFUWTXBST-YPMHNXCESA-N 1 0 288.319 -1.169 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001497051647 893592238 /nfs/dbraw/zinc/59/22/38/893592238.db2.gz SMBMQIIBFCNMCF-SECBINFHSA-N 1 0 288.311 -1.323 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001497063664 893593125 /nfs/dbraw/zinc/59/31/25/893593125.db2.gz NSPSDUKPOSWXTN-VHSXEESVSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001497051649 893593690 /nfs/dbraw/zinc/59/36/90/893593690.db2.gz SMBMQIIBFCNMCF-VIFPVBQESA-N 1 0 288.311 -1.323 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001497058832 893594226 /nfs/dbraw/zinc/59/42/26/893594226.db2.gz RYWDSNURHNGNTI-QMMMGPOBSA-N 1 0 266.301 -1.020 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001497063662 893594363 /nfs/dbraw/zinc/59/43/63/893594363.db2.gz NSPSDUKPOSWXTN-NXEZZACHSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001497053000 893594743 /nfs/dbraw/zinc/59/47/43/893594743.db2.gz GHUJMJDELPFWMJ-LBPRGKRZSA-N 1 0 293.367 -1.007 20 30 CAEDRO N#Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C(N)=O)ccc1F ZINC001497049072 893595121 /nfs/dbraw/zinc/59/51/21/893595121.db2.gz RCEUPGBPJJAGGT-JTQLQIEISA-N 1 0 294.286 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(CC=C)nn1 ZINC001497067771 893598929 /nfs/dbraw/zinc/59/89/29/893598929.db2.gz JNFUGEQPCUXIJT-JTQLQIEISA-N 1 0 263.301 -1.222 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CCO)nn1 ZINC001497067854 893598948 /nfs/dbraw/zinc/59/89/48/893598948.db2.gz KHYYAINZGMGQFJ-VIFPVBQESA-N 1 0 269.305 -1.863 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001497090461 893601226 /nfs/dbraw/zinc/60/12/26/893601226.db2.gz HFECEASWKZUGMQ-WDEREUQCSA-N 1 0 282.344 -1.381 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCn1cnccc1=O ZINC001497081206 893601623 /nfs/dbraw/zinc/60/16/23/893601623.db2.gz LHIJCGKTQANQKV-NSHDSACASA-N 1 0 280.328 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001497078619 893601662 /nfs/dbraw/zinc/60/16/62/893601662.db2.gz YQJXKYMQLFZYGO-QMMMGPOBSA-N 1 0 280.288 -2.766 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497091666 893601951 /nfs/dbraw/zinc/60/19/51/893601951.db2.gz SLUQCEMWYKKICN-JTQLQIEISA-N 1 0 281.316 -1.936 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001497083455 893602001 /nfs/dbraw/zinc/60/20/01/893602001.db2.gz REEGYDIDXMBKCK-JTQLQIEISA-N 1 0 296.327 -1.982 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497090342 893602153 /nfs/dbraw/zinc/60/21/53/893602153.db2.gz FBZAGLWLRKXCGX-SECBINFHSA-N 1 0 294.315 -2.837 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN(C)S(=O)(=O)CC ZINC001497083420 893602490 /nfs/dbraw/zinc/60/24/90/893602490.db2.gz TVNBDZGQQBNBBJ-JTQLQIEISA-N 1 0 291.373 -2.032 20 30 CAEDRO Cc1c[nH]cc1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001497112730 893603853 /nfs/dbraw/zinc/60/38/53/893603853.db2.gz FIQGUGHNTCWGRO-SNVBAGLBSA-N 1 0 293.327 -1.357 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCCC(=O)N(C)C ZINC001497097904 893603904 /nfs/dbraw/zinc/60/39/04/893603904.db2.gz WRAQEZCZYUEPDY-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1nc2ncccn2n1 ZINC001497113490 893604228 /nfs/dbraw/zinc/60/42/28/893604228.db2.gz JJOYHYJNHYFJDF-SNVBAGLBSA-N 1 0 288.311 -1.633 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)Cn1cncn1 ZINC001497112764 893604323 /nfs/dbraw/zinc/60/43/23/893604323.db2.gz GWQKOSHLIPDGSB-JTQLQIEISA-N 1 0 253.306 -1.079 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1nc2ncccn2n1 ZINC001497113489 893605408 /nfs/dbraw/zinc/60/54/08/893605408.db2.gz JJOYHYJNHYFJDF-JTQLQIEISA-N 1 0 288.311 -1.633 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497091667 893605649 /nfs/dbraw/zinc/60/56/49/893605649.db2.gz SLUQCEMWYKKICN-SNVBAGLBSA-N 1 0 281.316 -1.936 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001497114586 893606183 /nfs/dbraw/zinc/60/61/83/893606183.db2.gz PMVWTJPDLVSOJC-JTQLQIEISA-N 1 0 298.343 -1.477 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001497119652 893607555 /nfs/dbraw/zinc/60/75/55/893607555.db2.gz VWXABCLCBIDXRQ-ZJUUUORDSA-N 1 0 276.358 -1.184 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001497115435 893607683 /nfs/dbraw/zinc/60/76/83/893607683.db2.gz TVJBKWCVRBEAEF-JTQLQIEISA-N 1 0 296.327 -2.030 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001497125088 893608121 /nfs/dbraw/zinc/60/81/21/893608121.db2.gz FESSDUZFRDDOFB-GFCCVEGCSA-N 1 0 280.328 -1.400 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001497129030 893608547 /nfs/dbraw/zinc/60/85/47/893608547.db2.gz UDMLJJRDGRNXDT-RKDXNWHRSA-N 1 0 267.285 -2.261 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001497122337 893608461 /nfs/dbraw/zinc/60/84/61/893608461.db2.gz RKSFHZUAWJUTIN-JTQLQIEISA-N 1 0 280.328 -1.573 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001497126060 893608568 /nfs/dbraw/zinc/60/85/68/893608568.db2.gz KWPVBOVCVBIFLT-SNVBAGLBSA-N 1 0 276.296 -1.506 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)nn1 ZINC001497182138 893611397 /nfs/dbraw/zinc/61/13/97/893611397.db2.gz UKCXOXKZRFLVKX-SECBINFHSA-N 1 0 293.331 -1.447 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)nn1 ZINC001497182139 893611461 /nfs/dbraw/zinc/61/14/61/893611461.db2.gz UKCXOXKZRFLVKX-VIFPVBQESA-N 1 0 293.331 -1.447 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001497260653 893612802 /nfs/dbraw/zinc/61/28/02/893612802.db2.gz YBNPXIVTTDZUDL-ZJUUUORDSA-N 1 0 297.359 -1.546 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001497260651 893614340 /nfs/dbraw/zinc/61/43/40/893614340.db2.gz YBNPXIVTTDZUDL-UWVGGRQHSA-N 1 0 297.359 -1.546 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C1=COCCO1 ZINC001497352077 893615619 /nfs/dbraw/zinc/61/56/19/893615619.db2.gz HJBRXTXXJUCQOG-UHFFFAOYSA-N 1 0 296.327 -1.048 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497391626 893616812 /nfs/dbraw/zinc/61/68/12/893616812.db2.gz UUOWMQSSQQUZEM-GHMZBOCLSA-N 1 0 296.327 -1.161 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001497464265 893618937 /nfs/dbraw/zinc/61/89/37/893618937.db2.gz MOFJZWBJUNDLQX-UHFFFAOYSA-N 1 0 292.339 -1.231 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnccn1 ZINC001497517084 893619180 /nfs/dbraw/zinc/61/91/80/893619180.db2.gz GZOLLRAYCUBSRT-OWOJBTEDSA-N 1 0 288.311 -1.008 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497521147 893620045 /nfs/dbraw/zinc/62/00/45/893620045.db2.gz KYYCOTBQDILPTB-HMDXOVGESA-N 1 0 295.343 -1.587 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497521146 893621492 /nfs/dbraw/zinc/62/14/92/893621492.db2.gz KYYCOTBQDILPTB-FSIBCCDJSA-N 1 0 295.343 -1.587 20 30 CAEDRO CCN(CC[NH2+]CC#CCOC)C(=O)c1nnn(C)n1 ZINC001497439334 893621536 /nfs/dbraw/zinc/62/15/36/893621536.db2.gz PAOKGNNUNBOHFH-UHFFFAOYSA-N 1 0 280.332 -1.088 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1ncc[nH]1 ZINC001497577983 893623020 /nfs/dbraw/zinc/62/30/20/893623020.db2.gz GXLBLHFOYFDNOX-UPHRSURJSA-N 1 0 276.300 -1.075 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)CC(N)=O ZINC001497550714 893624347 /nfs/dbraw/zinc/62/43/47/893624347.db2.gz NXZDTAVTIJXWLK-ORAHPGNNSA-N 1 0 280.328 -1.738 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)CC(N)=O ZINC001497550715 893624595 /nfs/dbraw/zinc/62/45/95/893624595.db2.gz NXZDTAVTIJXWLK-UMCURTJPSA-N 1 0 280.328 -1.738 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)CC(N)=O)C1=O ZINC001497551089 893624845 /nfs/dbraw/zinc/62/48/45/893624845.db2.gz UNUHPCUSAUXIRP-DLRQAJBASA-N 1 0 294.355 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnnn1C ZINC001497567408 893625116 /nfs/dbraw/zinc/62/51/16/893625116.db2.gz BXSOBZSEROUTFD-PLNGDYQASA-N 1 0 292.343 -1.007 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001497921651 893642010 /nfs/dbraw/zinc/64/20/10/893642010.db2.gz XKPBISVXXLSBJR-RKDXNWHRSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001497677746 893630035 /nfs/dbraw/zinc/63/00/35/893630035.db2.gz ALKISKREFHYOAG-CJOPTALJSA-N 1 0 292.339 -1.881 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnccn1 ZINC001497782133 893631416 /nfs/dbraw/zinc/63/14/16/893631416.db2.gz PXCITGGOPSJZEN-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ncc[nH]1 ZINC001497813816 893633590 /nfs/dbraw/zinc/63/35/90/893633590.db2.gz COUBBQLGECEJGT-MRVPVSSYSA-N 1 0 264.289 -1.243 20 30 CAEDRO Cc1c(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)nnn1C ZINC001497798676 893635510 /nfs/dbraw/zinc/63/55/10/893635510.db2.gz FDWYEVGTEJBKCL-MRVPVSSYSA-N 1 0 293.331 -1.529 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCOC1 ZINC001497794088 893635850 /nfs/dbraw/zinc/63/58/50/893635850.db2.gz APTXOMOAAYTZLK-GHMZBOCLSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001497787841 893636047 /nfs/dbraw/zinc/63/60/47/893636047.db2.gz DYTZFXZWEVRUBY-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001497817969 893638242 /nfs/dbraw/zinc/63/82/42/893638242.db2.gz NFDZJKYMHNMZBZ-SECBINFHSA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001497816696 893639666 /nfs/dbraw/zinc/63/96/66/893639666.db2.gz ZTLXNNNGOSHFIC-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC001497953739 893641031 /nfs/dbraw/zinc/64/10/31/893641031.db2.gz DXZALKNYUYSWHC-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001497928298 893641129 /nfs/dbraw/zinc/64/11/29/893641129.db2.gz YXMNXJCHXOKTTB-SFYZADRCSA-N 1 0 254.290 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001497884362 893641179 /nfs/dbraw/zinc/64/11/79/893641179.db2.gz SXEIDFKSBMZWQV-MNOVXSKESA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001497926583 893641842 /nfs/dbraw/zinc/64/18/42/893641842.db2.gz GMTIPSXGHWTXIM-SECBINFHSA-N 1 0 294.311 -1.475 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001497921650 893642347 /nfs/dbraw/zinc/64/23/47/893642347.db2.gz XKPBISVXXLSBJR-BDAKNGLRSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001497944178 893642895 /nfs/dbraw/zinc/64/28/95/893642895.db2.gz CLCVFHFJMRQSRO-RKDXNWHRSA-N 1 0 278.316 -1.350 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001497894360 893643071 /nfs/dbraw/zinc/64/30/71/893643071.db2.gz BQKHCEAYEGDLBY-SECBINFHSA-N 1 0 293.327 -1.220 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cc[n+]([O-])cc1 ZINC001498008941 893645168 /nfs/dbraw/zinc/64/51/68/893645168.db2.gz LCTQCCDZSRAUCP-JTQLQIEISA-N 1 0 291.311 -1.332 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)c1 ZINC001498010997 893645517 /nfs/dbraw/zinc/64/55/17/893645517.db2.gz WUNIVQXXZVIWEO-VIFPVBQESA-N 1 0 278.316 -1.232 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001497982540 893647100 /nfs/dbraw/zinc/64/71/00/893647100.db2.gz ZYJZEJSBHWCPQG-SECBINFHSA-N 1 0 251.286 -1.137 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnnn1C ZINC001498038664 893649250 /nfs/dbraw/zinc/64/92/50/893649250.db2.gz SPQNNHSWOFZBMW-UWVGGRQHSA-N 1 0 292.343 -1.339 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001498023906 893649631 /nfs/dbraw/zinc/64/96/31/893649631.db2.gz UDKLASPHPZPDHQ-ZJUUUORDSA-N 1 0 295.343 -1.801 20 30 CAEDRO C#CCOCCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001498041777 893649701 /nfs/dbraw/zinc/64/97/01/893649701.db2.gz GOEOLEHBNWEPNV-WDEREUQCSA-N 1 0 295.339 -1.074 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001498043126 893649807 /nfs/dbraw/zinc/64/98/07/893649807.db2.gz ZTLXNNNGOSHFIC-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001498112416 893657570 /nfs/dbraw/zinc/65/75/70/893657570.db2.gz FWAXAMROONWEEM-HZMBPMFUSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001498182795 893664272 /nfs/dbraw/zinc/66/42/72/893664272.db2.gz ZGQILAMWEMWPNT-IUCAKERBSA-N 1 0 266.301 -1.298 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001498182793 893664286 /nfs/dbraw/zinc/66/42/86/893664286.db2.gz ZGQILAMWEMWPNT-DTWKUNHWSA-N 1 0 266.301 -1.298 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001498180922 893664839 /nfs/dbraw/zinc/66/48/39/893664839.db2.gz IPSAPQZSSHPXEM-JTQLQIEISA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(N)=O ZINC001498493259 893681830 /nfs/dbraw/zinc/68/18/30/893681830.db2.gz YBJXYNICXNHJOP-MNOVXSKESA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001498549344 893682186 /nfs/dbraw/zinc/68/21/86/893682186.db2.gz FWQGARALYVCTAA-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)COC ZINC001498506600 893682580 /nfs/dbraw/zinc/68/25/80/893682580.db2.gz ZKAKZULYMHMBGK-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C(N)=O ZINC001498604494 893683849 /nfs/dbraw/zinc/68/38/49/893683849.db2.gz CUBWNTVDVQKHKI-VIFPVBQESA-N 1 0 268.317 -1.952 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)Cc1nnc[nH]1 ZINC001498638146 893684280 /nfs/dbraw/zinc/68/42/80/893684280.db2.gz BWZNILHDAUFJRF-UHFFFAOYSA-N 1 0 292.343 -1.465 20 30 CAEDRO Cc1n[nH]nc1C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001498589570 893685607 /nfs/dbraw/zinc/68/56/07/893685607.db2.gz GNQCOAFVXVABPT-UHFFFAOYSA-N 1 0 293.331 -1.195 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1cnon1)C1CC1 ZINC001498846508 893692305 /nfs/dbraw/zinc/69/23/05/893692305.db2.gz RMJKQIYSXIYQHX-SNVBAGLBSA-N 1 0 291.311 -1.083 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)c1cnon1)C1CC1 ZINC001498846507 893692713 /nfs/dbraw/zinc/69/27/13/893692713.db2.gz RMJKQIYSXIYQHX-JTQLQIEISA-N 1 0 291.311 -1.083 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001498828938 893693189 /nfs/dbraw/zinc/69/31/89/893693189.db2.gz OLDGVQWHINTIQY-VHSXEESVSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2COCCO2)CC1 ZINC001499167623 893708480 /nfs/dbraw/zinc/70/84/80/893708480.db2.gz DSDOUPKRKBLXDQ-LLVKDONJSA-N 1 0 295.339 -1.610 20 30 CAEDRO C=CC[NH2+]C1(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001499230650 893710567 /nfs/dbraw/zinc/71/05/67/893710567.db2.gz BZORCWHXRFWWAG-UHFFFAOYSA-N 1 0 278.316 -1.199 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2COCCO2)CC1 ZINC001499167624 893710839 /nfs/dbraw/zinc/71/08/39/893710839.db2.gz DSDOUPKRKBLXDQ-NSHDSACASA-N 1 0 295.339 -1.610 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)Cn2ncn(C)c2=O)CC1 ZINC001499271966 893713992 /nfs/dbraw/zinc/71/39/92/893713992.db2.gz KAWMAIXADYZVNX-UHFFFAOYSA-N 1 0 277.328 -1.157 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001499336024 893717689 /nfs/dbraw/zinc/71/76/89/893717689.db2.gz JGFXEAPZDTYGAE-UHFFFAOYSA-N 1 0 253.262 -2.650 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001499334442 893717711 /nfs/dbraw/zinc/71/77/11/893717711.db2.gz BYTQQEPRRCLWCU-VIFPVBQESA-N 1 0 250.302 -1.071 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001499336001 893719532 /nfs/dbraw/zinc/71/95/32/893719532.db2.gz JFRARSZXTRANOX-UHFFFAOYSA-N 1 0 254.290 -1.988 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001499897246 893725288 /nfs/dbraw/zinc/72/52/88/893725288.db2.gz VGHMCHAMWSNARO-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001499922874 893728294 /nfs/dbraw/zinc/72/82/94/893728294.db2.gz MOHMSTPZQZKCHK-QMMMGPOBSA-N 1 0 267.289 -2.308 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001499934767 893728656 /nfs/dbraw/zinc/72/86/56/893728656.db2.gz JSHGUFOPCPWYFB-JTQLQIEISA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001499920239 893728709 /nfs/dbraw/zinc/72/87/09/893728709.db2.gz BOWYCAJBAMSXQS-ZJUUUORDSA-N 1 0 280.328 -1.810 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)CC(N)=O)CCOCC1 ZINC001500565352 893735253 /nfs/dbraw/zinc/73/52/53/893735253.db2.gz JPVLRHQIEZIFJW-UHFFFAOYSA-N 1 0 297.355 -1.233 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500632031 893742262 /nfs/dbraw/zinc/74/22/62/893742262.db2.gz URSHFGZWFAIIOZ-LBPRGKRZSA-N 1 0 280.332 -1.198 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500632030 893742568 /nfs/dbraw/zinc/74/25/68/893742568.db2.gz URSHFGZWFAIIOZ-GFCCVEGCSA-N 1 0 280.332 -1.198 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001500683635 893744405 /nfs/dbraw/zinc/74/44/05/893744405.db2.gz IMCKQTIUUXHEOX-ZDUSSCGKSA-N 1 0 282.344 -1.508 20 30 CAEDRO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001500683900 893746364 /nfs/dbraw/zinc/74/63/64/893746364.db2.gz NQKNZOVTYBFZGO-CYBMUJFWSA-N 1 0 282.344 -1.508 20 30 CAEDRO C#CCOCCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500677835 893746805 /nfs/dbraw/zinc/74/68/05/893746805.db2.gz RXULAFYAWGQXSK-CYBMUJFWSA-N 1 0 270.329 -1.428 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001500753740 893751100 /nfs/dbraw/zinc/75/11/00/893751100.db2.gz DWQUHKQLWZPOSI-SMDDNHRTSA-N 1 0 279.340 -1.159 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001500758726 893754053 /nfs/dbraw/zinc/75/40/53/893754053.db2.gz JDNZRCQWXBNLBA-CYBMUJFWSA-N 1 0 282.344 -1.379 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001500718029 893753948 /nfs/dbraw/zinc/75/39/48/893753948.db2.gz LCMNNDGROUPDIA-AWEZNQCLSA-N 1 0 290.323 -1.040 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001500759342 893754431 /nfs/dbraw/zinc/75/44/31/893754431.db2.gz VGDAIFVXEXYLNK-AWEZNQCLSA-N 1 0 293.323 -1.678 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)NC(C)=O ZINC001501433775 893793529 /nfs/dbraw/zinc/79/35/29/893793529.db2.gz PWCFVPPVZCZZER-GFCCVEGCSA-N 1 0 299.371 -1.429 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001501442785 893797109 /nfs/dbraw/zinc/79/71/09/893797109.db2.gz FPTKJVDRAVDJHZ-NXEZZACHSA-N 1 0 296.327 -1.638 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N ZINC001501443782 893797578 /nfs/dbraw/zinc/79/75/78/893797578.db2.gz UMNAIJOUVQDWLI-VIFPVBQESA-N 1 0 299.331 -1.988 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001501442792 893797652 /nfs/dbraw/zinc/79/76/52/893797652.db2.gz FPTKJVDRAVDJHZ-ZJUUUORDSA-N 1 0 296.327 -1.638 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+]CC(=O)NC1CC1 ZINC001501442931 893797683 /nfs/dbraw/zinc/79/76/83/893797683.db2.gz HVKODCJOIOFZHQ-SNVBAGLBSA-N 1 0 282.344 -1.165 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001501455959 893799498 /nfs/dbraw/zinc/79/94/98/893799498.db2.gz IAANYLGJCLSFMH-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO N#Cc1cc(C(=O)N(CCO)CC[NH2+]CC(N)=O)c[nH]1 ZINC001501449974 893799944 /nfs/dbraw/zinc/79/99/44/893799944.db2.gz BRWGFWUDZQABSJ-UHFFFAOYSA-N 1 0 279.300 -1.604 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)C#CC1CC1 ZINC001501457878 893800132 /nfs/dbraw/zinc/80/01/32/893800132.db2.gz HQZZSXPGWAKFBW-UHFFFAOYSA-N 1 0 291.351 -1.440 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)Cc1nnc(C)o1 ZINC001501455292 893802260 /nfs/dbraw/zinc/80/22/60/893802260.db2.gz QAJGZBRSBWUBOS-UHFFFAOYSA-N 1 0 266.301 -1.036 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cc[nH]c1 ZINC001501459561 893802601 /nfs/dbraw/zinc/80/26/01/893802601.db2.gz SSYVAGJCXAHXCJ-UHFFFAOYSA-N 1 0 292.339 -1.212 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cnc[nH]c1=O ZINC001501464206 893805721 /nfs/dbraw/zinc/80/57/21/893805721.db2.gz TWYRWKPPPQVDFD-UHFFFAOYSA-N 1 0 264.285 -1.161 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC12CC2 ZINC001501495389 893807564 /nfs/dbraw/zinc/80/75/64/893807564.db2.gz LANXRHMTFQKWQH-NSHDSACASA-N 1 0 294.355 -1.163 20 30 CAEDRO C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001501482443 893808364 /nfs/dbraw/zinc/80/83/64/893808364.db2.gz SBIQEWSVRIQWHO-LLVKDONJSA-N 1 0 284.360 -1.003 20 30 CAEDRO C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001501482444 893810678 /nfs/dbraw/zinc/81/06/78/893810678.db2.gz SBIQEWSVRIQWHO-NSHDSACASA-N 1 0 284.360 -1.003 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN1CCC(=O)NC1=O ZINC001501506089 893812082 /nfs/dbraw/zinc/81/20/82/893812082.db2.gz LMKVLEXKKUZGCG-UHFFFAOYSA-N 1 0 296.327 -2.028 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001501515018 893812206 /nfs/dbraw/zinc/81/22/06/893812206.db2.gz ULFQGRUXLFMFSF-SNVBAGLBSA-N 1 0 291.373 -1.725 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001501709895 893822690 /nfs/dbraw/zinc/82/26/90/893822690.db2.gz BQZSCTQMFFTZKH-XYPYZODXSA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CC(N)=O ZINC001501867534 893829745 /nfs/dbraw/zinc/82/97/45/893829745.db2.gz DSBZDEZJSNGWFM-LLVKDONJSA-N 1 0 294.355 -1.418 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001502051332 893834312 /nfs/dbraw/zinc/83/43/12/893834312.db2.gz NSQRCCOIQPYHEO-GXFFZTMASA-N 1 0 285.344 -1.384 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001502051027 893835571 /nfs/dbraw/zinc/83/55/71/893835571.db2.gz IFLDIAYHBODXKV-JTQLQIEISA-N 1 0 263.301 -1.121 20 30 CAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001502058847 893835945 /nfs/dbraw/zinc/83/59/45/893835945.db2.gz ZXVUIESEUKOYBF-UWVGGRQHSA-N 1 0 296.327 -1.413 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CCOCC2=O)CCO1 ZINC001502058086 893836106 /nfs/dbraw/zinc/83/61/06/893836106.db2.gz LJPQBUOBAZTSHT-LBPRGKRZSA-N 1 0 295.339 -1.705 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001502051333 893836821 /nfs/dbraw/zinc/83/68/21/893836821.db2.gz NSQRCCOIQPYHEO-MFKMUULPSA-N 1 0 285.344 -1.384 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001502081216 893838007 /nfs/dbraw/zinc/83/80/07/893838007.db2.gz MKQRISFWZICSMT-SNVBAGLBSA-N 1 0 263.301 -1.121 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001502058848 893838624 /nfs/dbraw/zinc/83/86/24/893838624.db2.gz ZXVUIESEUKOYBF-ZJUUUORDSA-N 1 0 296.327 -1.413 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001502068630 893839065 /nfs/dbraw/zinc/83/90/65/893839065.db2.gz HOAOUKVPDXYHPB-QWRGUYRKSA-N 1 0 280.328 -1.540 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001502068629 893840882 /nfs/dbraw/zinc/84/08/82/893840882.db2.gz HOAOUKVPDXYHPB-MNOVXSKESA-N 1 0 280.328 -1.540 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505660182 893891777 /nfs/dbraw/zinc/89/17/77/893891777.db2.gz KIDXYYAWYRCQPQ-BDAKNGLRSA-N 1 0 276.362 -1.844 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 ZINC001502599958 893855149 /nfs/dbraw/zinc/85/51/49/893855149.db2.gz KVLRJUGSJFQXFN-ZDUSSCGKSA-N 1 0 282.344 -1.379 20 30 CAEDRO COCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001502696767 893858420 /nfs/dbraw/zinc/85/84/20/893858420.db2.gz HVSXUZOLVKQVGZ-UWVGGRQHSA-N 1 0 268.317 -1.291 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1C ZINC001502724175 893858466 /nfs/dbraw/zinc/85/84/66/893858466.db2.gz ITTKZFMKMZONGC-CMPLNLGQSA-N 1 0 294.355 -1.692 20 30 CAEDRO COCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001502696768 893860469 /nfs/dbraw/zinc/86/04/69/893860469.db2.gz HVSXUZOLVKQVGZ-VHSXEESVSA-N 1 0 268.317 -1.291 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001502725116 893861143 /nfs/dbraw/zinc/86/11/43/893861143.db2.gz SACAGYNRRVGOSP-KOLCDFICSA-N 1 0 290.327 -1.396 20 30 CAEDRO C#CCC[NH2+]CC1(O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001502871110 893863137 /nfs/dbraw/zinc/86/31/37/893863137.db2.gz ZBNPCDHYPNWTPJ-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001502883742 893863945 /nfs/dbraw/zinc/86/39/45/893863945.db2.gz WEJYBDIJKAJCHV-UHFFFAOYSA-N 1 0 298.343 -2.283 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001502968223 893865364 /nfs/dbraw/zinc/86/53/64/893865364.db2.gz LHAGKRMWTWJVNK-UWVGGRQHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C[C@@H](CCNC(=O)[C@H]1COCCO1)[NH2+]CC(=O)NCC#N ZINC001503094695 893868078 /nfs/dbraw/zinc/86/80/78/893868078.db2.gz SGQMCODYSJNTQM-WDEREUQCSA-N 1 0 298.343 -1.474 20 30 CAEDRO C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001503414626 893867477 /nfs/dbraw/zinc/86/74/77/893867477.db2.gz ZQQHZAUSFNHXIO-UWVGGRQHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCNC1=O ZINC001503413938 893868406 /nfs/dbraw/zinc/86/84/06/893868406.db2.gz BQWSXJKCTHBXRD-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC001502968228 893870066 /nfs/dbraw/zinc/87/00/66/893870066.db2.gz LHAGKRMWTWJVNK-ZJUUUORDSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505660193 893889480 /nfs/dbraw/zinc/88/94/80/893889480.db2.gz KIDXYYAWYRCQPQ-DTWKUNHWSA-N 1 0 276.362 -1.844 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505660195 893889533 /nfs/dbraw/zinc/88/95/33/893889533.db2.gz KIDXYYAWYRCQPQ-IUCAKERBSA-N 1 0 276.362 -1.844 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001505680821 893889581 /nfs/dbraw/zinc/88/95/81/893889581.db2.gz FTNWYJNZHYVUGV-VHSXEESVSA-N 1 0 294.355 -1.516 20 30 CAEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001505982026 893907965 /nfs/dbraw/zinc/90/79/65/893907965.db2.gz VLOPWBWCSDSSFT-SNVBAGLBSA-N 1 0 280.332 -1.090 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001506033664 893909145 /nfs/dbraw/zinc/90/91/45/893909145.db2.gz KEDVDLQEXUDXTG-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001505991701 893912076 /nfs/dbraw/zinc/91/20/76/893912076.db2.gz YLWGXBHTQJGHRU-GHMZBOCLSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001506033665 893913173 /nfs/dbraw/zinc/91/31/73/893913173.db2.gz KEDVDLQEXUDXTG-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001506064844 893915996 /nfs/dbraw/zinc/91/59/96/893915996.db2.gz DQXZBMOKLSEVIR-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001506771032 893938270 /nfs/dbraw/zinc/93/82/70/893938270.db2.gz FIDJOKMDXSDMGZ-RTCCRHLQSA-N 1 0 292.339 -2.095 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001506882473 893945518 /nfs/dbraw/zinc/94/55/18/893945518.db2.gz CVPGIAYIEYHFQA-MGCOHNPYSA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001506889407 893946629 /nfs/dbraw/zinc/94/66/29/893946629.db2.gz VDTCYUUKQQFPNK-MGCOHNPYSA-N 1 0 290.327 -1.348 20 30 CAEDRO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001506892280 893947126 /nfs/dbraw/zinc/94/71/26/893947126.db2.gz KSMAOAYASWDRNZ-JOCQHMNTSA-N 1 0 292.383 -1.074 20 30 CAEDRO C=CCOCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506846622 893948347 /nfs/dbraw/zinc/94/83/47/893948347.db2.gz WSIZCSWAFVLNMA-WDEREUQCSA-N 1 0 285.344 -1.120 20 30 CAEDRO C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)c1nnc[nH]1 ZINC001506941380 893950249 /nfs/dbraw/zinc/95/02/49/893950249.db2.gz DBBKXKLRCWEROO-SECBINFHSA-N 1 0 293.331 -1.067 20 30 CAEDRO C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC001506960770 893952905 /nfs/dbraw/zinc/95/29/05/893952905.db2.gz LWHJDIYPDLMNQF-UHFFFAOYSA-N 1 0 282.344 -1.303 20 30 CAEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001507079820 893954564 /nfs/dbraw/zinc/95/45/64/893954564.db2.gz OTLMWEGBULHYEP-VIFPVBQESA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC(N)=O ZINC001507061762 893956016 /nfs/dbraw/zinc/95/60/16/893956016.db2.gz XACDALCOSJGJRN-UWVGGRQHSA-N 1 0 282.344 -1.564 20 30 CAEDRO C=CCOCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001507058477 893956147 /nfs/dbraw/zinc/95/61/47/893956147.db2.gz BGUBZQNBOVMDGM-VIFPVBQESA-N 1 0 286.332 -1.180 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC(N)=O ZINC001507061760 893956512 /nfs/dbraw/zinc/95/65/12/893956512.db2.gz XACDALCOSJGJRN-NXEZZACHSA-N 1 0 282.344 -1.564 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001507050686 893957499 /nfs/dbraw/zinc/95/74/99/893957499.db2.gz XEJFABOHRZHRJN-SNVBAGLBSA-N 1 0 295.347 -1.588 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001507143462 893959929 /nfs/dbraw/zinc/95/99/29/893959929.db2.gz ZARGNFROOJBUEP-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001507143465 893960018 /nfs/dbraw/zinc/96/00/18/893960018.db2.gz ZARGNFROOJBUEP-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C[C@@H](CN(C)C(=O)Cn1cncn1)[NH2+]CC(=O)NCC#N ZINC001507152066 893961026 /nfs/dbraw/zinc/96/10/26/893961026.db2.gz HMJJZCMVKAXOQP-JTQLQIEISA-N 1 0 293.331 -1.646 20 30 CAEDRO C[C@H](CN(C)C(=O)Cn1cncn1)[NH2+]CC(=O)NCC#N ZINC001507152071 893961628 /nfs/dbraw/zinc/96/16/28/893961628.db2.gz HMJJZCMVKAXOQP-SNVBAGLBSA-N 1 0 293.331 -1.646 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CCC ZINC001507168583 893965994 /nfs/dbraw/zinc/96/59/94/893965994.db2.gz UKJMPJLKLNKZBI-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001507176835 893968946 /nfs/dbraw/zinc/96/89/46/893968946.db2.gz CFBWAHCCTKQVNQ-VHSXEESVSA-N 1 0 282.344 -1.166 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCn1cccn1 ZINC001507172933 893969150 /nfs/dbraw/zinc/96/91/50/893969150.db2.gz BAXWHOVMTRAESF-ZDUSSCGKSA-N 1 0 294.355 -1.010 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001507176337 893970282 /nfs/dbraw/zinc/97/02/82/893970282.db2.gz GKTSHQOTYGEPNG-QWRGUYRKSA-N 1 0 298.343 -1.738 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCn1cccn1 ZINC001507175203 893971021 /nfs/dbraw/zinc/97/10/21/893971021.db2.gz RDJBPPNOOAZOMU-LLVKDONJSA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc[nH]1 ZINC001507172624 893971141 /nfs/dbraw/zinc/97/11/41/893971141.db2.gz NHBIALSFZIZUAB-MNOVXSKESA-N 1 0 292.339 -1.167 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001507176834 893971335 /nfs/dbraw/zinc/97/13/35/893971335.db2.gz CFBWAHCCTKQVNQ-UWVGGRQHSA-N 1 0 282.344 -1.166 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C)n[nH]1 ZINC001507177408 893972503 /nfs/dbraw/zinc/97/25/03/893972503.db2.gz BFUJTVWKQPDUGN-SNVBAGLBSA-N 1 0 295.343 -1.299 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cocn1 ZINC001507179155 893973495 /nfs/dbraw/zinc/97/34/95/893973495.db2.gz PDEJFPLVPSOEIT-SECBINFHSA-N 1 0 280.284 -1.896 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001507177930 893974200 /nfs/dbraw/zinc/97/42/00/893974200.db2.gz GIECOMBITRSQJQ-RYUDHWBXSA-N 1 0 270.329 -1.261 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001507177928 893975929 /nfs/dbraw/zinc/97/59/29/893975929.db2.gz GIECOMBITRSQJQ-NEPJUHHUSA-N 1 0 270.329 -1.261 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001507180326 893976730 /nfs/dbraw/zinc/97/67/30/893976730.db2.gz UFEHECZEQVXKPF-VHSXEESVSA-N 1 0 266.301 -2.038 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001507183540 893977833 /nfs/dbraw/zinc/97/78/33/893977833.db2.gz QFDVDXYJMDXPAW-NSHDSACASA-N 1 0 293.327 -2.232 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC1(O)CCC1 ZINC001507190451 893982215 /nfs/dbraw/zinc/98/22/15/893982215.db2.gz RSLKJMWZNNXHEM-LLVKDONJSA-N 1 0 297.355 -1.892 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001507186210 893983482 /nfs/dbraw/zinc/98/34/82/893983482.db2.gz TZWAHBVXUCXOML-JTQLQIEISA-N 1 0 293.327 -1.345 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001507192677 893986624 /nfs/dbraw/zinc/98/66/24/893986624.db2.gz FQGXSOJPSJEMDQ-KWQFWETISA-N 1 0 259.306 -2.135 20 30 CAEDRO CC[C@H]([NH2+][C@H](CO)CNC(=O)C#CC1CC1)C(N)=O ZINC001507194697 893986826 /nfs/dbraw/zinc/98/68/26/893986826.db2.gz PZIWGGLQNRBARX-QWRGUYRKSA-N 1 0 267.329 -1.270 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC ZINC001507191799 893987132 /nfs/dbraw/zinc/98/71/32/893987132.db2.gz CIAYPUDBEVCTIG-QWRGUYRKSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001507193664 893987830 /nfs/dbraw/zinc/98/78/30/893987830.db2.gz LQWMKFJSKDKRSB-GFCCVEGCSA-N 1 0 281.356 -1.009 20 30 CAEDRO CNC(=O)C[NH2+][C@H](CO)CNC(=O)C#CC(C)(C)C ZINC001507195465 893987990 /nfs/dbraw/zinc/98/79/90/893987990.db2.gz UTHSQKXNKLFMEU-JTQLQIEISA-N 1 0 269.345 -1.151 20 30 CAEDRO NC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001507195064 893988696 /nfs/dbraw/zinc/98/86/96/893988696.db2.gz SAAFRMXDOZMZHJ-VIFPVBQESA-N 1 0 282.300 -2.339 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC ZINC001507191797 893989538 /nfs/dbraw/zinc/98/95/38/893989538.db2.gz CIAYPUDBEVCTIG-GHMZBOCLSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC1CC1)C(N)=O ZINC001507194695 893989655 /nfs/dbraw/zinc/98/96/55/893989655.db2.gz PZIWGGLQNRBARX-MNOVXSKESA-N 1 0 267.329 -1.270 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN(C)S(C)(=O)=O ZINC001507202785 893990954 /nfs/dbraw/zinc/99/09/54/893990954.db2.gz LEQJMDPARZLSNP-SECBINFHSA-N 1 0 277.346 -2.422 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CN(C)C(=O)COC ZINC001507203548 893991143 /nfs/dbraw/zinc/99/11/43/893991143.db2.gz OJCVKGFXCRPPHO-LLVKDONJSA-N 1 0 285.344 -1.819 20 30 CAEDRO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001507202272 893991576 /nfs/dbraw/zinc/99/15/76/893991576.db2.gz KTWRDPQPZOLJNJ-SNVBAGLBSA-N 1 0 286.332 -2.368 20 30 CAEDRO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001507202271 893992359 /nfs/dbraw/zinc/99/23/59/893992359.db2.gz KTWRDPQPZOLJNJ-JTQLQIEISA-N 1 0 286.332 -2.368 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001507201897 893992643 /nfs/dbraw/zinc/99/26/43/893992643.db2.gz PNMADGXMXJTUJZ-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001507200961 893993258 /nfs/dbraw/zinc/99/32/58/893993258.db2.gz FVCKRGWFDODGKU-RYUDHWBXSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CNC(=O)c1ccncc1 ZINC001507201147 893993292 /nfs/dbraw/zinc/99/32/92/893993292.db2.gz SXOOBRSDLKEKFJ-LBPRGKRZSA-N 1 0 290.323 -1.489 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001507205936 893995542 /nfs/dbraw/zinc/99/55/42/893995542.db2.gz MWDIRFZWYGRLDV-ZWNOBZJWSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001507210494 893995914 /nfs/dbraw/zinc/99/59/14/893995914.db2.gz BGNFPQQWQKTTAA-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cncn1C ZINC001507214671 893996522 /nfs/dbraw/zinc/99/65/22/893996522.db2.gz NBWWAYVDHALROY-SNVBAGLBSA-N 1 0 295.343 -1.597 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001507214626 893997767 /nfs/dbraw/zinc/99/77/67/893997767.db2.gz IPJRNLMFEWHBEQ-NWDGAFQWSA-N 1 0 291.355 -1.070 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001507210493 893997811 /nfs/dbraw/zinc/99/78/11/893997811.db2.gz BGNFPQQWQKTTAA-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001507205933 893997852 /nfs/dbraw/zinc/99/78/52/893997852.db2.gz MWDIRFZWYGRLDV-MFKMUULPSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc2n(n1)CCCO2 ZINC001507214936 893997901 /nfs/dbraw/zinc/99/79/01/893997901.db2.gz KTBHVJWXYDNDHV-SNVBAGLBSA-N 1 0 278.312 -1.021 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001507204752 893997934 /nfs/dbraw/zinc/99/79/34/893997934.db2.gz ZHDJPVHYPLAZJM-LLVKDONJSA-N 1 0 294.311 -1.488 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1csnn1 ZINC001507222916 893999390 /nfs/dbraw/zinc/99/93/90/893999390.db2.gz OHSMIFPBOTUNMO-VIFPVBQESA-N 1 0 284.341 -1.132 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCn1ccnc1 ZINC001507219437 893999590 /nfs/dbraw/zinc/99/95/90/893999590.db2.gz CQDWJTDICBWHOB-CYBMUJFWSA-N 1 0 294.355 -1.010 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1csnn1 ZINC001507222915 894000051 /nfs/dbraw/zinc/00/00/51/894000051.db2.gz OHSMIFPBOTUNMO-SECBINFHSA-N 1 0 284.341 -1.132 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1cncc1C ZINC001507219258 894000421 /nfs/dbraw/zinc/00/04/21/894000421.db2.gz OMUJFNWNYUVENA-NSHDSACASA-N 1 0 250.302 -1.109 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCn1ccnc1 ZINC001507219438 894000744 /nfs/dbraw/zinc/00/07/44/894000744.db2.gz CQDWJTDICBWHOB-ZDUSSCGKSA-N 1 0 294.355 -1.010 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(=O)c(OC)co1 ZINC001507220515 894000886 /nfs/dbraw/zinc/00/08/86/894000886.db2.gz VPXGUYDQVSBQPT-SECBINFHSA-N 1 0 280.280 -1.038 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCn1ncn(C)c1=O ZINC001507219342 894001247 /nfs/dbraw/zinc/00/12/47/894001247.db2.gz QTTSEPURSYSKPJ-NSHDSACASA-N 1 0 297.359 -1.385 20 30 CAEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001507222889 894001538 /nfs/dbraw/zinc/00/15/38/894001538.db2.gz UAKADCSRGDXJDR-SNVBAGLBSA-N 1 0 282.344 -1.095 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001507223576 894003136 /nfs/dbraw/zinc/00/31/36/894003136.db2.gz SBHJMVTZQOIXKV-MNOVXSKESA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001507226557 894003572 /nfs/dbraw/zinc/00/35/72/894003572.db2.gz CPBFQIOYBJOZBF-GHMZBOCLSA-N 1 0 291.355 -1.380 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001507227267 894004419 /nfs/dbraw/zinc/00/44/19/894004419.db2.gz VSMOAVBZSVQUKE-MRVPVSSYSA-N 1 0 295.303 -3.360 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001507227138 894005164 /nfs/dbraw/zinc/00/51/64/894005164.db2.gz VTBCIURBFALCQO-VHSXEESVSA-N 1 0 270.333 -1.347 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001507228135 894005318 /nfs/dbraw/zinc/00/53/18/894005318.db2.gz XXXDJQPYWGGPCQ-QWRGUYRKSA-N 1 0 283.328 -2.161 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001507226559 894007319 /nfs/dbraw/zinc/00/73/19/894007319.db2.gz CPBFQIOYBJOZBF-MNOVXSKESA-N 1 0 291.355 -1.380 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001507227140 894007665 /nfs/dbraw/zinc/00/76/65/894007665.db2.gz VTBCIURBFALCQO-ZJUUUORDSA-N 1 0 270.333 -1.347 20 30 CAEDRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NCC#N)C1 ZINC001507231946 894008533 /nfs/dbraw/zinc/00/85/33/894008533.db2.gz IHMVKPPXOSJSMJ-QWRGUYRKSA-N 1 0 254.334 -1.082 20 30 CAEDRO N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)cc1 ZINC001507232785 894009554 /nfs/dbraw/zinc/00/95/54/894009554.db2.gz QKTAEVOJLIVKLR-LLVKDONJSA-N 1 0 276.296 -1.390 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001507234908 894009812 /nfs/dbraw/zinc/00/98/12/894009812.db2.gz HACKTEHLYJUONO-QMMMGPOBSA-N 1 0 299.306 -1.469 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001507234255 894011478 /nfs/dbraw/zinc/01/14/78/894011478.db2.gz WJVIMHYBTRGTCZ-BBBLOLIVSA-N 1 0 253.302 -1.802 20 30 CAEDRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)NCC#N)C1 ZINC001507231948 894013241 /nfs/dbraw/zinc/01/32/41/894013241.db2.gz IHMVKPPXOSJSMJ-WDEREUQCSA-N 1 0 254.334 -1.082 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001507235534 894014800 /nfs/dbraw/zinc/01/48/00/894014800.db2.gz UTEDCPGQUQGPRX-RISCZKNCSA-N 1 0 297.355 -1.628 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](CC)NC(C)=O ZINC001507237175 894015196 /nfs/dbraw/zinc/01/51/96/894015196.db2.gz BKWPKKDSBVDRJZ-RYUDHWBXSA-N 1 0 269.345 -1.009 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cccnn1 ZINC001507242255 894016006 /nfs/dbraw/zinc/01/60/06/894016006.db2.gz FOYRAZVWXVHLPV-LLVKDONJSA-N 1 0 278.312 -1.193 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001507243953 894021105 /nfs/dbraw/zinc/02/11/05/894021105.db2.gz NRXMXFXGSWSUJT-ZJUUUORDSA-N 1 0 253.302 -1.645 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1oncc1C ZINC001507249469 894022846 /nfs/dbraw/zinc/02/28/46/894022846.db2.gz USFCFRJRGCQFOJ-SNVBAGLBSA-N 1 0 296.327 -1.034 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001507253822 894025540 /nfs/dbraw/zinc/02/55/40/894025540.db2.gz GBTWWKDMVRTKQT-SECBINFHSA-N 1 0 253.306 -1.010 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)nc1 ZINC001507253289 894028844 /nfs/dbraw/zinc/02/88/44/894028844.db2.gz OHULNIZZNDKJOV-LLVKDONJSA-N 1 0 290.323 -1.511 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001507259833 894029847 /nfs/dbraw/zinc/02/98/47/894029847.db2.gz KCJGRORSUYQTDV-SNVBAGLBSA-N 1 0 283.328 -1.222 20 30 CAEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)NCC#N ZINC001507259405 894030505 /nfs/dbraw/zinc/03/05/05/894030505.db2.gz DUWRSOZKWNCZNR-RYUDHWBXSA-N 1 0 284.360 -1.455 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001507253817 894030745 /nfs/dbraw/zinc/03/07/45/894030745.db2.gz FYMIVHSFAIZVSV-VIFPVBQESA-N 1 0 251.290 -1.563 20 30 CAEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)NCC#N ZINC001507259400 894030870 /nfs/dbraw/zinc/03/08/70/894030870.db2.gz DUWRSOZKWNCZNR-NEPJUHHUSA-N 1 0 284.360 -1.455 20 30 CAEDRO COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001507270615 894034418 /nfs/dbraw/zinc/03/44/18/894034418.db2.gz RWNCWGOWLQUMMG-VHSXEESVSA-N 1 0 268.317 -1.148 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001507266043 894034479 /nfs/dbraw/zinc/03/44/79/894034479.db2.gz WZBCTJAKSORGDJ-NEPJUHHUSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001507276152 894035294 /nfs/dbraw/zinc/03/52/94/894035294.db2.gz ZJTAYLRQPGEOQG-ZJUUUORDSA-N 1 0 298.343 -1.037 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001507264563 894035369 /nfs/dbraw/zinc/03/53/69/894035369.db2.gz HFHHBVZRRHLESV-LLVKDONJSA-N 1 0 293.327 -1.736 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001507266045 894036012 /nfs/dbraw/zinc/03/60/12/894036012.db2.gz WZBCTJAKSORGDJ-RYUDHWBXSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)N(C)C ZINC001507263340 894036240 /nfs/dbraw/zinc/03/62/40/894036240.db2.gz VGYBDJCWMFNSLV-SNVBAGLBSA-N 1 0 293.389 -1.479 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001507307342 894037890 /nfs/dbraw/zinc/03/78/90/894037890.db2.gz TUEUQGBPMKTZAL-ZJUUUORDSA-N 1 0 282.344 -1.257 20 30 CAEDRO COCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001507300045 894038397 /nfs/dbraw/zinc/03/83/97/894038397.db2.gz KAISUKUBJZYJDS-VHSXEESVSA-N 1 0 268.317 -1.148 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1C ZINC001507286570 894039469 /nfs/dbraw/zinc/03/94/69/894039469.db2.gz ZVNFWRWXYTTXEB-NXEZZACHSA-N 1 0 290.389 -1.195 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(F)F ZINC001507456235 894042239 /nfs/dbraw/zinc/04/22/39/894042239.db2.gz GCBKSPLJRQNKBI-IUCAKERBSA-N 1 0 291.298 -1.202 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001507461940 894043110 /nfs/dbraw/zinc/04/31/10/894043110.db2.gz SXGJLEILVDRMSU-NWDGAFQWSA-N 1 0 299.371 -1.124 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C1CCC1 ZINC001507459062 894043206 /nfs/dbraw/zinc/04/32/06/894043206.db2.gz XVFMKKTUJNNOHD-LLVKDONJSA-N 1 0 282.344 -1.165 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001507412389 894044126 /nfs/dbraw/zinc/04/41/26/894044126.db2.gz WEVZZQFRSOTJKT-QWRGUYRKSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001507443023 894045264 /nfs/dbraw/zinc/04/52/64/894045264.db2.gz LRLUSHOVIRIHBP-UWVGGRQHSA-N 1 0 294.355 -1.564 20 30 CAEDRO COCC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001507458102 894046256 /nfs/dbraw/zinc/04/62/56/894046256.db2.gz PLPNFUBXQRVIPN-SECBINFHSA-N 1 0 272.305 -2.319 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001507443021 894046299 /nfs/dbraw/zinc/04/62/99/894046299.db2.gz LRLUSHOVIRIHBP-NXEZZACHSA-N 1 0 294.355 -1.564 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001507471536 894047363 /nfs/dbraw/zinc/04/73/63/894047363.db2.gz RCWOAUALMBREMU-VXGBXAGGSA-N 1 0 271.361 -1.088 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001507472577 894048398 /nfs/dbraw/zinc/04/83/98/894048398.db2.gz WZYLWECCXSHHRD-QWRGUYRKSA-N 1 0 297.359 -1.420 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001507471535 894048942 /nfs/dbraw/zinc/04/89/42/894048942.db2.gz RCWOAUALMBREMU-RYUDHWBXSA-N 1 0 271.361 -1.088 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cocn1 ZINC001507471632 894049466 /nfs/dbraw/zinc/04/94/66/894049466.db2.gz NQXDMRSOLYOIDY-SECBINFHSA-N 1 0 295.299 -1.663 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001507471534 894050066 /nfs/dbraw/zinc/05/00/66/894050066.db2.gz RCWOAUALMBREMU-NWDGAFQWSA-N 1 0 271.361 -1.088 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001507470478 894050316 /nfs/dbraw/zinc/05/03/16/894050316.db2.gz RWNPYWJRQXMGBF-SECBINFHSA-N 1 0 263.301 -1.286 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)CC ZINC001507470319 894050574 /nfs/dbraw/zinc/05/05/74/894050574.db2.gz FXJNJKLIODRIOM-SNVBAGLBSA-N 1 0 255.318 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(CC)n1 ZINC001507478688 894052932 /nfs/dbraw/zinc/05/29/32/894052932.db2.gz HCQIPZJDMWXTJZ-SNVBAGLBSA-N 1 0 265.317 -1.046 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001507484452 894054399 /nfs/dbraw/zinc/05/43/99/894054399.db2.gz CMDSNSICKGRURT-SNVBAGLBSA-N 1 0 280.328 -1.011 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001507485566 894057282 /nfs/dbraw/zinc/05/72/82/894057282.db2.gz AGIVLQPKUBEYDM-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)COCc1nccn1C ZINC001507485637 894058126 /nfs/dbraw/zinc/05/81/26/894058126.db2.gz BZDHBUCJSGHTHC-GFCCVEGCSA-N 1 0 294.355 -1.021 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001507497417 894058290 /nfs/dbraw/zinc/05/82/90/894058290.db2.gz KTGNJAOAWXGYSJ-GRYCIOLGSA-N 1 0 281.356 -1.199 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001507588512 894065906 /nfs/dbraw/zinc/06/59/06/894065906.db2.gz UCFRPBMVXWHORM-LBPRGKRZSA-N 1 0 269.345 -1.151 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001507486290 894059566 /nfs/dbraw/zinc/05/95/66/894059566.db2.gz PRRBEJUZTBDRTP-NSHDSACASA-N 1 0 299.371 -1.443 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001507502126 894060798 /nfs/dbraw/zinc/06/07/98/894060798.db2.gz GPPOWGGJXIBGAZ-QMMMGPOBSA-N 1 0 270.289 -3.370 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001507501697 894062028 /nfs/dbraw/zinc/06/20/28/894062028.db2.gz BLFIHQJGZMWQDA-RKDXNWHRSA-N 1 0 286.332 -2.429 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001507501686 894062275 /nfs/dbraw/zinc/06/22/75/894062275.db2.gz BLFIHQJGZMWQDA-BDAKNGLRSA-N 1 0 286.332 -2.429 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1(C(=O)NC)CC1 ZINC001507509220 894062310 /nfs/dbraw/zinc/06/23/10/894062310.db2.gz RCVOZEFHACLUQN-NSHDSACASA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001507501692 894062670 /nfs/dbraw/zinc/06/26/70/894062670.db2.gz BLFIHQJGZMWQDA-DTWKUNHWSA-N 1 0 286.332 -2.429 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001507499201 894063195 /nfs/dbraw/zinc/06/31/95/894063195.db2.gz HENDQKKSHMZWPP-NXEZZACHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507585694 894065312 /nfs/dbraw/zinc/06/53/12/894065312.db2.gz HBEWQTJNFOGSKK-SNVBAGLBSA-N 1 0 266.305 -1.943 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CS(=O)(=O)CC ZINC001507569443 894065433 /nfs/dbraw/zinc/06/54/33/894065433.db2.gz UWOQXOFWECHEQQ-JTQLQIEISA-N 1 0 276.358 -1.537 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001507581843 894068101 /nfs/dbraw/zinc/06/81/01/894068101.db2.gz ADHXVZXRGRJBHG-GFCCVEGCSA-N 1 0 269.345 -1.103 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001507561531 894069361 /nfs/dbraw/zinc/06/93/61/894069361.db2.gz GXVNMWLRUKJKFM-NXEZZACHSA-N 1 0 291.373 -1.727 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001507683324 894071311 /nfs/dbraw/zinc/07/13/11/894071311.db2.gz CMCLZJDZOROEKM-GHMZBOCLSA-N 1 0 284.360 -1.053 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001507629496 894075704 /nfs/dbraw/zinc/07/57/04/894075704.db2.gz ZDOKGMVBZWPOSX-WDEREUQCSA-N 1 0 284.360 -1.182 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001507658028 894075776 /nfs/dbraw/zinc/07/57/76/894075776.db2.gz VQXMIWNAQUGGLO-NSHDSACASA-N 1 0 295.343 -2.034 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001507693531 894076152 /nfs/dbraw/zinc/07/61/52/894076152.db2.gz QQVQOIKLHQFDNF-VHSXEESVSA-N 1 0 270.333 -1.395 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001507629495 894076876 /nfs/dbraw/zinc/07/68/76/894076876.db2.gz ZDOKGMVBZWPOSX-QWRGUYRKSA-N 1 0 284.360 -1.182 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001508181468 894085244 /nfs/dbraw/zinc/08/52/44/894085244.db2.gz ZXNSUQJQHHBYAA-UHFFFAOYSA-N 1 0 267.329 -1.050 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001508183247 894087711 /nfs/dbraw/zinc/08/77/11/894087711.db2.gz IQIZSCBIOIBQJD-LLVKDONJSA-N 1 0 282.344 -1.292 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001511091339 894146018 /nfs/dbraw/zinc/14/60/18/894146018.db2.gz NLALYOMDSMBXNC-QWRGUYRKSA-N 1 0 294.355 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001511091343 894146632 /nfs/dbraw/zinc/14/66/32/894146632.db2.gz NLALYOMDSMBXNC-WDEREUQCSA-N 1 0 294.355 -1.165 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001514680009 894183300 /nfs/dbraw/zinc/18/33/00/894183300.db2.gz HGQOQQVGRCAVJQ-UWVGGRQHSA-N 1 0 282.296 -1.370 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(=O)NCC#N ZINC001520169470 894194947 /nfs/dbraw/zinc/19/49/47/894194947.db2.gz PZWKFGSPXZEAPQ-NXEZZACHSA-N 1 0 265.317 -1.869 20 30 CAEDRO C=C(CO)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001520928337 894196644 /nfs/dbraw/zinc/19/66/44/894196644.db2.gz VOLYPEHVBUCPTQ-WCQYABFASA-N 1 0 270.329 -1.123 20 30 CAEDRO COC(=O)CN(CC#N)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521034662 894197444 /nfs/dbraw/zinc/19/74/44/894197444.db2.gz XQOSWUAAZBRQJF-GHMZBOCLSA-N 1 0 280.328 -1.100 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCN(O)C1=O ZINC001521615340 894210568 /nfs/dbraw/zinc/21/05/68/894210568.db2.gz DFAPFDYUCSPWKO-KXUCPTDWSA-N 1 0 268.317 -1.519 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC001522246946 894215525 /nfs/dbraw/zinc/21/55/25/894215525.db2.gz AUZJEZTUBYUHEU-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC001522246954 894215913 /nfs/dbraw/zinc/21/59/13/894215913.db2.gz AUZJEZTUBYUHEU-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001524062753 894276935 /nfs/dbraw/zinc/27/69/35/894276935.db2.gz WJMDEBCKRHWJFI-RNCFNFMXSA-N 1 0 278.312 -1.296 20 30 CAEDRO C[C@H](CNC(=O)NCC#CCO)N1CC[NH+](C)CC1 ZINC001527775229 894312584 /nfs/dbraw/zinc/31/25/84/894312584.db2.gz OHYIJNRRDMWJAC-GFCCVEGCSA-N 1 0 268.361 -1.083 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCCN(O)C1=O ZINC001528457746 894327461 /nfs/dbraw/zinc/32/74/61/894327461.db2.gz AYCNXHPZUMSCFR-GMTAPVOTSA-N 1 0 282.344 -1.129 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCCN(O)C1=O ZINC001528457747 894327703 /nfs/dbraw/zinc/32/77/03/894327703.db2.gz AYCNXHPZUMSCFR-MXWKQRLJSA-N 1 0 282.344 -1.129 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCCN(O)C1=O ZINC001528457748 894328820 /nfs/dbraw/zinc/32/88/20/894328820.db2.gz AYCNXHPZUMSCFR-OUAUKWLOSA-N 1 0 282.344 -1.129 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001528992612 894343768 /nfs/dbraw/zinc/34/37/68/894343768.db2.gz RUDBSEIZGUBIMD-NEPJUHHUSA-N 1 0 291.351 -1.207 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001528992613 894344174 /nfs/dbraw/zinc/34/41/74/894344174.db2.gz RUDBSEIZGUBIMD-RYUDHWBXSA-N 1 0 291.351 -1.207 20 30 CAEDRO C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)C#CC1CC1 ZINC001533256886 894410891 /nfs/dbraw/zinc/41/08/91/894410891.db2.gz FOQHZDAQDABKDY-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCNC(=O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548636159 894489604 /nfs/dbraw/zinc/48/96/04/894489604.db2.gz SLQOTYITBSDSFD-WDEREUQCSA-N 1 0 264.329 -1.760 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCn1cnc(C#N)n1 ZINC001548702786 894496676 /nfs/dbraw/zinc/49/66/76/894496676.db2.gz GQBYYJPRBFIDEE-MNOVXSKESA-N 1 0 289.343 -1.346 20 30 CAEDRO C#CC[C@H](O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548707815 894498096 /nfs/dbraw/zinc/49/80/96/894498096.db2.gz MQTZWSWTOSJSFI-GRYCIOLGSA-N 1 0 251.330 -1.125 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)Cn1ccnn1 ZINC001556947577 894588825 /nfs/dbraw/zinc/58/88/25/894588825.db2.gz URSHFESOCCKGLZ-JTQLQIEISA-N 1 0 253.306 -1.127 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001556973400 894590977 /nfs/dbraw/zinc/59/09/77/894590977.db2.gz GUCLYRGRVWRMKY-UHFFFAOYSA-N 1 0 268.317 -1.740 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001557692300 894604428 /nfs/dbraw/zinc/60/44/28/894604428.db2.gz SQTQSECYSGYESN-UWVGGRQHSA-N 1 0 282.344 -1.461 20 30 CAEDRO C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](C(=O)[O-])C1 ZINC001604231611 972736609 /nfs/dbraw/zinc/73/66/09/972736609.db2.gz XTFJWQBPMZAFKL-NWDGAFQWSA-N 1 0 295.387 -1.032 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001191771387 781920257 /nfs/dbraw/zinc/92/02/57/781920257.db2.gz MOQJSFLIVQMOQS-HBNTYKKESA-N 1 0 258.318 -1.269 20 30 CAEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191785177 781921066 /nfs/dbraw/zinc/92/10/66/781921066.db2.gz PDQMZIAXAVGGOJ-MGPQQGTHSA-N 1 0 295.383 -1.108 20 30 CAEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191785166 781921103 /nfs/dbraw/zinc/92/11/03/781921103.db2.gz PDQMZIAXAVGGOJ-HZSPNIEDSA-N 1 0 295.383 -1.108 20 30 CAEDRO Cn1c(NC[C@]2(O)CC[N@H+](C)C2)c(C#N)c(=O)n(C)c1=O ZINC000358309369 529801332 /nfs/dbraw/zinc/80/13/32/529801332.db2.gz PQTHHARKLYAYRH-CYBMUJFWSA-N 1 0 293.327 -1.566 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978779 781930685 /nfs/dbraw/zinc/93/06/85/781930685.db2.gz OCKGSKFXLKQWSD-NXEZZACHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)n1cnc(C#N)n1 ZINC000573978948 334982567 /nfs/dbraw/zinc/98/25/67/334982567.db2.gz DKECUQLNNYVLTC-UTLUCORTSA-N 1 0 278.316 -1.156 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC)C1 ZINC001192364234 781939283 /nfs/dbraw/zinc/93/92/83/781939283.db2.gz NUZLPRBDNGKSFT-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1O ZINC001192382206 781941342 /nfs/dbraw/zinc/94/13/42/781941342.db2.gz FAKWSNYWICBAHH-VXGBXAGGSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001192395747 781943452 /nfs/dbraw/zinc/94/34/52/781943452.db2.gz GAFKVELTXRLJGQ-GHMZBOCLSA-N 1 0 285.319 -1.353 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001192396975 781944180 /nfs/dbraw/zinc/94/41/80/781944180.db2.gz SZUCQWQCFMEQJY-IJLUTSLNSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@H]1O ZINC001192397322 781944921 /nfs/dbraw/zinc/94/49/21/781944921.db2.gz WSBPDOIJSUZUTL-IJLUTSLNSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192503467 781946635 /nfs/dbraw/zinc/94/66/35/781946635.db2.gz DYYBOBNGYDNZFJ-JHJVBQTASA-N 1 0 284.356 -1.042 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001192546589 781948384 /nfs/dbraw/zinc/94/83/84/781948384.db2.gz JAAKEDIRNNLZMG-CKYFFXLPSA-N 1 0 258.318 -1.533 20 30 CAEDRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192760991 781953732 /nfs/dbraw/zinc/95/37/32/781953732.db2.gz BMUIPNIKNBGJQO-JHJVBQTASA-N 1 0 284.356 -1.186 20 30 CAEDRO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821206 781955927 /nfs/dbraw/zinc/95/59/27/781955927.db2.gz IOLLATOGYHMYKR-JHJVBQTASA-N 1 0 282.340 -1.432 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001192879105 781958680 /nfs/dbraw/zinc/95/86/80/781958680.db2.gz QZDBVGWEISQMJC-VXGBXAGGSA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001192942726 781959721 /nfs/dbraw/zinc/95/97/21/781959721.db2.gz HHWLSWIRSXZLGE-GMTAPVOTSA-N 1 0 282.344 -1.382 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192844396 781959801 /nfs/dbraw/zinc/95/98/01/781959801.db2.gz RIFJBVNCNZILBN-IJLUTSLNSA-N 1 0 270.329 -1.432 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000490866022 261230222 /nfs/dbraw/zinc/23/02/22/261230222.db2.gz LEKVYYCNUJCRBA-GFCCVEGCSA-N 1 0 251.330 -1.170 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000071150420 372846135 /nfs/dbraw/zinc/84/61/35/372846135.db2.gz DREKKVQJPHKJEQ-UHFFFAOYSA-N 1 0 283.376 -1.165 20 30 CAEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(CO)CO)CC1 ZINC000518559651 372887485 /nfs/dbraw/zinc/88/74/85/372887485.db2.gz DNYDAQNKMHIHIB-CYBMUJFWSA-N 1 0 298.387 -1.378 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037803049 372909694 /nfs/dbraw/zinc/90/96/94/372909694.db2.gz OLRXAUSSCVDSMK-JTQLQIEISA-N 1 0 254.334 -1.220 20 30 CAEDRO C=CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566510942 372933495 /nfs/dbraw/zinc/93/34/95/372933495.db2.gz FCWHSJBUSHDWTC-QWRGUYRKSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246416694 372938516 /nfs/dbraw/zinc/93/85/16/372938516.db2.gz KKGHJPNTIVRPLY-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO CN(CC[NH+](C)C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000080684612 372950167 /nfs/dbraw/zinc/95/01/67/372950167.db2.gz KJSDPJQMBAVQFL-UHFFFAOYSA-N 1 0 265.317 -1.047 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000165047475 372992765 /nfs/dbraw/zinc/99/27/65/372992765.db2.gz WZTHEJLTRBBNQI-SECBINFHSA-N 1 0 256.306 -1.342 20 30 CAEDRO C=C(C)COCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570188869 372991512 /nfs/dbraw/zinc/99/15/12/372991512.db2.gz HZVZINQXQSZECJ-LBPRGKRZSA-N 1 0 298.387 -1.203 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CN(C)CCN1C ZINC000491694600 373024995 /nfs/dbraw/zinc/02/49/95/373024995.db2.gz VVZVROLLJDCKIN-LBPRGKRZSA-N 1 0 252.362 -1.039 20 30 CAEDRO CN1CCO[C@H](CS(=O)(=O)N2CCOC[C@H]2C#N)C1 ZINC000601357970 373034120 /nfs/dbraw/zinc/03/41/20/373034120.db2.gz ZLIPBTBGBOAKTI-MNOVXSKESA-N 1 0 289.357 -1.129 20 30 CAEDRO CC[N@H+](C)C[C@H](O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000566482074 373034640 /nfs/dbraw/zinc/03/46/40/373034640.db2.gz RSGQMFSHGMSEAS-JTQLQIEISA-N 1 0 266.301 -1.269 20 30 CAEDRO CN1CCO[C@H](CS(=O)(=O)N2CCOC[C@@H]2C#N)C1 ZINC000601357971 373034766 /nfs/dbraw/zinc/03/47/66/373034766.db2.gz ZLIPBTBGBOAKTI-QWRGUYRKSA-N 1 0 289.357 -1.129 20 30 CAEDRO CN1CCO[C@@H](CS(=O)(=O)N2CCOC[C@@H]2C#N)C1 ZINC000601357972 373035393 /nfs/dbraw/zinc/03/53/93/373035393.db2.gz ZLIPBTBGBOAKTI-WDEREUQCSA-N 1 0 289.357 -1.129 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000491308894 373017500 /nfs/dbraw/zinc/01/75/00/373017500.db2.gz WTBZOTZSDUJWMW-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO CN1CCN(C(=O)Cn2cnc(C#N)n2)[C@H](C[NH3+])C1 ZINC000563969037 373020214 /nfs/dbraw/zinc/02/02/14/373020214.db2.gz ZCKDLRSEUTZREJ-SECBINFHSA-N 1 0 263.305 -1.749 20 30 CAEDRO CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000563011408 373022009 /nfs/dbraw/zinc/02/20/09/373022009.db2.gz MWEUVKACZOWGTB-NSHDSACASA-N 1 0 292.405 -1.326 20 30 CAEDRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C[C@@H](C)O1 ZINC000581425347 373022083 /nfs/dbraw/zinc/02/20/83/373022083.db2.gz NJBIEFLCOZCYLH-IJLUTSLNSA-N 1 0 284.360 -1.314 20 30 CAEDRO CCS(=O)(=O)NCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591726062 373060261 /nfs/dbraw/zinc/06/02/61/373060261.db2.gz DPGUYXHQBUBDEZ-NSHDSACASA-N 1 0 292.405 -1.278 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592491939 373073956 /nfs/dbraw/zinc/07/39/56/373073956.db2.gz OOFZRBNENQDTEW-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592982633 373087952 /nfs/dbraw/zinc/08/79/52/373087952.db2.gz DPOVSKUGBHMSFA-UHFFFAOYSA-N 1 0 289.405 -1.086 20 30 CAEDRO CCO[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H]1C[NH3+] ZINC000593723878 373093332 /nfs/dbraw/zinc/09/33/32/373093332.db2.gz JPWRRVGLMFMMTR-NXEZZACHSA-N 1 0 283.332 -1.369 20 30 CAEDRO COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)CC#N)CC1 ZINC000594003492 373098925 /nfs/dbraw/zinc/09/89/25/373098925.db2.gz LYQZGACTRCXTJP-CYBMUJFWSA-N 1 0 298.387 -1.017 20 30 CAEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594545422 373102316 /nfs/dbraw/zinc/10/23/16/373102316.db2.gz OZAQXWZEEUVCOK-SDDRHHMPSA-N 1 0 294.355 -1.118 20 30 CAEDRO Cn1cc(C#N)c(=O)n(C[C@@H]2C[NH2+]CCO2)c1=O ZINC000594698541 373102687 /nfs/dbraw/zinc/10/26/87/373102687.db2.gz KWDPCNOIJLUBAV-VIFPVBQESA-N 1 0 250.258 -1.593 20 30 CAEDRO Cn1c(N2CC3CC2(C[NH3+])C3)c(C#N)c(=O)n(C)c1=O ZINC000594698006 373102926 /nfs/dbraw/zinc/10/29/26/373102926.db2.gz GUPMFWXFUYKUSN-UHFFFAOYSA-N 1 0 275.312 -1.117 20 30 CAEDRO C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)n1cnc(C#N)n1 ZINC000597653270 373151513 /nfs/dbraw/zinc/15/15/13/373151513.db2.gz IMNTXXVKQWKFKG-IUCAKERBSA-N 1 0 266.305 -1.251 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599110605 373169906 /nfs/dbraw/zinc/16/99/06/373169906.db2.gz CAOKKTPKJBYHBM-UHFFFAOYSA-N 1 0 264.351 -1.016 20 30 CAEDRO Cn1c(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C#N)c(=O)n(C)c1=O ZINC000596013223 373129154 /nfs/dbraw/zinc/12/91/54/373129154.db2.gz FRLVDCPQCOWDLX-BRPSZJMVSA-N 1 0 261.285 -1.415 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595990535 373129176 /nfs/dbraw/zinc/12/91/76/373129176.db2.gz XFQWEAFZGFRJBR-ZJUUUORDSA-N 1 0 280.328 -1.599 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)[C@H](C[NH3+])C1 ZINC000595991327 373129233 /nfs/dbraw/zinc/12/92/33/373129233.db2.gz RZDMISHLZDUFHY-BXUZGUMPSA-N 1 0 293.371 -1.150 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@@H](C[NH3+])C1 ZINC000595991328 373129571 /nfs/dbraw/zinc/12/95/71/373129571.db2.gz RZDMISHLZDUFHY-FZMZJTMJSA-N 1 0 293.371 -1.150 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@H](C[NH3+])C1 ZINC000595991329 373129591 /nfs/dbraw/zinc/12/95/91/373129591.db2.gz RZDMISHLZDUFHY-RISCZKNCSA-N 1 0 293.371 -1.150 20 30 CAEDRO C=CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595980794 373129665 /nfs/dbraw/zinc/12/96/65/373129665.db2.gz KVCDNVGCCQUHHR-MNOVXSKESA-N 1 0 294.355 -1.209 20 30 CAEDRO Cn1c(N2CC[C@@H](F)[C@H]([NH3+])C2)c(C#N)c(=O)n(C)c1=O ZINC000596019192 373129762 /nfs/dbraw/zinc/12/97/62/373129762.db2.gz GIEJGGZXQJCPQS-RKDXNWHRSA-N 1 0 281.291 -1.169 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)[C@@H](C[NH3+])C1 ZINC000595991330 373130113 /nfs/dbraw/zinc/13/01/13/373130113.db2.gz RZDMISHLZDUFHY-SMDDNHRTSA-N 1 0 293.371 -1.150 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595990532 373130374 /nfs/dbraw/zinc/13/03/74/373130374.db2.gz XFQWEAFZGFRJBR-NXEZZACHSA-N 1 0 280.328 -1.599 20 30 CAEDRO C[NH+](C)[C@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@H]1O ZINC000596598908 373134161 /nfs/dbraw/zinc/13/41/61/373134161.db2.gz NBMGYICQEZAWNJ-IUCAKERBSA-N 1 0 269.305 -2.058 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531366 373178785 /nfs/dbraw/zinc/17/87/85/373178785.db2.gz UVPSLFZPSUSGAR-DCAQKATOSA-N 1 0 285.344 -1.081 20 30 CAEDRO CN(CCC[NH3+])C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601595628 373189064 /nfs/dbraw/zinc/18/90/64/373189064.db2.gz RRXIVIZUPRBSBQ-UHFFFAOYSA-N 1 0 281.360 -1.149 20 30 CAEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601580981 373189152 /nfs/dbraw/zinc/18/91/52/373189152.db2.gz CGDQANCCZYPKIQ-VXGBXAGGSA-N 1 0 293.371 -1.008 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000601585636 373189172 /nfs/dbraw/zinc/18/91/72/373189172.db2.gz XIPGUJZWYRYOQX-LBPRGKRZSA-N 1 0 293.371 -1.006 20 30 CAEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000601582773 373189240 /nfs/dbraw/zinc/18/92/40/373189240.db2.gz NNGJLFIHRUJRCS-GFCCVEGCSA-N 1 0 293.371 -1.135 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601581352 373189384 /nfs/dbraw/zinc/18/93/84/373189384.db2.gz HACBVYHMLBHJIU-UHFFFAOYSA-N 1 0 281.360 -1.149 20 30 CAEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601584944 373189513 /nfs/dbraw/zinc/18/95/13/373189513.db2.gz UDFKJKWXUFZYBK-LBPRGKRZSA-N 1 0 293.371 -1.135 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000601581375 373189693 /nfs/dbraw/zinc/18/96/93/373189693.db2.gz HPYWJYOKXSMBHE-NSHDSACASA-N 1 0 279.344 -1.396 20 30 CAEDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601585088 373189870 /nfs/dbraw/zinc/18/98/70/373189870.db2.gz WFMIYGCAMOZZSF-NSHDSACASA-N 1 0 281.360 -1.150 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[NH2+]1 ZINC000601581513 373189980 /nfs/dbraw/zinc/18/99/80/373189980.db2.gz IAOUKOCSWDPFQH-GFCCVEGCSA-N 1 0 293.371 -1.135 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC000050461700 373238695 /nfs/dbraw/zinc/23/86/95/373238695.db2.gz UVUPNIQNEAFTDR-WDEREUQCSA-N 1 0 266.345 -1.220 20 30 CAEDRO C[NH+](C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336893546 373248823 /nfs/dbraw/zinc/24/88/23/373248823.db2.gz LFZVMHILCBLYGO-VIFPVBQESA-N 1 0 262.335 -1.393 20 30 CAEDRO C[NH+](C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336893545 373249648 /nfs/dbraw/zinc/24/96/48/373249648.db2.gz LFZVMHILCBLYGO-SECBINFHSA-N 1 0 262.335 -1.393 20 30 CAEDRO CC[N@H+](C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336909388 373249968 /nfs/dbraw/zinc/24/99/68/373249968.db2.gz GXTBUSDNXOZPNP-SNVBAGLBSA-N 1 0 276.362 -1.003 20 30 CAEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336951109 373251196 /nfs/dbraw/zinc/25/11/96/373251196.db2.gz UJDNJXPYDRLNPL-QWRGUYRKSA-N 1 0 290.389 -1.021 20 30 CAEDRO CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337084085 373253942 /nfs/dbraw/zinc/25/39/42/373253942.db2.gz CGYWPCKKOZMVOR-JTQLQIEISA-N 1 0 276.362 -1.051 20 30 CAEDRO C=CCN1CC[C@@H](N(C)c2nc(N)[nH+]c(N)n2)C1=O ZINC000624180858 373262253 /nfs/dbraw/zinc/26/22/53/373262253.db2.gz MXTQNNUWTHJXDX-SSDOTTSWSA-N 1 0 263.305 -1.080 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161517371 373494751 /nfs/dbraw/zinc/49/47/51/373494751.db2.gz PFRWPHQGHRSLGA-JTQLQIEISA-N 1 0 278.378 -1.021 20 30 CAEDRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCC#N)CC1 ZINC000066657009 373502547 /nfs/dbraw/zinc/50/25/47/373502547.db2.gz QKDRYTHUISWITA-UHFFFAOYSA-N 1 0 267.333 -1.668 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000292758849 373503204 /nfs/dbraw/zinc/50/32/04/373503204.db2.gz ISSGQPCEUOFTNZ-ZJUUUORDSA-N 1 0 253.302 -1.300 20 30 CAEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC(=O)NCC#N)C1 ZINC000343505456 373510030 /nfs/dbraw/zinc/51/00/30/373510030.db2.gz JEASGCSCEQTACG-SNVBAGLBSA-N 1 0 268.317 -1.148 20 30 CAEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(=O)NCC#N)C1 ZINC000343505445 373510878 /nfs/dbraw/zinc/51/08/78/373510878.db2.gz JEASGCSCEQTACG-JTQLQIEISA-N 1 0 268.317 -1.148 20 30 CAEDRO C[C@H](C[NH+](C)C)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000344897052 373522810 /nfs/dbraw/zinc/52/28/10/373522810.db2.gz FFUYEVZTHGNXLW-NXEZZACHSA-N 1 0 276.362 -1.005 20 30 CAEDRO COCC[N@H+](C)CCCNC(=O)NCC(=O)NCC#N ZINC000345118606 373525787 /nfs/dbraw/zinc/52/57/87/373525787.db2.gz QLENUTWHJIABOE-UHFFFAOYSA-N 1 0 285.348 -1.106 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC000638916501 373484301 /nfs/dbraw/zinc/48/43/01/373484301.db2.gz JRDZSLMDUIPPFW-IUCAKERBSA-N 1 0 292.295 -1.464 20 30 CAEDRO C[N@@H+]1CCCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000331906248 373581790 /nfs/dbraw/zinc/58/17/90/373581790.db2.gz FOYNKIDCUCAEGM-UHFFFAOYSA-N 1 0 253.306 -1.027 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348212338 373544312 /nfs/dbraw/zinc/54/43/12/373544312.db2.gz SEHGPQCMCSHHPW-QPUJVOFHSA-N 1 0 284.316 -1.691 20 30 CAEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000348211449 373545220 /nfs/dbraw/zinc/54/52/20/373545220.db2.gz PUJUIJLBERKIQI-JOYOIKCWSA-N 1 0 253.302 -1.305 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627421195 373623244 /nfs/dbraw/zinc/62/32/44/373623244.db2.gz CXTVAKJACIFXGT-SRVKXCTJSA-N 1 0 297.355 -1.202 20 30 CAEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@@H](C)C1 ZINC000358275821 373615541 /nfs/dbraw/zinc/61/55/41/373615541.db2.gz NUYFSUUAPQOPDA-WDEREUQCSA-N 1 0 297.359 -1.277 20 30 CAEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@H](C)C1 ZINC000358275818 373615646 /nfs/dbraw/zinc/61/56/46/373615646.db2.gz NUYFSUUAPQOPDA-GHMZBOCLSA-N 1 0 297.359 -1.277 20 30 CAEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C(N)=O)cc1 ZINC000228684151 373662561 /nfs/dbraw/zinc/66/25/61/373662561.db2.gz HKWWDLRTGKTZBR-JQWIXIFHSA-N 1 0 279.296 -1.266 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(CCO)C[C@@H](C)O ZINC000336791894 373675803 /nfs/dbraw/zinc/67/58/03/373675803.db2.gz PLPPUHRNZBQNTO-SECBINFHSA-N 1 0 259.306 -1.327 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)[NH2+]C)C1=O ZINC000261871000 373680268 /nfs/dbraw/zinc/68/02/68/373680268.db2.gz ZQEHKSPUAOAMDL-MRVPVSSYSA-N 1 0 282.300 -1.313 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@H]2C)C1=O ZINC000261940162 373683085 /nfs/dbraw/zinc/68/30/85/373683085.db2.gz GNLIMCDMADEBFF-SECBINFHSA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[NH2+]C2)C1=O ZINC000262061281 373684157 /nfs/dbraw/zinc/68/41/57/373684157.db2.gz ZEDXHSXZGIIERJ-VIFPVBQESA-N 1 0 294.311 -1.169 20 30 CAEDRO N#CCNC(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000066530251 373773300 /nfs/dbraw/zinc/77/33/00/373773300.db2.gz SZRSZNKAYNECKE-UHFFFAOYSA-N 1 0 293.371 -1.134 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000515354470 373724197 /nfs/dbraw/zinc/72/41/97/373724197.db2.gz ACVVIFIAMAYKIM-DCAQKATOSA-N 1 0 284.360 -1.007 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000515832053 373725519 /nfs/dbraw/zinc/72/55/19/373725519.db2.gz HQUZTQNHAGHALP-GHMZBOCLSA-N 1 0 282.344 -1.070 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000515832054 373725967 /nfs/dbraw/zinc/72/59/67/373725967.db2.gz HQUZTQNHAGHALP-MNOVXSKESA-N 1 0 282.344 -1.070 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[NH3+])C1=O ZINC000428488141 373730184 /nfs/dbraw/zinc/73/01/84/373730184.db2.gz URBBAIGAZJRCCK-UHFFFAOYSA-N 1 0 268.273 -1.572 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[NH2+]C2)C1=O ZINC000428194505 373730692 /nfs/dbraw/zinc/73/06/92/373730692.db2.gz FRHBXFBKNZYPTE-MRVPVSSYSA-N 1 0 280.284 -1.559 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH3+])C1=O ZINC000428774156 373731121 /nfs/dbraw/zinc/73/11/21/373731121.db2.gz UIZSHNGEUQEHFM-UHFFFAOYSA-N 1 0 254.246 -1.962 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([NH3+])C2)C1=O ZINC000429083446 373732379 /nfs/dbraw/zinc/73/23/79/373732379.db2.gz SKCKALFNWADXRW-QMMMGPOBSA-N 1 0 280.284 -1.477 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)C[NH3+])C1=O ZINC000441612070 373767742 /nfs/dbraw/zinc/76/77/42/373767742.db2.gz KUUAWUBPWNYKKA-QMMMGPOBSA-N 1 0 282.300 -1.326 20 30 CAEDRO COCC[NH2+]CCNS(=O)(=O)N(C)CCC#N ZINC000440833388 373767784 /nfs/dbraw/zinc/76/77/84/373767784.db2.gz OLIPBBAFZUKFIS-UHFFFAOYSA-N 1 0 264.351 -1.098 20 30 CAEDRO C=CCNC(=O)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187458 373845202 /nfs/dbraw/zinc/84/52/02/373845202.db2.gz BYYHHWBOEVDRPJ-SECBINFHSA-N 1 0 256.306 -1.424 20 30 CAEDRO C=CCNC(=O)CNC(=O)NCCOCCC[NH3+] ZINC000627216830 373853041 /nfs/dbraw/zinc/85/30/41/373853041.db2.gz WVEGYVXCQKCUQS-UHFFFAOYSA-N 1 0 258.322 -1.047 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566689613 373950880 /nfs/dbraw/zinc/95/08/80/373950880.db2.gz AYUMWFUWEPPKIG-ZJUUUORDSA-N 1 0 295.343 -1.758 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)NCCC[NH+](CCO)CCO ZINC001193159323 781964731 /nfs/dbraw/zinc/96/47/31/781964731.db2.gz CDYDEGDOADQBTA-SNVBAGLBSA-N 1 0 279.362 -1.505 20 30 CAEDRO C=CCn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1 ZINC000630588891 373915747 /nfs/dbraw/zinc/91/57/47/373915747.db2.gz RACLDUMGBZZFBG-UHFFFAOYSA-N 1 0 286.361 -1.296 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)NCCC[NH+](CCO)CCO ZINC001193159322 781964092 /nfs/dbraw/zinc/96/40/92/781964092.db2.gz CDYDEGDOADQBTA-JTQLQIEISA-N 1 0 279.362 -1.505 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001193165436 781964115 /nfs/dbraw/zinc/96/41/15/781964115.db2.gz FNHHMMZDMWUNLK-IJLUTSLNSA-N 1 0 297.355 -1.678 20 30 CAEDRO C=C(CC)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565728627 373941348 /nfs/dbraw/zinc/94/13/48/373941348.db2.gz QGKVJUUFKYGXAC-MNOVXSKESA-N 1 0 294.355 -1.161 20 30 CAEDRO C=CCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579006236 373998379 /nfs/dbraw/zinc/99/83/79/373998379.db2.gz MVFHXFLZDWUYCM-VHSXEESVSA-N 1 0 252.318 -1.468 20 30 CAEDRO C=CCCOCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579572809 374003149 /nfs/dbraw/zinc/00/31/49/374003149.db2.gz MNULPDVOXPQMOC-LBPRGKRZSA-N 1 0 298.387 -1.203 20 30 CAEDRO C=CCNC(=O)CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000573718943 373982052 /nfs/dbraw/zinc/98/20/52/373982052.db2.gz LMXOKQXSHJYKPK-LBPRGKRZSA-N 1 0 266.301 -1.037 20 30 CAEDRO N#Cc1nccc(N[C@@H](CO)CN2CCOCC2)n1 ZINC000601176475 374060565 /nfs/dbraw/zinc/06/05/65/374060565.db2.gz IWDBJLYARRSIBE-SNVBAGLBSA-N 1 0 263.301 -1.125 20 30 CAEDRO N#Cc1nccc(N[C@H](CO)CN2CCOCC2)n1 ZINC000601176474 374060599 /nfs/dbraw/zinc/06/05/99/374060599.db2.gz IWDBJLYARRSIBE-JTQLQIEISA-N 1 0 263.301 -1.125 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627427456 374122263 /nfs/dbraw/zinc/12/22/63/374122263.db2.gz FSXBSAXWMKFCAI-LLVKDONJSA-N 1 0 285.344 -1.200 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000574650415 335037220 /nfs/dbraw/zinc/03/72/20/335037220.db2.gz YXRNFEXLRQGJJF-UWVGGRQHSA-N 1 0 270.333 -1.395 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193483500 781969859 /nfs/dbraw/zinc/96/98/59/781969859.db2.gz WCVHZKVOOBWSDB-VXGBXAGGSA-N 1 0 297.355 -1.724 20 30 CAEDRO CC[N@H+](CCO)CCNC(=O)NCCn1cnc(C#N)n1 ZINC000357868390 252152074 /nfs/dbraw/zinc/15/20/74/252152074.db2.gz STWDILIPPQRFLD-UHFFFAOYSA-N 1 0 295.347 -1.237 20 30 CAEDRO COCC[N@H+](C)C[C@H](O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000515869592 252254708 /nfs/dbraw/zinc/25/47/08/252254708.db2.gz IFOHLXPUGRRINU-NSHDSACASA-N 1 0 296.327 -1.642 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194081760 781981358 /nfs/dbraw/zinc/98/13/58/781981358.db2.gz WGXQNCOONFATBY-SNVBAGLBSA-N 1 0 273.358 -1.299 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194081759 781982739 /nfs/dbraw/zinc/98/27/39/781982739.db2.gz WGXQNCOONFATBY-JTQLQIEISA-N 1 0 273.358 -1.299 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001195270153 782001942 /nfs/dbraw/zinc/00/19/42/782001942.db2.gz BBXVPXANOZYMHA-IJLUTSLNSA-N 1 0 297.355 -1.514 20 30 CAEDRO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195366611 782007359 /nfs/dbraw/zinc/00/73/59/782007359.db2.gz ORNUOOGSDHTSPG-NXEZZACHSA-N 1 0 280.332 -1.049 20 30 CAEDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000344897059 286818766 /nfs/dbraw/zinc/81/87/66/286818766.db2.gz FFUYEVZTHGNXLW-VHSXEESVSA-N 1 0 276.362 -1.005 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCNS(=O)(=O)NC(C)C ZINC000491632425 409371766 /nfs/dbraw/zinc/37/17/66/409371766.db2.gz OZOFPPVZXXNDQE-UHFFFAOYSA-N 1 0 290.389 -1.452 20 30 CAEDRO CNC(=O)NC(=O)CSc1nnnn1CC[NH+](C)C ZINC000330406326 409423761 /nfs/dbraw/zinc/42/37/61/409423761.db2.gz FSFJJZLXGXXRQU-UHFFFAOYSA-N 1 0 287.349 -1.013 20 30 CAEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCS(N)(=O)=O ZINC000330442967 409424677 /nfs/dbraw/zinc/42/46/77/409424677.db2.gz PWRDIYKOUVYOOQ-QMMMGPOBSA-N 1 0 264.351 -1.127 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC000293928486 409426998 /nfs/dbraw/zinc/42/69/98/409426998.db2.gz HPVRMKRXJISXPN-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000293048234 409427765 /nfs/dbraw/zinc/42/77/65/409427765.db2.gz KHECNDSUESQHFU-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000348211447 409438312 /nfs/dbraw/zinc/43/83/12/409438312.db2.gz PUJUIJLBERKIQI-BXKDBHETSA-N 1 0 253.302 -1.305 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348212340 409439546 /nfs/dbraw/zinc/43/95/46/409439546.db2.gz SEHGPQCMCSHHPW-UFBFGSQYSA-N 1 0 284.316 -1.691 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000519594868 409446788 /nfs/dbraw/zinc/44/67/88/409446788.db2.gz LHPOEQBBMPCDEI-JTQLQIEISA-N 1 0 254.334 -1.268 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286357917 409476920 /nfs/dbraw/zinc/47/69/20/409476920.db2.gz XZQFLDWAKJMPGJ-SKDRFNHKSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000659735105 409474755 /nfs/dbraw/zinc/47/47/55/409474755.db2.gz IAJOHCPGRGZZDF-LLVKDONJSA-N 1 0 285.344 -1.119 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659730541 409567586 /nfs/dbraw/zinc/56/75/86/409567586.db2.gz YCISBMMVVAKYFA-LLVKDONJSA-N 1 0 285.344 -1.200 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659730542 409567984 /nfs/dbraw/zinc/56/79/84/409567984.db2.gz YCISBMMVVAKYFA-NSHDSACASA-N 1 0 285.344 -1.200 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C)CC[NH2+]C2)C1=O ZINC000663010274 409619208 /nfs/dbraw/zinc/61/92/08/409619208.db2.gz IBGMAFDFHPLSIR-ZDUSSCGKSA-N 1 0 294.311 -1.169 20 30 CAEDRO C[NH+](C)C[C@H](CO)NC(=O)CNc1ccc(C#N)cn1 ZINC000597653154 409643893 /nfs/dbraw/zinc/64/38/93/409643893.db2.gz HJMPWRJDTUDSDO-LLVKDONJSA-N 1 0 277.328 -0.596 20 30 CAEDRO C[N@@H+]1CC[C@](O)(CNC(=O)CNc2ccc(C#N)cn2)C1 ZINC000358075485 409649513 /nfs/dbraw/zinc/64/95/13/409649513.db2.gz TVNKKWFHZVGEKC-AWEZNQCLSA-N 1 0 289.339 -0.452 20 30 CAEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718352 782015461 /nfs/dbraw/zinc/01/54/61/782015461.db2.gz VEDIUXSCRLNWSB-IVZWLZJFSA-N 1 0 255.318 -1.012 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783346 782017553 /nfs/dbraw/zinc/01/75/53/782017553.db2.gz JNCVFBGWZJXPMA-GHMZBOCLSA-N 1 0 297.355 -1.384 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195776205 782016560 /nfs/dbraw/zinc/01/65/60/782016560.db2.gz YZEQBAVJFPVYRM-NXEZZACHSA-N 1 0 267.329 -1.011 20 30 CAEDRO C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850544 782019310 /nfs/dbraw/zinc/01/93/10/782019310.db2.gz KJLREQXIKAMOOW-VXGBXAGGSA-N 1 0 296.371 -2.151 20 30 CAEDRO C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850411 782019037 /nfs/dbraw/zinc/01/90/37/782019037.db2.gz JLKJXCZEAANPMN-VXGBXAGGSA-N 1 0 298.387 -1.598 20 30 CAEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860530 782019684 /nfs/dbraw/zinc/01/96/84/782019684.db2.gz YPDFZAWTYCVSRR-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CN1CC(=O)N(C)C1=O ZINC001273709939 782020962 /nfs/dbraw/zinc/02/09/62/782020962.db2.gz CPHVOALAYMIRTG-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C=CCNC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031486 174025764 /nfs/dbraw/zinc/02/57/64/174025764.db2.gz MWNCIPVQXIMDQS-UHFFFAOYSA-N 1 0 254.334 -1.348 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001196011466 782022062 /nfs/dbraw/zinc/02/20/62/782022062.db2.gz ATRANZGPDBRYHG-MXWKQRLJSA-N 1 0 258.318 -1.005 20 30 CAEDRO CS(=O)(=O)NCCNC(=[NH2+])N1CCOCC1 ZINC000104161503 227925997 /nfs/dbraw/zinc/92/59/97/227925997.db2.gz DKFFFAOJXSSBEV-UHFFFAOYSA-N 1 0 250.324 -1.818 20 30 CAEDRO Cn1nnc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000330208773 228066668 /nfs/dbraw/zinc/06/66/68/228066668.db2.gz BHLGZLVNECULJF-VIFPVBQESA-N 1 0 283.336 -1.114 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196093998 782026505 /nfs/dbraw/zinc/02/65/05/782026505.db2.gz OLAMUOMAFWIUEM-DTORHVGOSA-N 1 0 266.301 -2.356 20 30 CAEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001196094880 782027265 /nfs/dbraw/zinc/02/72/65/782027265.db2.gz SNDGVLVKXIIZGE-KXUCPTDWSA-N 1 0 280.328 -1.708 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887647 260007654 /nfs/dbraw/zinc/00/76/54/260007654.db2.gz KBHHPMIOGYUBKU-ZJUUUORDSA-N 1 0 273.358 -1.252 20 30 CAEDRO CN1CCO[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 ZINC000408059724 260205476 /nfs/dbraw/zinc/20/54/76/260205476.db2.gz BDWYTUNBVAYTQF-NSHDSACASA-N 1 0 280.328 -1.099 20 30 CAEDRO N#Cc1cccnc1C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001196564727 782037034 /nfs/dbraw/zinc/03/70/34/782037034.db2.gz VORHQEHRUJFVNM-VWYCJHECSA-N 1 0 273.300 -1.914 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000491120125 261336516 /nfs/dbraw/zinc/33/65/16/261336516.db2.gz LIJOMLVCPUVRSK-SNVBAGLBSA-N 1 0 273.358 -1.121 20 30 CAEDRO COCCNC(=[NH2+])NCCn1cc(C(=O)OC)nn1 ZINC000284127694 263085939 /nfs/dbraw/zinc/08/59/39/263085939.db2.gz UHCKBBZOGXVXKO-UHFFFAOYSA-N 1 0 270.293 -1.385 20 30 CAEDRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000330499027 263959020 /nfs/dbraw/zinc/95/90/20/263959020.db2.gz FWJXMYKLQFOFFC-VIFPVBQESA-N 1 0 258.322 -1.043 20 30 CAEDRO C=C[C@H](CO)Nc1nc(NC)[nH+]c(N[C@H](C=C)CO)n1 ZINC000357588776 266332172 /nfs/dbraw/zinc/33/21/72/266332172.db2.gz ATJYWAKMFLBGSZ-RKDXNWHRSA-N 1 0 280.332 -1.903 20 30 CAEDRO COCCN(CC[NH+](C)C)C(=O)NCC(=O)NCC#N ZINC000358281726 266448029 /nfs/dbraw/zinc/44/80/29/266448029.db2.gz VIMWRSFFKLYHQT-UHFFFAOYSA-N 1 0 285.348 -1.154 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197153794 782048962 /nfs/dbraw/zinc/04/89/62/782048962.db2.gz BLKDNHJVFNTESU-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO COC[C@](C)([NH3+])CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000265052684 277607997 /nfs/dbraw/zinc/60/79/97/277607997.db2.gz QGRGGPGAOXCBCL-GFCCVEGCSA-N 1 0 281.316 -1.269 20 30 CAEDRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001197783014 782059571 /nfs/dbraw/zinc/05/95/71/782059571.db2.gz MNYJYGNAOHCCKP-GHMZBOCLSA-N 1 0 270.333 -1.751 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198466236 782065439 /nfs/dbraw/zinc/06/54/39/782065439.db2.gz JYBLGVYDDDRAED-RKDXNWHRSA-N 1 0 256.306 -1.608 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489218 782068477 /nfs/dbraw/zinc/06/84/77/782068477.db2.gz BBZMMKZHLKAPDU-NXEZZACHSA-N 1 0 270.333 -1.218 20 30 CAEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198652720 782069440 /nfs/dbraw/zinc/06/94/40/782069440.db2.gz ACCDAZNKLMIIAT-BFHYXJOUSA-N 1 0 295.383 -1.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CNC(C)=O)CC1 ZINC001199138857 782074111 /nfs/dbraw/zinc/07/41/11/782074111.db2.gz WWNTUPHDUKCZNC-UHFFFAOYSA-N 1 0 294.355 -1.548 20 30 CAEDRO CC(=O)NCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001199130436 782074871 /nfs/dbraw/zinc/07/48/71/782074871.db2.gz MIPVTSLQKHQBJN-UHFFFAOYSA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCOC[C@H](O)CNC(=[NH2+])N1CCN(C)CC1 ZINC001251887453 782082941 /nfs/dbraw/zinc/08/29/41/782082941.db2.gz DBQVFLZUMYDFCL-LLVKDONJSA-N 1 0 254.334 -1.231 20 30 CAEDRO COCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001199591011 782083659 /nfs/dbraw/zinc/08/36/59/782083659.db2.gz LVULJLNMNGNAOW-NSHDSACASA-N 1 0 298.343 -1.520 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199274005 782077048 /nfs/dbraw/zinc/07/70/48/782077048.db2.gz HJPWQCBWVXUQMO-UHFFFAOYSA-N 1 0 296.331 -2.125 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199257049 782077716 /nfs/dbraw/zinc/07/77/16/782077716.db2.gz PQRGVMYQWXRMIG-UHFFFAOYSA-N 1 0 295.343 -2.015 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CCN(CC(N)=O)CC2)CC1 ZINC000490829889 327664805 /nfs/dbraw/zinc/66/48/05/327664805.db2.gz GXMNTOMTEFIXAW-UHFFFAOYSA-N 1 0 292.383 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(C)=O)CCCO1 ZINC001199600255 782084909 /nfs/dbraw/zinc/08/49/09/782084909.db2.gz HSYCUVQGTQEQPN-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001199600015 782084987 /nfs/dbraw/zinc/08/49/87/782084987.db2.gz FTVDUXXGUJDHNX-LLVKDONJSA-N 1 0 268.317 -1.147 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199785535 782087097 /nfs/dbraw/zinc/08/70/97/782087097.db2.gz AETBWIOVHXGNRU-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199809270 782087116 /nfs/dbraw/zinc/08/71/16/782087116.db2.gz BLDPQYIOSXCLNS-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199809269 782087263 /nfs/dbraw/zinc/08/72/63/782087263.db2.gz BLDPQYIOSXCLNS-LLVKDONJSA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199809740 782088187 /nfs/dbraw/zinc/08/81/87/782088187.db2.gz FURIFTTUCRTGJY-SNVBAGLBSA-N 1 0 268.317 -1.505 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199809735 782088216 /nfs/dbraw/zinc/08/82/16/782088216.db2.gz FURIFTTUCRTGJY-JTQLQIEISA-N 1 0 268.317 -1.505 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200154555 782091891 /nfs/dbraw/zinc/09/18/91/782091891.db2.gz MVZXEJMLFSCVDU-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200116651 782092952 /nfs/dbraw/zinc/09/29/52/782092952.db2.gz ZJMCCJRMIJNOJM-VHSXEESVSA-N 1 0 268.317 -1.162 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000165047608 328436998 /nfs/dbraw/zinc/43/69/98/328436998.db2.gz WZTHEJLTRBBNQI-VIFPVBQESA-N 1 0 256.306 -1.342 20 30 CAEDRO CNC(=O)[C@H]1CCCN1C(=O)CNC(NC)=[NH+]C ZINC000262293494 330004641 /nfs/dbraw/zinc/00/46/41/330004641.db2.gz HXTUFKMVJGTLMJ-MRVPVSSYSA-N 1 0 255.322 -1.482 20 30 CAEDRO C=C(CC)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565728629 327001578 /nfs/dbraw/zinc/00/15/78/327001578.db2.gz QGKVJUUFKYGXAC-WDEREUQCSA-N 1 0 294.355 -1.161 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043709966 327262868 /nfs/dbraw/zinc/26/28/68/327262868.db2.gz MJGXCBVTSVHIKW-GFCCVEGCSA-N 1 0 296.371 -1.579 20 30 CAEDRO C[NH+]=C(NCCn1cncn1)NCC(=O)N(C)C ZINC000261807297 329984528 /nfs/dbraw/zinc/98/45/28/329984528.db2.gz JJMUVSVOPWQYAN-UHFFFAOYSA-N 1 0 253.310 -1.469 20 30 CAEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CCO[C@H](COC)C1 ZINC000261949669 329990610 /nfs/dbraw/zinc/99/06/10/329990610.db2.gz NRQSDDAHCNXRNF-JTQLQIEISA-N 1 0 293.389 -1.046 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261961394 329991465 /nfs/dbraw/zinc/99/14/65/329991465.db2.gz KHTLRADIBYFFQW-UHFFFAOYSA-N 1 0 290.389 -1.183 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]([NH3+])C2CC2)C1=O ZINC000261976327 329993293 /nfs/dbraw/zinc/99/32/93/329993293.db2.gz VKOSXFBLMOFQJH-VIFPVBQESA-N 1 0 294.311 -1.183 20 30 CAEDRO CN(C)C(=O)CNC(NCC(=O)N(C)C)=[NH+]C1CC1 ZINC000262235530 330002307 /nfs/dbraw/zinc/00/23/07/330002307.db2.gz NTXOSWIONOATFN-UHFFFAOYSA-N 1 0 269.349 -1.140 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCN2C(=O)CC[C@@H]2C1 ZINC000262249338 330002708 /nfs/dbraw/zinc/00/27/08/330002708.db2.gz BPDBUNIBQZEONB-SNVBAGLBSA-N 1 0 281.360 -1.043 20 30 CAEDRO C[C@H]1CN(C(=[NH2+])NCCS(=O)(=O)N(C)C)CCO1 ZINC000262256070 330002859 /nfs/dbraw/zinc/00/28/59/330002859.db2.gz CTAHQMOAPXMSDI-VIFPVBQESA-N 1 0 278.378 -1.087 20 30 CAEDRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(NC)=[NH+]C ZINC000262293495 330004742 /nfs/dbraw/zinc/00/47/42/330004742.db2.gz HXTUFKMVJGTLMJ-QMMMGPOBSA-N 1 0 255.322 -1.482 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCC(=O)N(C)C1 ZINC000262354069 330007571 /nfs/dbraw/zinc/00/75/71/330007571.db2.gz ZKORYJNTAZUPQL-VIFPVBQESA-N 1 0 269.349 -1.140 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[NH2+]CC2)C1=O ZINC000262485492 330008013 /nfs/dbraw/zinc/00/80/13/330008013.db2.gz XHWLJFWLUYHMJQ-UHFFFAOYSA-N 1 0 294.311 -1.215 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]CC2)C1=O ZINC000262473054 330008081 /nfs/dbraw/zinc/00/80/81/330008081.db2.gz KWUSTSXKMKBJNW-UHFFFAOYSA-N 1 0 280.284 -1.605 20 30 CAEDRO [NH2+]=C(NCCN1CCNC(=O)C1)N1CCSCC1 ZINC000262284030 330008158 /nfs/dbraw/zinc/00/81/58/330008158.db2.gz XEUCOXXFHJUEBO-UHFFFAOYSA-N 1 0 271.390 -1.218 20 30 CAEDRO COCCNC(=O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262443850 330013311 /nfs/dbraw/zinc/01/33/11/330013311.db2.gz IIKDXJXFZKHVFN-VIFPVBQESA-N 1 0 258.322 -1.216 20 30 CAEDRO CCS(=O)(=O)NCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262447655 330013718 /nfs/dbraw/zinc/01/37/18/330013718.db2.gz JEGGKSKXWHFCKA-VIFPVBQESA-N 1 0 278.378 -1.039 20 30 CAEDRO C[C@@H]1CN(C(=[NH2+])NCCN2CCNC(=O)C2)CCO1 ZINC000262457157 330014508 /nfs/dbraw/zinc/01/45/08/330014508.db2.gz LLHHBLUKTLHAKC-SNVBAGLBSA-N 1 0 269.349 -1.546 20 30 CAEDRO NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)O1 ZINC000262461169 330014731 /nfs/dbraw/zinc/01/47/31/330014731.db2.gz XNMMWQZIZJECOY-IUCAKERBSA-N 1 0 256.306 -1.334 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)C[NH3+])C1=O ZINC000262597581 330018015 /nfs/dbraw/zinc/01/80/15/330018015.db2.gz LNDBIVVROWJXED-QMMMGPOBSA-N 1 0 282.300 -1.231 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH2+]CC)C1=O ZINC000262569279 330018026 /nfs/dbraw/zinc/01/80/26/330018026.db2.gz GBFJISONLSKCPP-UHFFFAOYSA-N 1 0 282.300 -1.311 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C[NH3+])C2CC2)C1=O ZINC000262589317 330018060 /nfs/dbraw/zinc/01/80/60/330018060.db2.gz RIGMXDDPUMKZBO-VIFPVBQESA-N 1 0 294.311 -1.183 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H](C)[NH3+])C1=O ZINC000262536080 330018148 /nfs/dbraw/zinc/01/81/48/330018148.db2.gz NZACCVTZXUFRHE-MRVPVSSYSA-N 1 0 282.300 -1.183 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+][C@@H](C)C2)C1=O ZINC000262607332 330022591 /nfs/dbraw/zinc/02/25/91/330022591.db2.gz UGJLESXEIKQSOD-VIFPVBQESA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CC[NH2+]C2)C1=O ZINC000262636518 330022612 /nfs/dbraw/zinc/02/26/12/330022612.db2.gz PVUSBPIXJDAVCU-SECBINFHSA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C[NH3+])C1=O ZINC000262658650 330022683 /nfs/dbraw/zinc/02/26/83/330022683.db2.gz YCBFEIRHNDWUBZ-VIFPVBQESA-N 1 0 294.311 -1.087 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[NH2+]C)C1=O ZINC000263229134 330048790 /nfs/dbraw/zinc/04/87/90/330048790.db2.gz HOFKMAJMJJEVHS-UHFFFAOYSA-N 1 0 282.300 -1.359 20 30 CAEDRO CC(C)NS(=O)(=O)NCCNC(=[NH2+])N1CCOCC1 ZINC000263266010 330051113 /nfs/dbraw/zinc/05/11/13/330051113.db2.gz NTPWZBXLYWNLGF-UHFFFAOYSA-N 1 0 293.393 -1.534 20 30 CAEDRO C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)O)CC1 ZINC000270778388 330076902 /nfs/dbraw/zinc/07/69/02/330076902.db2.gz JIJJWVSHQRVART-NSHDSACASA-N 1 0 267.329 -1.349 20 30 CAEDRO CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC[NH2+]1 ZINC000423274012 330184672 /nfs/dbraw/zinc/18/46/72/330184672.db2.gz LIMUQRHHCJGJCH-SNVBAGLBSA-N 1 0 280.328 -1.052 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)[NH2+]1 ZINC000423273019 330184809 /nfs/dbraw/zinc/18/48/09/330184809.db2.gz KDYAXEFLIYPSJO-MXWKQRLJSA-N 1 0 280.328 -1.054 20 30 CAEDRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424170437 330310835 /nfs/dbraw/zinc/31/08/35/330310835.db2.gz AZEMFDODVZPHFI-VHSXEESVSA-N 1 0 296.327 -1.102 20 30 CAEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000424523517 330364584 /nfs/dbraw/zinc/36/45/84/330364584.db2.gz OKSLWINQAKUAIO-NWDGAFQWSA-N 1 0 293.371 -1.184 20 30 CAEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000424543890 330372671 /nfs/dbraw/zinc/37/26/71/330372671.db2.gz KHGWJSKWMZDBRC-AXFHLTTASA-N 1 0 280.328 -1.019 20 30 CAEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000424543891 330372715 /nfs/dbraw/zinc/37/27/15/330372715.db2.gz KHGWJSKWMZDBRC-HBNTYKKESA-N 1 0 280.328 -1.019 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)nn1 ZINC000424546716 330373372 /nfs/dbraw/zinc/37/33/72/330373372.db2.gz NNOPEDSJJPRRNC-SNVBAGLBSA-N 1 0 292.343 -1.099 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)nn1 ZINC000424546714 330373410 /nfs/dbraw/zinc/37/34/10/330373410.db2.gz NNOPEDSJJPRRNC-JTQLQIEISA-N 1 0 292.343 -1.099 20 30 CAEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000424551287 330374297 /nfs/dbraw/zinc/37/42/97/330374297.db2.gz UZLLJPUELTZZDV-VHSXEESVSA-N 1 0 268.317 -1.426 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)nn1 ZINC000424551641 330374373 /nfs/dbraw/zinc/37/43/73/330374373.db2.gz WOAWURZCOGOMHL-GXSJLCMTSA-N 1 0 292.343 -1.114 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)nn1 ZINC000424551642 330374378 /nfs/dbraw/zinc/37/43/78/330374378.db2.gz WOAWURZCOGOMHL-KOLCDFICSA-N 1 0 292.343 -1.114 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)nn1 ZINC000424551643 330374382 /nfs/dbraw/zinc/37/43/82/330374382.db2.gz WOAWURZCOGOMHL-MWLCHTKSSA-N 1 0 292.343 -1.114 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)nn1 ZINC000424551644 330374440 /nfs/dbraw/zinc/37/44/40/330374440.db2.gz WOAWURZCOGOMHL-ONGXEEELSA-N 1 0 292.343 -1.114 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000424553095 330374497 /nfs/dbraw/zinc/37/44/97/330374497.db2.gz YWLDTIIWVRFDPD-SRVKXCTJSA-N 1 0 297.355 -1.202 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000424552709 330374511 /nfs/dbraw/zinc/37/45/11/330374511.db2.gz YBQJHTUGQRQESS-SRVKXCTJSA-N 1 0 297.355 -1.120 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000515354471 330475867 /nfs/dbraw/zinc/47/58/67/330475867.db2.gz ACVVIFIAMAYKIM-VWYCJHECSA-N 1 0 284.360 -1.007 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)C[NH2+]C)C1=O ZINC000429240971 330540851 /nfs/dbraw/zinc/54/08/51/330540851.db2.gz KVVYEVIFYXZJEG-SECBINFHSA-N 1 0 296.327 -1.065 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000440332576 330747629 /nfs/dbraw/zinc/74/76/29/330747629.db2.gz AUBUXXSBFRVKGF-UHFFFAOYSA-N 1 0 275.378 -1.429 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000490713476 332107211 /nfs/dbraw/zinc/10/72/11/332107211.db2.gz KIDPXHJYKVFZKS-KGLIPLIRSA-N 1 0 295.383 -1.155 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000490713479 332107277 /nfs/dbraw/zinc/10/72/77/332107277.db2.gz KIDPXHJYKVFZKS-UONOGXRCSA-N 1 0 295.383 -1.155 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)NC)CC1 ZINC000490714751 332107677 /nfs/dbraw/zinc/10/76/77/332107677.db2.gz QUINOHXCEIIMAY-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)CO)CC2)CC1 ZINC000490892640 332125799 /nfs/dbraw/zinc/12/57/99/332125799.db2.gz NQMUXVILULBCKK-UHFFFAOYSA-N 1 0 293.367 -1.005 20 30 CAEDRO C#CCNc1nc(NCCOC)[nH+]c(NCCOC)n1 ZINC000491125549 332153460 /nfs/dbraw/zinc/15/34/60/332153460.db2.gz FOTUBIJRDDLRNS-UHFFFAOYSA-N 1 0 280.332 -1.701 20 30 CAEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000491154637 332157720 /nfs/dbraw/zinc/15/77/20/332157720.db2.gz KWFXBEKSFJWNBH-CYBMUJFWSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000491166504 332160159 /nfs/dbraw/zinc/16/01/59/332160159.db2.gz RXDQFFXYCWKGPD-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+](C)CCC(N)=O)CC1 ZINC000491210428 332166873 /nfs/dbraw/zinc/16/68/73/332166873.db2.gz UEDIQNOMCMJOQA-UHFFFAOYSA-N 1 0 266.345 -1.429 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000491454184 332215170 /nfs/dbraw/zinc/21/51/70/332215170.db2.gz WQFCADRDOTVIAN-UWVGGRQHSA-N 1 0 253.302 -1.252 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 ZINC000491454185 332215188 /nfs/dbraw/zinc/21/51/88/332215188.db2.gz WQFCADRDOTVIAN-VHSXEESVSA-N 1 0 253.302 -1.252 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([NH2+]CCN2CCOCC2)C1=O ZINC000491486750 332221232 /nfs/dbraw/zinc/22/12/32/332221232.db2.gz YAMDVXKPTQGGAS-LLVKDONJSA-N 1 0 265.313 -1.331 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000491615815 332243246 /nfs/dbraw/zinc/24/32/46/332243246.db2.gz GXTJAFVTGMFQCM-LLVKDONJSA-N 1 0 280.328 -1.538 20 30 CAEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000491621448 332246698 /nfs/dbraw/zinc/24/66/98/332246698.db2.gz GHJWKIVALSOWKW-WCBMZHEXSA-N 1 0 254.246 -1.264 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)C(=C)C[NH+](C)C)CC1 ZINC000491655825 332267774 /nfs/dbraw/zinc/26/77/74/332267774.db2.gz ARQBMOPETGMFNT-UHFFFAOYSA-N 1 0 292.383 -1.002 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CN1CCOCC1 ZINC000491660836 332270874 /nfs/dbraw/zinc/27/08/74/332270874.db2.gz OQQCBSDPBJTYBW-GFCCVEGCSA-N 1 0 269.345 -1.591 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000491665934 332274399 /nfs/dbraw/zinc/27/43/99/332274399.db2.gz SIXWDEXXEXWQMU-RYUDHWBXSA-N 1 0 266.345 -1.066 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000491670072 332277242 /nfs/dbraw/zinc/27/72/42/332277242.db2.gz CZLULDSNVYLPBA-MRVPVSSYSA-N 1 0 252.274 -1.654 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000491675302 332280759 /nfs/dbraw/zinc/28/07/59/332280759.db2.gz LWLQDOJRLPIHAW-IJLUTSLNSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000491675311 332280820 /nfs/dbraw/zinc/28/08/20/332280820.db2.gz LWLQDOJRLPIHAW-TUAOUCFPSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000491675307 332280964 /nfs/dbraw/zinc/28/09/64/332280964.db2.gz LWLQDOJRLPIHAW-QJPTWQEYSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)CC1 ZINC000491705176 332298417 /nfs/dbraw/zinc/29/84/17/332298417.db2.gz IQADDCANIIJTJS-TZMCWYRMSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CS(=O)(=O)N(C)C ZINC000491742371 332320940 /nfs/dbraw/zinc/32/09/40/332320940.db2.gz GPXRNQVCYSABSD-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000491748551 332325931 /nfs/dbraw/zinc/32/59/31/332325931.db2.gz OVAIAIXIBXWMPU-OAHLLOKOSA-N 1 0 292.383 -1.039 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000491752755 332328296 /nfs/dbraw/zinc/32/82/96/332328296.db2.gz ZDQOKKXVGDMINA-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000491795704 332354885 /nfs/dbraw/zinc/35/48/85/332354885.db2.gz WPYIBBIUXDDOJE-UHFFFAOYSA-N 1 0 263.301 -1.131 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200480098 782095629 /nfs/dbraw/zinc/09/56/29/782095629.db2.gz WNWNTCYBUVBKTR-NWDGAFQWSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200480093 782095884 /nfs/dbraw/zinc/09/58/84/782095884.db2.gz WNWNTCYBUVBKTR-NEPJUHHUSA-N 1 0 297.355 -1.283 20 30 CAEDRO C[NH+](C)CCN1C[C@@H](C(=O)NCC#CCO)CC1=O ZINC000549715449 334202485 /nfs/dbraw/zinc/20/24/85/334202485.db2.gz LYIJKPSIQAFMHZ-NSHDSACASA-N 1 0 267.329 -1.492 20 30 CAEDRO CCN1CCOC[C@H]1C(=O)NCCn1cnc(C#N)n1 ZINC000553522990 334390059 /nfs/dbraw/zinc/39/00/59/334390059.db2.gz JLWDTGUOJHKLEU-JTQLQIEISA-N 1 0 278.316 -1.013 20 30 CAEDRO C=CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566510941 334653562 /nfs/dbraw/zinc/65/35/62/334653562.db2.gz FCWHSJBUSHDWTC-MNOVXSKESA-N 1 0 294.355 -1.161 20 30 CAEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578359358 335619549 /nfs/dbraw/zinc/61/95/49/335619549.db2.gz WGVYMBSZDPHHNH-GUBZILKMSA-N 1 0 268.317 -1.021 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001201148074 782100399 /nfs/dbraw/zinc/10/03/99/782100399.db2.gz WGAHSDOEKZQBJG-RYUDHWBXSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCCO1 ZINC001201148073 782100586 /nfs/dbraw/zinc/10/05/86/782100586.db2.gz WGAHSDOEKZQBJG-NWDGAFQWSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201188191 782101943 /nfs/dbraw/zinc/10/19/43/782101943.db2.gz YQCIMXKFNYOBEC-SNVBAGLBSA-N 1 0 278.316 -1.336 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269432 782102956 /nfs/dbraw/zinc/10/29/56/782102956.db2.gz OPBASOCIMFHWAQ-WDEREUQCSA-N 1 0 280.328 -1.492 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269430 782103205 /nfs/dbraw/zinc/10/32/05/782103205.db2.gz OPBASOCIMFHWAQ-MNOVXSKESA-N 1 0 280.328 -1.492 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269429 782103438 /nfs/dbraw/zinc/10/34/38/782103438.db2.gz OPBASOCIMFHWAQ-GHMZBOCLSA-N 1 0 280.328 -1.492 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201294353 782103457 /nfs/dbraw/zinc/10/34/57/782103457.db2.gz XNYMXBQDKGLYDU-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201293914 782103731 /nfs/dbraw/zinc/10/37/31/782103731.db2.gz OKDXJODGFDBYOT-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325200 782106751 /nfs/dbraw/zinc/10/67/51/782106751.db2.gz KLHVMMSNEMPONR-UWVGGRQHSA-N 1 0 292.339 -1.762 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520705 782097165 /nfs/dbraw/zinc/09/71/65/782097165.db2.gz XVUQHTRWOGKQPM-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO CC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001273847591 782097484 /nfs/dbraw/zinc/09/74/84/782097484.db2.gz AZLMDBJJTDVTHF-LBPRGKRZSA-N 1 0 268.317 -1.411 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001273871490 782098177 /nfs/dbraw/zinc/09/81/77/782098177.db2.gz SPBVEJIGXJXNNJ-BVBSBALXSA-N 1 0 296.327 -1.696 20 30 CAEDRO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001273867913 782098244 /nfs/dbraw/zinc/09/82/44/782098244.db2.gz XJZWNOCPGNUOBW-CYBMUJFWSA-N 1 0 267.329 -1.172 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1COCCO1 ZINC001273871491 782098722 /nfs/dbraw/zinc/09/87/22/782098722.db2.gz SPBVEJIGXJXNNJ-FMBMQGQPSA-N 1 0 296.327 -1.696 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001273860293 782098771 /nfs/dbraw/zinc/09/87/71/782098771.db2.gz DTHPKLWKXGYJKC-MVZIDQBPSA-N 1 0 295.339 -1.587 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202273160 782111830 /nfs/dbraw/zinc/11/18/30/782111830.db2.gz KGMXGUGRGLYKDV-VIFPVBQESA-N 1 0 280.328 -1.810 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202273778 782111883 /nfs/dbraw/zinc/11/18/83/782111883.db2.gz STHGVCKRTACCOU-VIFPVBQESA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC(N)=O ZINC001153467279 782116381 /nfs/dbraw/zinc/11/63/81/782116381.db2.gz KMRYUXGUXNWOHT-JTQLQIEISA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)COC ZINC001114365734 782118345 /nfs/dbraw/zinc/11/83/45/782118345.db2.gz CSIYYGYRFKUOCQ-YABSGUDNSA-N 1 0 279.340 -1.229 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)[C@H](C)NC(N)=O)CCOCC1 ZINC001273969242 782117526 /nfs/dbraw/zinc/11/75/26/782117526.db2.gz QEYFEPGYOZSICB-JTQLQIEISA-N 1 0 282.344 -1.069 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336361 782117564 /nfs/dbraw/zinc/11/75/64/782117564.db2.gz NHFNWCIDWNYNSH-IMRBUKKESA-N 1 0 289.339 -1.026 20 30 CAEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114378198 782119310 /nfs/dbraw/zinc/11/93/10/782119310.db2.gz DHAYKEPTNXEVNN-IAZYJMLFSA-N 1 0 264.329 -1.015 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001154006185 782125229 /nfs/dbraw/zinc/12/52/29/782125229.db2.gz HOEXFWIRLOWBAY-LLVKDONJSA-N 1 0 291.355 -1.021 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203327634 782125361 /nfs/dbraw/zinc/12/53/61/782125361.db2.gz YNDIUWMZDIUFMS-NXEZZACHSA-N 1 0 294.355 -1.209 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203327638 782126269 /nfs/dbraw/zinc/12/62/69/782126269.db2.gz YNDIUWMZDIUFMS-UWVGGRQHSA-N 1 0 294.355 -1.209 20 30 CAEDRO C#CC1(O)CN(C(=O)NCCOCC[NH+](C)C)C1 ZINC000894367811 582113977 /nfs/dbraw/zinc/11/39/77/582113977.db2.gz VXRJAHINICPFIZ-UHFFFAOYSA-N 1 0 255.318 -1.046 20 30 CAEDRO CC#CC[NH2+]C/C=C\CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001274038627 782130626 /nfs/dbraw/zinc/13/06/26/782130626.db2.gz WTWBQBSXAAHKHU-PLNGDYQASA-N 1 0 290.327 -1.338 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CCn1ncn(C)c1=O ZINC001274229475 782140673 /nfs/dbraw/zinc/14/06/73/782140673.db2.gz XWATUZJDRLZUGB-SNAWJCMRSA-N 1 0 277.328 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CN1CCCC1=O ZINC001154494848 782141094 /nfs/dbraw/zinc/14/10/94/782141094.db2.gz VLRPEZXQNVNGHS-UHFFFAOYSA-N 1 0 295.343 -1.656 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC=CCNC(=O)c1[nH]nnc1C ZINC001274253461 782142642 /nfs/dbraw/zinc/14/26/42/782142642.db2.gz NCMUQJXUHLEYNX-PLNGDYQASA-N 1 0 290.327 -1.262 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)CNC(=O)NC)CC1 ZINC001274521799 782149309 /nfs/dbraw/zinc/14/93/09/782149309.db2.gz XKJWSIUIDNLHCI-UHFFFAOYSA-N 1 0 282.344 -1.508 20 30 CAEDRO C#CC[C@@H](CO)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000717802927 782149586 /nfs/dbraw/zinc/14/95/86/782149586.db2.gz SAIHLMDTMAVOJH-JTQLQIEISA-N 1 0 251.286 -1.442 20 30 CAEDRO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564075 782151764 /nfs/dbraw/zinc/15/17/64/782151764.db2.gz CTQHFCBSAFBTMQ-GXTWGEPZSA-N 1 0 282.340 -1.476 20 30 CAEDRO C#CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274568607 782151095 /nfs/dbraw/zinc/15/10/95/782151095.db2.gz WKZARESVDHTKCQ-SMDDNHRTSA-N 1 0 280.324 -1.186 20 30 CAEDRO C#CCN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274565610 782151342 /nfs/dbraw/zinc/15/13/42/782151342.db2.gz KQXLNUKIKQVNOV-AAEUAGOBSA-N 1 0 268.313 -1.724 20 30 CAEDRO C#CCN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274564402 782151562 /nfs/dbraw/zinc/15/15/62/782151562.db2.gz FDQYNXKYQBZEMG-AAEUAGOBSA-N 1 0 252.314 -1.103 20 30 CAEDRO C=CC[NH2+]C/C=C/CNC(=O)CN1C(=O)CNC1=O ZINC001274559683 782150531 /nfs/dbraw/zinc/15/05/31/782150531.db2.gz MSHKLVGXVGYYCW-ONEGZZNKSA-N 1 0 266.301 -1.014 20 30 CAEDRO C#CCN1C[C@@]2(CC[N@@H+](C[C@H](O)C(=O)OC)C2)OCC1=O ZINC001274604754 782153154 /nfs/dbraw/zinc/15/31/54/782153154.db2.gz XPSLZGMUXGURIZ-FZMZJTMJSA-N 1 0 296.323 -1.543 20 30 CAEDRO N#CCCCN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274564098 782151845 /nfs/dbraw/zinc/15/18/45/782151845.db2.gz FMNIJGMGPBRDIG-GXTWGEPZSA-N 1 0 297.355 -1.053 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cn1cnnn1 ZINC001274671314 782154525 /nfs/dbraw/zinc/15/45/25/782154525.db2.gz QSXNHKWTZFVMLN-MRVPVSSYSA-N 1 0 280.292 -2.593 20 30 CAEDRO C[C@@H](CCNC(=O)Cn1cnnn1)[NH2+]CC(=O)NCC#N ZINC001274675219 782155257 /nfs/dbraw/zinc/15/52/57/782155257.db2.gz GKUIHRSSMBPJGP-VIFPVBQESA-N 1 0 294.319 -2.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001274664759 782155308 /nfs/dbraw/zinc/15/53/08/782155308.db2.gz KEOSESRBJBNIGD-LLVKDONJSA-N 1 0 290.323 -1.223 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000819295350 582177382 /nfs/dbraw/zinc/17/73/82/582177382.db2.gz OWOXQYMLOHJUQM-UHFFFAOYSA-N 1 0 273.358 -1.204 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CCS(N)(=O)=O ZINC000873024414 582259611 /nfs/dbraw/zinc/25/96/11/582259611.db2.gz QRNBTGVVKASJSZ-UHFFFAOYSA-N 1 0 290.389 -1.129 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC(N)=O ZINC001274709408 782156709 /nfs/dbraw/zinc/15/67/09/782156709.db2.gz NWMXYJCGJHUDGR-BDAKNGLRSA-N 1 0 270.333 -1.353 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001274721230 782157286 /nfs/dbraw/zinc/15/72/86/782157286.db2.gz BVYRSYSZXUQVSP-NXEZZACHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC(=O)NCC ZINC001274726904 782157405 /nfs/dbraw/zinc/15/74/05/782157405.db2.gz KXYUARRNSQKFKM-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO COC[C@@](C)([NH3+])CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000265052685 522526177 /nfs/dbraw/zinc/52/61/77/522526177.db2.gz QGRGGPGAOXCBCL-LBPRGKRZSA-N 1 0 281.316 -1.269 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001274732870 782157685 /nfs/dbraw/zinc/15/76/85/782157685.db2.gz JEHBSYOMLGOGIZ-PELKAZGASA-N 1 0 286.332 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001274759548 782157857 /nfs/dbraw/zinc/15/78/57/782157857.db2.gz DHDIYRWCSMGNHS-SECBINFHSA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001274797899 782158990 /nfs/dbraw/zinc/15/89/90/782158990.db2.gz MUZCHIUZEZDSRL-JTQLQIEISA-N 1 0 290.389 -1.500 20 30 CAEDRO CCC(=O)N[C@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001274768073 782158002 /nfs/dbraw/zinc/15/80/02/782158002.db2.gz TURZVGAGBZHQNN-NXEZZACHSA-N 1 0 297.359 -1.365 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@]12C[C@H]1COC2 ZINC001274759875 782158077 /nfs/dbraw/zinc/15/80/77/782158077.db2.gz HQQLIMCXGMNJMM-NRUUGDAUSA-N 1 0 280.328 -1.243 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001274727267 782158098 /nfs/dbraw/zinc/15/80/98/782158098.db2.gz UZDBQONUXNMJDG-GFCCVEGCSA-N 1 0 298.387 -1.285 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001274732871 782158378 /nfs/dbraw/zinc/15/83/78/782158378.db2.gz JEHBSYOMLGOGIZ-PRHODGIISA-N 1 0 286.332 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cncn1C ZINC001274831027 782159885 /nfs/dbraw/zinc/15/98/85/782159885.db2.gz ZWGZDAREDBLSNQ-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001274883760 782160642 /nfs/dbraw/zinc/16/06/42/782160642.db2.gz QAYOYSUEXUEINF-RKDXNWHRSA-N 1 0 296.331 -2.256 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001274900840 782160708 /nfs/dbraw/zinc/16/07/08/782160708.db2.gz NBJQZCFSDSNVQC-SECBINFHSA-N 1 0 282.344 -1.352 20 30 CAEDRO CC#CC[NH+]1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001274910398 782161200 /nfs/dbraw/zinc/16/12/00/782161200.db2.gz JGGOZMNTXUCUQU-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001274938950 782162001 /nfs/dbraw/zinc/16/20/01/782162001.db2.gz VVMQGNZAQIAAFH-SNVBAGLBSA-N 1 0 290.389 -1.500 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001274938234 782162804 /nfs/dbraw/zinc/16/28/04/782162804.db2.gz JSBCZRWEHMEFPG-BDAKNGLRSA-N 1 0 266.301 -1.298 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001274985187 782163825 /nfs/dbraw/zinc/16/38/25/782163825.db2.gz XDPCKGQLYMQPBM-JTQLQIEISA-N 1 0 295.343 -1.528 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001275104946 782165110 /nfs/dbraw/zinc/16/51/10/782165110.db2.gz HIDXZKOLTUJXMB-VIFPVBQESA-N 1 0 292.343 -1.419 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001275120325 782165124 /nfs/dbraw/zinc/16/51/24/782165124.db2.gz BVYRSYSZXUQVSP-VHSXEESVSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC(C)(C)O ZINC001275135773 782165468 /nfs/dbraw/zinc/16/54/68/782165468.db2.gz MYKNSARVIXSANP-VIFPVBQESA-N 1 0 270.333 -1.119 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001275122335 782165574 /nfs/dbraw/zinc/16/55/74/782165574.db2.gz YNPMGPFZZNRXCO-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001275149559 782165760 /nfs/dbraw/zinc/16/57/60/782165760.db2.gz CZSBQOHIHZVTCY-UWVGGRQHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001275149568 782165880 /nfs/dbraw/zinc/16/58/80/782165880.db2.gz DKQJQNVQKPMMBM-QMMMGPOBSA-N 1 0 266.301 -1.311 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001275149560 782166071 /nfs/dbraw/zinc/16/60/71/782166071.db2.gz CZSBQOHIHZVTCY-VHSXEESVSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001275173642 782166196 /nfs/dbraw/zinc/16/61/96/782166196.db2.gz JRQCLUQWRNHLEW-NSHDSACASA-N 1 0 292.339 -1.335 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCNC(=O)C1 ZINC001275120323 782166441 /nfs/dbraw/zinc/16/64/41/782166441.db2.gz BVYRSYSZXUQVSP-UWVGGRQHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001275122333 782166445 /nfs/dbraw/zinc/16/64/45/782166445.db2.gz YNPMGPFZZNRXCO-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO Cc1cncn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001275238099 782166909 /nfs/dbraw/zinc/16/69/09/782166909.db2.gz OWFPAWAKFZIWCP-JTQLQIEISA-N 1 0 292.343 -1.074 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001275208605 782167517 /nfs/dbraw/zinc/16/75/17/782167517.db2.gz LCIDDQKIVQOZQW-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001275259472 782168386 /nfs/dbraw/zinc/16/83/86/782168386.db2.gz WIIAHHALIGJRBZ-WCBMZHEXSA-N 1 0 292.343 -1.041 20 30 CAEDRO C#CCNC(=O)CN1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000491393749 545513866 /nfs/dbraw/zinc/51/38/66/545513866.db2.gz JROPCMTZSFYZRO-AWEZNQCLSA-N 1 0 296.415 -1.334 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000352413786 545536644 /nfs/dbraw/zinc/53/66/44/545536644.db2.gz QVGRDVAFGPEUGV-SNVBAGLBSA-N 1 0 288.373 -1.066 20 30 CAEDRO CN(CC#CCN(C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000671242329 545554258 /nfs/dbraw/zinc/55/42/58/545554258.db2.gz DANXKHBIIYWIKJ-VXGBXAGGSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001275434767 782171335 /nfs/dbraw/zinc/17/13/35/782171335.db2.gz KMWLMJSBSQDOBJ-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnon1 ZINC001275375004 782171416 /nfs/dbraw/zinc/17/14/16/782171416.db2.gz LDFIIRXGNPXXRF-QMMMGPOBSA-N 1 0 265.273 -1.473 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnon1 ZINC001275374923 782171631 /nfs/dbraw/zinc/17/16/31/782171631.db2.gz JPMLCXOIHPNZNV-ZETCQYMHSA-N 1 0 266.261 -1.583 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001275477466 782172612 /nfs/dbraw/zinc/17/26/12/782172612.db2.gz ZRTVRWXUCHAUOL-QWRGUYRKSA-N 1 0 295.339 -1.217 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cn1ccnc1 ZINC001275467990 782172682 /nfs/dbraw/zinc/17/26/82/782172682.db2.gz SMYGIYJQCOVXOA-JTQLQIEISA-N 1 0 278.316 -1.383 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001275458724 782173429 /nfs/dbraw/zinc/17/34/29/782173429.db2.gz GBTQHXDTJHGHHA-VIFPVBQESA-N 1 0 278.316 -1.505 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001275570203 782174090 /nfs/dbraw/zinc/17/40/90/782174090.db2.gz DHICCIXAIRCMPR-ZJUUUORDSA-N 1 0 292.343 -1.117 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001275507275 782174271 /nfs/dbraw/zinc/17/42/71/782174271.db2.gz YNOAMBCJHCDZGG-NSHDSACASA-N 1 0 280.332 -1.241 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001275561311 782174589 /nfs/dbraw/zinc/17/45/89/782174589.db2.gz ZXQPOWQIHOGWKY-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001275570201 782174720 /nfs/dbraw/zinc/17/47/20/782174720.db2.gz DHICCIXAIRCMPR-UWVGGRQHSA-N 1 0 292.343 -1.117 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001275615326 782175464 /nfs/dbraw/zinc/17/54/64/782175464.db2.gz PKWUTPKZGQUNEF-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001275615327 782176062 /nfs/dbraw/zinc/17/60/62/782176062.db2.gz PKWUTPKZGQUNEF-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001275666505 782178215 /nfs/dbraw/zinc/17/82/15/782178215.db2.gz YDTZWLJMBFSIDF-JQWIXIFHSA-N 1 0 296.371 -1.174 20 30 CAEDRO C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)CC(=O)NCC#N ZINC001275919778 782181922 /nfs/dbraw/zinc/18/19/22/782181922.db2.gz GGWYXIPOZKPBBA-VIFPVBQESA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001275897637 782182016 /nfs/dbraw/zinc/18/20/16/782182016.db2.gz RIXNDOIFFVTWCU-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)C(N)=O ZINC001275920610 782182866 /nfs/dbraw/zinc/18/28/66/782182866.db2.gz MDPAEJOSCUZWAS-MRVPVSSYSA-N 1 0 299.331 -2.080 20 30 CAEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001275897636 782182953 /nfs/dbraw/zinc/18/29/53/782182953.db2.gz RIXNDOIFFVTWCU-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO CNC(NCCNS(=O)(=O)NC(C)C)=[NH+]C ZINC000849022701 582111317 /nfs/dbraw/zinc/11/13/17/582111317.db2.gz SVMBWSOQEWFUIN-UHFFFAOYSA-N 1 0 251.356 -1.386 20 30 CAEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC(=O)NCC#N)[C@@H]2C1 ZINC000894817512 582114260 /nfs/dbraw/zinc/11/42/60/582114260.db2.gz RQDUWENLJDMXPO-NXEZZACHSA-N 1 0 265.317 -1.028 20 30 CAEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC(=O)NCC#N)C1 ZINC000894817513 582114336 /nfs/dbraw/zinc/11/43/36/582114336.db2.gz RQDUWENLJDMXPO-UWVGGRQHSA-N 1 0 265.317 -1.028 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CCNCC1=O ZINC000834485383 582124165 /nfs/dbraw/zinc/12/41/65/582124165.db2.gz VVDSWXNWAUMLNW-RKDXNWHRSA-N 1 0 251.290 -2.354 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCCN(C)S(=O)(=O)CC ZINC000746514140 582141755 /nfs/dbraw/zinc/14/17/55/582141755.db2.gz ULUKKSRTJLVAAA-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO NC(=O)CNN=C1CC[NH+](CCN2CCOCC2)CC1 ZINC000758895848 582146731 /nfs/dbraw/zinc/14/67/31/582146731.db2.gz CWSXFEVPWAQCIE-UHFFFAOYSA-N 1 0 283.376 -1.155 20 30 CAEDRO C#CCNC(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000779606370 582157517 /nfs/dbraw/zinc/15/75/17/582157517.db2.gz PPOYQKSSTYEUAP-UHFFFAOYSA-N 1 0 295.383 -1.105 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000794844267 582165192 /nfs/dbraw/zinc/16/51/92/582165192.db2.gz XHMMMXWYVHYUOP-WDNDVIMCSA-N 1 0 277.368 -1.066 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000808772792 582170404 /nfs/dbraw/zinc/17/04/04/582170404.db2.gz GZVWBHLBHGADJN-ZDUSSCGKSA-N 1 0 292.383 -1.039 20 30 CAEDRO C#CCNC(=O)CC[N@H+](CCO)CCN1CCOCC1 ZINC000815057336 582172971 /nfs/dbraw/zinc/17/29/71/582172971.db2.gz SKQUGVDFFPRMHR-UHFFFAOYSA-N 1 0 283.372 -1.248 20 30 CAEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000819221866 582177229 /nfs/dbraw/zinc/17/72/29/582177229.db2.gz IZVBHXIQPIWQIC-LBPRGKRZSA-N 1 0 292.401 -1.130 20 30 CAEDRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(O)C2=O)C1 ZINC000820126525 582178936 /nfs/dbraw/zinc/17/89/36/582178936.db2.gz DERQPYAIVFNFGZ-JTQLQIEISA-N 1 0 270.333 -1.414 20 30 CAEDRO O=C(N[C@@H]1CCN(O)C1=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000820127925 582179045 /nfs/dbraw/zinc/17/90/45/582179045.db2.gz RROABAJLWFCFSM-VHSXEESVSA-N 1 0 269.301 -1.187 20 30 CAEDRO O=C(N[C@H]1CCN(O)C1=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000820127926 582179071 /nfs/dbraw/zinc/17/90/71/582179071.db2.gz RROABAJLWFCFSM-ZJUUUORDSA-N 1 0 269.301 -1.187 20 30 CAEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(O)C2=O)CC1=O ZINC000820156230 582179179 /nfs/dbraw/zinc/17/91/79/582179179.db2.gz FJQJAYFNOTZUIH-VHSXEESVSA-N 1 0 298.343 -1.497 20 30 CAEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCN(O)C2=O)CC1=O ZINC000820156224 582179184 /nfs/dbraw/zinc/17/91/84/582179184.db2.gz FJQJAYFNOTZUIH-NXEZZACHSA-N 1 0 298.343 -1.497 20 30 CAEDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(O)C2=O)CC1=O ZINC000820156232 582179196 /nfs/dbraw/zinc/17/91/96/582179196.db2.gz FJQJAYFNOTZUIH-ZJUUUORDSA-N 1 0 298.343 -1.497 20 30 CAEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(O)C2=O)CC1=O ZINC000820156228 582179226 /nfs/dbraw/zinc/17/92/26/582179226.db2.gz FJQJAYFNOTZUIH-UWVGGRQHSA-N 1 0 298.343 -1.497 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000825968044 582189452 /nfs/dbraw/zinc/18/94/52/582189452.db2.gz OVQNGNNOXCTFGP-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000827971901 582193936 /nfs/dbraw/zinc/19/39/36/582193936.db2.gz LJXGPPDOQOWRAN-VIFPVBQESA-N 1 0 255.343 -1.101 20 30 CAEDRO CC(=O)N1CCO[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000827972123 582193975 /nfs/dbraw/zinc/19/39/75/582193975.db2.gz RWHXXNPBSUMOGJ-LBPRGKRZSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000830866044 582199183 /nfs/dbraw/zinc/19/91/83/582199183.db2.gz SAAYPTAPHHCTLZ-WDEREUQCSA-N 1 0 268.313 -1.018 20 30 CAEDRO CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834483883 582210313 /nfs/dbraw/zinc/21/03/13/582210313.db2.gz AVCRANRKZQYMRJ-BDAKNGLRSA-N 1 0 288.373 -1.068 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000834480786 582210332 /nfs/dbraw/zinc/21/03/32/582210332.db2.gz WCZNILOHJYKRFY-FXPVBKGRSA-N 1 0 288.311 -1.010 20 30 CAEDRO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834483886 582210360 /nfs/dbraw/zinc/21/03/60/582210360.db2.gz AVCRANRKZQYMRJ-RKDXNWHRSA-N 1 0 288.373 -1.068 20 30 CAEDRO CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834483885 582210369 /nfs/dbraw/zinc/21/03/69/582210369.db2.gz AVCRANRKZQYMRJ-IUCAKERBSA-N 1 0 288.373 -1.068 20 30 CAEDRO CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834498867 582210527 /nfs/dbraw/zinc/21/05/27/582210527.db2.gz CLZYPLHJNNMGFZ-MNOVXSKESA-N 1 0 281.360 -1.329 20 30 CAEDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834498698 582210540 /nfs/dbraw/zinc/21/05/40/582210540.db2.gz BNRINHOZDKFAJB-SFYZADRCSA-N 1 0 274.346 -1.458 20 30 CAEDRO CCS(=O)(=O)NCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499509 582210543 /nfs/dbraw/zinc/21/05/43/582210543.db2.gz IXYQQPKWNYHIFT-SFYZADRCSA-N 1 0 260.319 -1.847 20 30 CAEDRO CCN1CCO[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000834499943 582210551 /nfs/dbraw/zinc/21/05/51/582210551.db2.gz OVIMMZBPUKHHEC-MXWKQRLJSA-N 1 0 252.318 -1.065 20 30 CAEDRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499970 582210582 /nfs/dbraw/zinc/21/05/82/582210582.db2.gz PIYJTEIAPPFYFN-KXUCPTDWSA-N 1 0 286.357 -1.362 20 30 CAEDRO CCS(=O)(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499508 582210591 /nfs/dbraw/zinc/21/05/91/582210591.db2.gz IXYQQPKWNYHIFT-JGVFFNPUSA-N 1 0 260.319 -1.847 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCC(=O)N1CCOCC1 ZINC000834494590 582210596 /nfs/dbraw/zinc/21/05/96/582210596.db2.gz OKGIRLSFMLHIFS-MNOVXSKESA-N 1 0 280.328 -1.147 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC(=O)N1CCOCC1 ZINC000834494591 582210602 /nfs/dbraw/zinc/21/06/02/582210602.db2.gz OKGIRLSFMLHIFS-QWRGUYRKSA-N 1 0 280.328 -1.147 20 30 CAEDRO CCS(=O)(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499507 582210621 /nfs/dbraw/zinc/21/06/21/582210621.db2.gz IXYQQPKWNYHIFT-HTQZYQBOSA-N 1 0 260.319 -1.847 20 30 CAEDRO CCS(=O)(=O)NCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499510 582210631 /nfs/dbraw/zinc/21/06/31/582210631.db2.gz IXYQQPKWNYHIFT-YUMQZZPRSA-N 1 0 260.319 -1.847 20 30 CAEDRO CCN1CCN(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C(=O)C1=O ZINC000834499933 582210637 /nfs/dbraw/zinc/21/06/37/582210637.db2.gz OULXTHLBIUDHRU-NXEZZACHSA-N 1 0 293.327 -2.095 20 30 CAEDRO CCN1CCO[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000834499942 582210641 /nfs/dbraw/zinc/21/06/41/582210641.db2.gz OVIMMZBPUKHHEC-DCAQKATOSA-N 1 0 252.318 -1.065 20 30 CAEDRO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499459 582210658 /nfs/dbraw/zinc/21/06/58/582210658.db2.gz IOKQPMRCBSWOOB-NXEZZACHSA-N 1 0 288.373 -1.114 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000834500236 582210751 /nfs/dbraw/zinc/21/07/51/582210751.db2.gz QTZWISPEHCBWGT-NXEZZACHSA-N 1 0 286.295 -1.276 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000834500237 582210771 /nfs/dbraw/zinc/21/07/71/582210771.db2.gz QTZWISPEHCBWGT-UWVGGRQHSA-N 1 0 286.295 -1.276 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCCNC1=O ZINC000834516098 582210776 /nfs/dbraw/zinc/21/07/76/582210776.db2.gz FKUPAAXGTDSHIX-BDAKNGLRSA-N 1 0 251.290 -1.371 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCCNC1=O ZINC000834516110 582210780 /nfs/dbraw/zinc/21/07/80/582210780.db2.gz FKUPAAXGTDSHIX-IUCAKERBSA-N 1 0 251.290 -1.371 20 30 CAEDRO COCCN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000834500316 582210787 /nfs/dbraw/zinc/21/07/87/582210787.db2.gz RYTDAIXAZWSCRJ-GMTAPVOTSA-N 1 0 280.328 -1.291 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000834500444 582210825 /nfs/dbraw/zinc/21/08/25/582210825.db2.gz TUMXESYHWUQNDH-IUCAKERBSA-N 1 0 272.330 -1.750 20 30 CAEDRO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1=O ZINC000834516940 582210859 /nfs/dbraw/zinc/21/08/59/582210859.db2.gz NWYKDUKMQQXPGO-RKDXNWHRSA-N 1 0 277.284 -2.225 20 30 CAEDRO CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000843110235 582213629 /nfs/dbraw/zinc/21/36/29/582213629.db2.gz KYROXHAOPFZCPO-YPMHNXCESA-N 1 0 293.323 -1.006 20 30 CAEDRO CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000843110223 582213644 /nfs/dbraw/zinc/21/36/44/582213644.db2.gz KYROXHAOPFZCPO-AAEUAGOBSA-N 1 0 293.323 -1.006 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000843459292 582214415 /nfs/dbraw/zinc/21/44/15/582214415.db2.gz DSNGPBHGVZGWPA-XVKPBYJWSA-N 1 0 295.324 -1.430 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2nnnn2c1 ZINC000843458962 582214436 /nfs/dbraw/zinc/21/44/36/582214436.db2.gz AKQLDUHQJNEFCB-IUCAKERBSA-N 1 0 257.257 -1.034 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000843459291 582214466 /nfs/dbraw/zinc/21/44/66/582214466.db2.gz DSNGPBHGVZGWPA-XCBNKYQSSA-N 1 0 295.324 -1.430 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC000843458963 582214498 /nfs/dbraw/zinc/21/44/98/582214498.db2.gz AKQLDUHQJNEFCB-RKDXNWHRSA-N 1 0 257.257 -1.034 20 30 CAEDRO COC(=O)c1cn(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)nn1 ZINC000843459503 582214518 /nfs/dbraw/zinc/21/45/18/582214518.db2.gz FOKLHMCKWNALKY-HTQZYQBOSA-N 1 0 278.272 -1.708 20 30 CAEDRO CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843460949 582214526 /nfs/dbraw/zinc/21/45/26/582214526.db2.gz ROZBVZCQRHWUSQ-BDAKNGLRSA-N 1 0 274.346 -1.504 20 30 CAEDRO COC(=O)c1cn(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)nn1 ZINC000843459510 582214533 /nfs/dbraw/zinc/21/45/33/582214533.db2.gz FOKLHMCKWNALKY-SFYZADRCSA-N 1 0 278.272 -1.708 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000843463014 582214580 /nfs/dbraw/zinc/21/45/80/582214580.db2.gz UIILGEMIVRFCHX-PSASIEDQSA-N 1 0 291.267 -1.016 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCN1CCCS1(=O)=O ZINC000843462656 582214612 /nfs/dbraw/zinc/21/46/12/582214612.db2.gz RSWUJPIKCZXXQD-UWVGGRQHSA-N 1 0 286.357 -1.360 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCN1CCCS1(=O)=O ZINC000843462657 582214639 /nfs/dbraw/zinc/21/46/39/582214639.db2.gz RSWUJPIKCZXXQD-VHSXEESVSA-N 1 0 286.357 -1.360 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000843463020 582214676 /nfs/dbraw/zinc/21/46/76/582214676.db2.gz UIILGEMIVRFCHX-WCBMZHEXSA-N 1 0 291.267 -1.016 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCN1CCCS1(=O)=O ZINC000843462654 582214685 /nfs/dbraw/zinc/21/46/85/582214685.db2.gz RSWUJPIKCZXXQD-NXEZZACHSA-N 1 0 286.357 -1.360 20 30 CAEDRO C#CCNC(=O)CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844381149 582216646 /nfs/dbraw/zinc/21/66/46/582216646.db2.gz IUZDNCHRSVSZRT-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2COC)CC1 ZINC000844392786 582216673 /nfs/dbraw/zinc/21/66/73/582216673.db2.gz MQDKHNZJHHCUFT-UONOGXRCSA-N 1 0 295.383 -1.155 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC000846228855 582221248 /nfs/dbraw/zinc/22/12/48/582221248.db2.gz RNQHWTODZSHMME-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846282880 582221361 /nfs/dbraw/zinc/22/13/61/582221361.db2.gz BKPJFZPFXJZEFG-UHFFFAOYSA-N 1 0 294.355 -1.690 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000846678106 582223034 /nfs/dbraw/zinc/22/30/34/582223034.db2.gz QXMQQQRMDVABGR-ZJUUUORDSA-N 1 0 290.327 -1.391 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000846678104 582223040 /nfs/dbraw/zinc/22/30/40/582223040.db2.gz QXMQQQRMDVABGR-UWVGGRQHSA-N 1 0 290.327 -1.391 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847041013 582223712 /nfs/dbraw/zinc/22/37/12/582223712.db2.gz LMDXDUOWHAZDEJ-GRYCIOLGSA-N 1 0 251.330 -1.125 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)CN1CCOCC1 ZINC000847142246 582224087 /nfs/dbraw/zinc/22/40/87/582224087.db2.gz YBMNLARMIMUAKK-LBPRGKRZSA-N 1 0 271.361 -1.087 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CN1CCOCC1 ZINC000847142245 582224111 /nfs/dbraw/zinc/22/41/11/582224111.db2.gz YBMNLARMIMUAKK-GFCCVEGCSA-N 1 0 271.361 -1.087 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)NCC(=O)OC ZINC000848009065 582225085 /nfs/dbraw/zinc/22/50/85/582225085.db2.gz LYCYRTFECGSJIB-UHFFFAOYSA-N 1 0 257.290 -1.490 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC000848142437 582226040 /nfs/dbraw/zinc/22/60/40/582226040.db2.gz IQPFLMGXJMPQCR-UHFFFAOYSA-N 1 0 279.344 -1.038 20 30 CAEDRO C[C@H]1C[NH+]=C(NCCS(=O)(=O)N2CCOCC2)N1 ZINC000849000798 582227128 /nfs/dbraw/zinc/22/71/28/582227128.db2.gz QGBFQUFPFATJTP-VIFPVBQESA-N 1 0 276.362 -1.414 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1COCCO1 ZINC000848994688 582227149 /nfs/dbraw/zinc/22/71/49/582227149.db2.gz PXQUPQACUHXCPG-GFCCVEGCSA-N 1 0 286.376 -1.101 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@H]1COCCO1 ZINC000848994689 582227202 /nfs/dbraw/zinc/22/72/02/582227202.db2.gz PXQUPQACUHXCPG-LBPRGKRZSA-N 1 0 286.376 -1.101 20 30 CAEDRO C[C@H]1C[NH+]=C(NCCN2CCN(S(C)(=O)=O)CC2)N1 ZINC000848995807 582227248 /nfs/dbraw/zinc/22/72/48/582227248.db2.gz VEHLWOPYNVJFDS-JTQLQIEISA-N 1 0 289.405 -1.499 20 30 CAEDRO C[NH+]=C(NCCCOCCO)NCCN1CCOCC1 ZINC000849016554 582227344 /nfs/dbraw/zinc/22/73/44/582227344.db2.gz QJELTBRNTKFSKQ-UHFFFAOYSA-N 1 0 288.392 -1.117 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCc1nnn(C)n1 ZINC000849023294 582227353 /nfs/dbraw/zinc/22/73/53/582227353.db2.gz GSOHZGODQBARQF-UHFFFAOYSA-N 1 0 282.352 -1.793 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCc1cnn(C)n1 ZINC000849027962 582227365 /nfs/dbraw/zinc/22/73/65/582227365.db2.gz YAQQSCPJDBDVJP-UHFFFAOYSA-N 1 0 281.364 -1.188 20 30 CAEDRO C[NH+]=C(NCCc1nnnn1C)NCCN1CCOCC1 ZINC000849015754 582227379 /nfs/dbraw/zinc/22/73/79/582227379.db2.gz DSZHKIDNKGSMLV-UHFFFAOYSA-N 1 0 296.379 -1.750 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCC(=O)NCC#N ZINC000849027680 582227401 /nfs/dbraw/zinc/22/74/01/582227401.db2.gz DJGAFVUWCQLVEF-UHFFFAOYSA-N 1 0 282.348 -1.877 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000849047747 582227404 /nfs/dbraw/zinc/22/74/04/582227404.db2.gz UOWQWNHIMDXPHR-PHIMTYICSA-N 1 0 283.376 -1.253 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000851684244 582228942 /nfs/dbraw/zinc/22/89/42/582228942.db2.gz CUOHPPCCOGKIDH-GARJFASQSA-N 1 0 265.313 -1.239 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C=C)CO)CC1 ZINC000852714682 582230630 /nfs/dbraw/zinc/23/06/30/582230630.db2.gz YOALDEIQNOGMGN-GFCCVEGCSA-N 1 0 251.330 -1.100 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn2nnnc2c1 ZINC000852875120 582231766 /nfs/dbraw/zinc/23/17/66/582231766.db2.gz FDKHEAGDZHGDAY-IUCAKERBSA-N 1 0 257.257 -1.034 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccn2nnnc2c1 ZINC000852875118 582231807 /nfs/dbraw/zinc/23/18/07/582231807.db2.gz FDKHEAGDZHGDAY-BDAKNGLRSA-N 1 0 257.257 -1.034 20 30 CAEDRO C#CC[C@@H](CO)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854544220 582234664 /nfs/dbraw/zinc/23/46/64/582234664.db2.gz MKHNUNFKXWWAKE-NWDGAFQWSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854546047 582234669 /nfs/dbraw/zinc/23/46/69/582234669.db2.gz VVDXOLSUXMTYRS-RYUDHWBXSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854546048 582234690 /nfs/dbraw/zinc/23/46/90/582234690.db2.gz VVDXOLSUXMTYRS-VXGBXAGGSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854546045 582234698 /nfs/dbraw/zinc/23/46/98/582234698.db2.gz VVDXOLSUXMTYRS-NEPJUHHUSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CC(O)(CO)C2)CC1 ZINC000854673190 582235763 /nfs/dbraw/zinc/23/57/63/582235763.db2.gz VABBMOCXBDCODX-UHFFFAOYSA-N 1 0 252.314 -1.103 20 30 CAEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854770694 582236221 /nfs/dbraw/zinc/23/62/21/582236221.db2.gz MCRWUPFSWKXOHA-MNOVXSKESA-N 1 0 267.329 -1.493 20 30 CAEDRO C#C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854770695 582236225 /nfs/dbraw/zinc/23/62/25/582236225.db2.gz MCRWUPFSWKXOHA-QWRGUYRKSA-N 1 0 267.329 -1.493 20 30 CAEDRO C#CCNC(=O)C1CC[NH+](CCS(=O)(=O)NC)CC1 ZINC000856723326 582238332 /nfs/dbraw/zinc/23/83/32/582238332.db2.gz NBJUIQVOVNKYIU-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000859451230 582241287 /nfs/dbraw/zinc/24/12/87/582241287.db2.gz ZDRJJFQQKSBEGG-KBPBESRZSA-N 1 0 295.383 -1.704 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)NCCOCC[NH2+]C)[C@H]1CCCO1 ZINC000861753473 582244829 /nfs/dbraw/zinc/24/48/29/582244829.db2.gz ZLLLOLXLOQAIKB-VXGBXAGGSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1CCCO1 ZINC000861752687 582244841 /nfs/dbraw/zinc/24/48/41/582244841.db2.gz LQNGODLGUIAEBB-RYUDHWBXSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NCCOCC[NH2+]C)[C@@H]1CCCO1 ZINC000861753472 582244844 /nfs/dbraw/zinc/24/48/44/582244844.db2.gz ZLLLOLXLOQAIKB-RYUDHWBXSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCCO1 ZINC000861752737 582244894 /nfs/dbraw/zinc/24/48/94/582244894.db2.gz NCMMVJCOOUYMNV-GRYCIOLGSA-N 1 0 295.339 -1.612 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NCCOCC[NH2+]C)[C@H]1CCCO1 ZINC000861753471 582244914 /nfs/dbraw/zinc/24/49/14/582244914.db2.gz ZLLLOLXLOQAIKB-NWDGAFQWSA-N 1 0 297.355 -1.364 20 30 CAEDRO CNC(=O)[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000863563806 582249154 /nfs/dbraw/zinc/24/91/54/582249154.db2.gz RMLXUFWFNANKNA-NWDGAFQWSA-N 1 0 293.323 -1.006 20 30 CAEDRO CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000863563804 582249189 /nfs/dbraw/zinc/24/91/89/582249189.db2.gz RMLXUFWFNANKNA-NEPJUHHUSA-N 1 0 293.323 -1.006 20 30 CAEDRO C#CC(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868390526 582256437 /nfs/dbraw/zinc/25/64/37/582256437.db2.gz LHFRCQSCSMJOMN-LLVKDONJSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCS(=O)(=O)NC ZINC000872220104 582258951 /nfs/dbraw/zinc/25/89/51/582258951.db2.gz DYTJGLXCPJDQLH-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000872227415 582258970 /nfs/dbraw/zinc/25/89/70/582258970.db2.gz DJNNKGWIQBPPAR-CYBMUJFWSA-N 1 0 281.312 -1.063 20 30 CAEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)N1CCNCC1=O ZINC000876802533 582263310 /nfs/dbraw/zinc/26/33/10/582263310.db2.gz QAEPROOWKGBRFB-OPRDCNLKSA-N 1 0 265.317 -1.966 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000878982903 582266965 /nfs/dbraw/zinc/26/69/65/582266965.db2.gz GUEDQLTZUROORQ-ZFWWWQNUSA-N 1 0 295.383 -1.419 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@](C)(CO)COC)CC1 ZINC000879163350 582267214 /nfs/dbraw/zinc/26/72/14/582267214.db2.gz GKRIHSAJPAYLSI-CQSZACIVSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CCNC(=O)CC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000879355998 582267328 /nfs/dbraw/zinc/26/73/28/582267328.db2.gz VCPTXSGZFYXENZ-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531151 582267429 /nfs/dbraw/zinc/26/74/29/582267429.db2.gz WZWLTPVFJOBGLG-DTORHVGOSA-N 1 0 294.311 -1.455 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531835 582267660 /nfs/dbraw/zinc/26/76/60/582267660.db2.gz LGHWUIIWSZRPHD-BBBLOLIVSA-N 1 0 263.297 -1.329 20 30 CAEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532873 582267733 /nfs/dbraw/zinc/26/77/33/582267733.db2.gz YJMYTHULSXQBFL-DTORHVGOSA-N 1 0 251.286 -1.165 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000879694269 582268136 /nfs/dbraw/zinc/26/81/36/582268136.db2.gz ZDRJJFQQKSBEGG-OKILXGFUSA-N 1 0 295.383 -1.704 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566170 582269860 /nfs/dbraw/zinc/26/98/60/582269860.db2.gz VTIHEWNTKIOJCJ-LBPRGKRZSA-N 1 0 254.286 -1.264 20 30 CAEDRO C=CCOC(=O)[C@@H](N)CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000884026532 582272844 /nfs/dbraw/zinc/27/28/44/582272844.db2.gz GJGVFNYVWCGJJL-LBPRGKRZSA-N 1 0 298.387 -1.203 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCCO1 ZINC000884553186 582275359 /nfs/dbraw/zinc/27/53/59/582275359.db2.gz QUJZPXRCYCEINW-FIQHERPVSA-N 1 0 277.324 -1.144 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000884674429 582275774 /nfs/dbraw/zinc/27/57/74/582275774.db2.gz VWCGKOMVQGQCAB-LBPRGKRZSA-N 1 0 293.371 -1.088 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000884693312 582276267 /nfs/dbraw/zinc/27/62/67/582276267.db2.gz UUECKWUAINQCCP-UHFFFAOYSA-N 1 0 265.317 -1.868 20 30 CAEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000884797810 582276724 /nfs/dbraw/zinc/27/67/24/582276724.db2.gz XXVRVGBJKLJUHP-LLVKDONJSA-N 1 0 281.360 -1.232 20 30 CAEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCC[N@H+](C)CCO ZINC000885804937 582278082 /nfs/dbraw/zinc/27/80/82/582278082.db2.gz ZGKQHZCYKFVHAO-SNVBAGLBSA-N 1 0 278.378 -1.164 20 30 CAEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000886209438 582278754 /nfs/dbraw/zinc/27/87/54/582278754.db2.gz MXJCMMULWSZLRK-LLVKDONJSA-N 1 0 276.344 -1.049 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000969431727 612962897 /nfs/dbraw/zinc/96/28/97/612962897.db2.gz JXZFQFCJXMQSNE-ZJUUUORDSA-N 1 0 299.352 -2.277 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946918150 617288418 /nfs/dbraw/zinc/28/84/18/617288418.db2.gz DNIIRJSELPEMIF-WDEREUQCSA-N 1 0 294.355 -1.022 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000968785727 612960356 /nfs/dbraw/zinc/96/03/56/612960356.db2.gz QFQZLCHJWNBUAD-SNVBAGLBSA-N 1 0 256.327 -1.145 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000970670840 612960438 /nfs/dbraw/zinc/96/04/38/612960438.db2.gz NPZLLEPHVZMGGJ-NXEZZACHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970665471 612960835 /nfs/dbraw/zinc/96/08/35/612960835.db2.gz RWPZQGVSEWUQBZ-SECBINFHSA-N 1 0 264.285 -1.638 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000970470038 612960838 /nfs/dbraw/zinc/96/08/38/612960838.db2.gz KFRRWGHZLKWFPR-SNVBAGLBSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000970425575 612960923 /nfs/dbraw/zinc/96/09/23/612960923.db2.gz JJTBBXQYURTABZ-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970285549 612960982 /nfs/dbraw/zinc/96/09/82/612960982.db2.gz PTINWNGVRFVFFV-SECBINFHSA-N 1 0 264.285 -1.638 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000970893001 612961221 /nfs/dbraw/zinc/96/12/21/612961221.db2.gz FJPWGZGFTFUOGZ-NXEZZACHSA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC000970609810 612961968 /nfs/dbraw/zinc/96/19/68/612961968.db2.gz QLEDIGYINKSKFD-LLVKDONJSA-N 1 0 277.328 -1.286 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968732601 612962001 /nfs/dbraw/zinc/96/20/01/612962001.db2.gz QCFGXXRTEBVRTK-SECBINFHSA-N 1 0 276.300 -1.799 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000970239119 612962742 /nfs/dbraw/zinc/96/27/42/612962742.db2.gz IUNMFAGNCTZBFX-MNOVXSKESA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000970239118 612963659 /nfs/dbraw/zinc/96/36/59/612963659.db2.gz IUNMFAGNCTZBFX-GHMZBOCLSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000970161006 612966746 /nfs/dbraw/zinc/96/67/46/612966746.db2.gz KKPMXQFITUAIRH-SNVBAGLBSA-N 1 0 290.323 -1.479 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970795289 612967188 /nfs/dbraw/zinc/96/71/88/612967188.db2.gz BLZCUAMFAAXGLF-SECBINFHSA-N 1 0 276.300 -1.799 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000939486647 612968864 /nfs/dbraw/zinc/96/88/64/612968864.db2.gz XNXNNHPIVILXRZ-WDEREUQCSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC000939691483 612968866 /nfs/dbraw/zinc/96/88/66/612968866.db2.gz DXNKGVIPPSWPCP-NXEZZACHSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000939530994 612974894 /nfs/dbraw/zinc/97/48/94/612974894.db2.gz SZNCERVVZSDKRG-QWRGUYRKSA-N 1 0 292.339 -1.050 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000939486646 612974940 /nfs/dbraw/zinc/97/49/40/612974940.db2.gz XNXNNHPIVILXRZ-QWRGUYRKSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC000958015826 613034429 /nfs/dbraw/zinc/03/44/29/613034429.db2.gz QDSKMCYEHNNKBG-TZMCWYRMSA-N 1 0 293.367 -1.103 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958354083 613034712 /nfs/dbraw/zinc/03/47/12/613034712.db2.gz FZDRMXLGLDEOHF-ZYHUDNBSSA-N 1 0 290.323 -1.184 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC000958205582 613034917 /nfs/dbraw/zinc/03/49/17/613034917.db2.gz BAEBMIBFIOMXBD-MWLCHTKSSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC000958026047 613035100 /nfs/dbraw/zinc/03/51/00/613035100.db2.gz XWGBXIKGTXBQAE-GHMZBOCLSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC000958503816 613035132 /nfs/dbraw/zinc/03/51/32/613035132.db2.gz SYMFPHXMQUYAGA-NXEZZACHSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC000958035921 613035165 /nfs/dbraw/zinc/03/51/65/613035165.db2.gz KWXQBTKRETUVQU-ZYHUDNBSSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958354081 613036004 /nfs/dbraw/zinc/03/60/04/613036004.db2.gz FZDRMXLGLDEOHF-JQWIXIFHSA-N 1 0 290.323 -1.184 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329347 613037013 /nfs/dbraw/zinc/03/70/13/613037013.db2.gz XIKYIXRJBUTYFQ-UWVGGRQHSA-N 1 0 278.316 -1.744 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015825 613039531 /nfs/dbraw/zinc/03/95/31/613039531.db2.gz QDSKMCYEHNNKBG-OCCSQVGLSA-N 1 0 293.367 -1.103 20 30 CAEDRO C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958205581 613039808 /nfs/dbraw/zinc/03/98/08/613039808.db2.gz BAEBMIBFIOMXBD-KOLCDFICSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673481 613041711 /nfs/dbraw/zinc/04/17/11/613041711.db2.gz NFQUVGBTMRPWQH-WISYIIOYSA-N 1 0 276.340 -1.015 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000960352172 613043299 /nfs/dbraw/zinc/04/32/99/613043299.db2.gz SSZWQSUJGCZFDN-MIZYBKAJSA-N 1 0 290.323 -1.346 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000961911896 613043746 /nfs/dbraw/zinc/04/37/46/613043746.db2.gz HNBQKSROUCJXDP-MIZYBKAJSA-N 1 0 290.323 -1.346 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961633192 613043819 /nfs/dbraw/zinc/04/38/19/613043819.db2.gz WVEUMLXCEHKFMP-ZRUFSTJUSA-N 1 0 262.313 -1.263 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971821502 613080605 /nfs/dbraw/zinc/08/06/05/613080605.db2.gz LQQUNDGMUMBPFQ-CYBMUJFWSA-N 1 0 292.383 -1.074 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000971704279 613081580 /nfs/dbraw/zinc/08/15/80/613081580.db2.gz RBDIMXTWAZZIQN-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971564542 613081892 /nfs/dbraw/zinc/08/18/92/613081892.db2.gz YFRQHXKPAXIUAF-SNVBAGLBSA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206925 613082902 /nfs/dbraw/zinc/08/29/02/613082902.db2.gz LHZUGNXEVUBWRY-ZJUUUORDSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206921 613084487 /nfs/dbraw/zinc/08/44/87/613084487.db2.gz LHZUGNXEVUBWRY-NXEZZACHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980479790 613087236 /nfs/dbraw/zinc/08/72/36/613087236.db2.gz XOGUYHJQYRIPLZ-SNVBAGLBSA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000980346470 613089840 /nfs/dbraw/zinc/08/98/40/613089840.db2.gz NTNHWYASXKEGMG-JTQLQIEISA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206923 613091913 /nfs/dbraw/zinc/09/19/13/613091913.db2.gz LHZUGNXEVUBWRY-UWVGGRQHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000980427318 613092949 /nfs/dbraw/zinc/09/29/49/613092949.db2.gz KYSLTUNBOUDZAO-WDEREUQCSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980479787 613096231 /nfs/dbraw/zinc/09/62/31/613096231.db2.gz XOGUYHJQYRIPLZ-JTQLQIEISA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC000949174227 613139599 /nfs/dbraw/zinc/13/95/99/613139599.db2.gz LUDQNTKBVSVXMJ-UHFFFAOYSA-N 1 0 265.313 -1.202 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967717397 613218370 /nfs/dbraw/zinc/21/83/70/613218370.db2.gz ATBDAZVXMDBSIF-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 ZINC000943673121 613225732 /nfs/dbraw/zinc/22/57/32/613225732.db2.gz BBUSVNMEIOXUFJ-WDEREUQCSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC000942560574 613225773 /nfs/dbraw/zinc/22/57/73/613225773.db2.gz SDMNQNDIEOQCTI-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC000943673118 613225977 /nfs/dbraw/zinc/22/59/77/613225977.db2.gz BBUSVNMEIOXUFJ-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC000968622640 613251779 /nfs/dbraw/zinc/25/17/79/613251779.db2.gz AJXKXLRQIDZFKS-WDEREUQCSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC000944790014 613258374 /nfs/dbraw/zinc/25/83/74/613258374.db2.gz NXRLARCJAAWHJH-MNOVXSKESA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 ZINC000943673120 613258482 /nfs/dbraw/zinc/25/84/82/613258482.db2.gz BBUSVNMEIOXUFJ-QWRGUYRKSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000944790015 613258554 /nfs/dbraw/zinc/25/85/54/613258554.db2.gz NXRLARCJAAWHJH-QWRGUYRKSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC000942560575 613259519 /nfs/dbraw/zinc/25/95/19/613259519.db2.gz SDMNQNDIEOQCTI-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958673891 613285527 /nfs/dbraw/zinc/28/55/27/613285527.db2.gz YGABIYPATYOHLV-CMPLNLGQSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958525805 613285595 /nfs/dbraw/zinc/28/55/95/613285595.db2.gz KFSAARGXSGEQFJ-CMPLNLGQSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958020955 613285615 /nfs/dbraw/zinc/28/56/15/613285615.db2.gz XCCAIPUBQFNACN-VHSXEESVSA-N 1 0 279.296 -1.366 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957843650 613286193 /nfs/dbraw/zinc/28/61/93/613286193.db2.gz UWSXRUPJUKMHFZ-QWHCGFSZSA-N 1 0 275.308 -1.024 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958145858 613286234 /nfs/dbraw/zinc/28/62/34/613286234.db2.gz UAIPPVSUHOJCGA-CMPLNLGQSA-N 1 0 290.323 -1.069 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957845850 613286739 /nfs/dbraw/zinc/28/67/39/613286739.db2.gz CKKRBIBKRGSDAC-GXSJLCMTSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958163663 613287322 /nfs/dbraw/zinc/28/73/22/613287322.db2.gz FAEFWMSHNBKEDG-WDEREUQCSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC)n2)C1 ZINC000958040257 613287356 /nfs/dbraw/zinc/28/73/56/613287356.db2.gz BLHRFFUOWALIBP-CMPLNLGQSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958475139 613287488 /nfs/dbraw/zinc/28/74/88/613287488.db2.gz AAERLLXVZZJIOI-GXSJLCMTSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377799 613287524 /nfs/dbraw/zinc/28/75/24/613287524.db2.gz FBUDEGMTEJCFID-GXSJLCMTSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958350873 613288259 /nfs/dbraw/zinc/28/82/59/613288259.db2.gz VJIHZAICNMFARZ-MWLCHTKSSA-N 1 0 276.296 -1.574 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC000958484536 613288418 /nfs/dbraw/zinc/28/84/18/613288418.db2.gz ACMJEJCWYKBTLE-GHMZBOCLSA-N 1 0 293.323 -1.919 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC000958525818 613288461 /nfs/dbraw/zinc/28/84/61/613288461.db2.gz KFSAARGXSGEQFJ-ZYHUDNBSSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC000958303227 613288476 /nfs/dbraw/zinc/28/84/76/613288476.db2.gz CCNJAFYQLILRSP-NXEZZACHSA-N 1 0 263.301 -1.231 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC000958149084 613288604 /nfs/dbraw/zinc/28/86/04/613288604.db2.gz MVACRXFADXCJGS-ZYHUDNBSSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC000958318645 613288619 /nfs/dbraw/zinc/28/86/19/613288619.db2.gz FNYSWHXDANBUHA-LBELIVKGSA-N 1 0 264.325 -1.079 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC000958409512 613288952 /nfs/dbraw/zinc/28/89/52/613288952.db2.gz UMOJHRQUDKZOBI-BXKDBHETSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC000958271371 613290050 /nfs/dbraw/zinc/29/00/50/613290050.db2.gz CDFSCPNPUVMTGS-ZYHUDNBSSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC000958036972 613290313 /nfs/dbraw/zinc/29/03/13/613290313.db2.gz XQHOTSTXOAGFQM-MWLCHTKSSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cn(CC)nn2)[C@H](O)C1 ZINC000958547069 613290324 /nfs/dbraw/zinc/29/03/24/613290324.db2.gz FZMUTXPIQALYPF-ZYHUDNBSSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316311 613290698 /nfs/dbraw/zinc/29/06/98/613290698.db2.gz GSPDYMPDBXTMHQ-RKDXNWHRSA-N 1 0 264.289 -2.134 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957820734 613294005 /nfs/dbraw/zinc/29/40/05/613294005.db2.gz KCVVVKOSYYZGDF-QWRGUYRKSA-N 1 0 266.297 -1.083 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958318641 613294221 /nfs/dbraw/zinc/29/42/21/613294221.db2.gz FNYSWHXDANBUHA-IEECTRCBSA-N 1 0 264.325 -1.079 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958525816 613294407 /nfs/dbraw/zinc/29/44/07/613294407.db2.gz KFSAARGXSGEQFJ-JQWIXIFHSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377802 613295816 /nfs/dbraw/zinc/29/58/16/613295816.db2.gz FBUDEGMTEJCFID-ONGXEEELSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958475142 613295979 /nfs/dbraw/zinc/29/59/79/613295979.db2.gz AAERLLXVZZJIOI-ONGXEEELSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316310 613296220 /nfs/dbraw/zinc/29/62/20/613296220.db2.gz GSPDYMPDBXTMHQ-IUCAKERBSA-N 1 0 264.289 -2.134 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958031765 613296254 /nfs/dbraw/zinc/29/62/54/613296254.db2.gz WHCIMLRVMHPKJP-ONGXEEELSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977576218 613297138 /nfs/dbraw/zinc/29/71/38/613297138.db2.gz MGUBNFGCESDODE-JTQLQIEISA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974921987 613297409 /nfs/dbraw/zinc/29/74/09/613297409.db2.gz MDGAOEOFMBVEFC-LBPRGKRZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 ZINC000957820733 613302002 /nfs/dbraw/zinc/30/20/02/613302002.db2.gz KCVVVKOSYYZGDF-MNOVXSKESA-N 1 0 266.297 -1.083 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]nnc2C)C1 ZINC000958303231 613302446 /nfs/dbraw/zinc/30/24/46/613302446.db2.gz CCNJAFYQLILRSP-ZJUUUORDSA-N 1 0 263.301 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958014737 613302475 /nfs/dbraw/zinc/30/24/75/613302475.db2.gz IRACONRMPIRUCL-YPMHNXCESA-N 1 0 279.340 -1.493 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958145860 613302920 /nfs/dbraw/zinc/30/29/20/613302920.db2.gz UAIPPVSUHOJCGA-PWSUYJOCSA-N 1 0 290.323 -1.069 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC)n2)C1 ZINC000958040259 613303856 /nfs/dbraw/zinc/30/38/56/613303856.db2.gz BLHRFFUOWALIBP-PWSUYJOCSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2CC)C1 ZINC000958020691 613304154 /nfs/dbraw/zinc/30/41/54/613304154.db2.gz SHKZCKNPJWXTAC-PWSUYJOCSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958163661 613304173 /nfs/dbraw/zinc/30/41/73/613304173.db2.gz FAEFWMSHNBKEDG-MNOVXSKESA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958020156 613304508 /nfs/dbraw/zinc/30/45/08/613304508.db2.gz KQIYQHNNWZNATG-ZJUUUORDSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316308 613304514 /nfs/dbraw/zinc/30/45/14/613304514.db2.gz GSPDYMPDBXTMHQ-BDAKNGLRSA-N 1 0 264.289 -2.134 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978871048 613308248 /nfs/dbraw/zinc/30/82/48/613308248.db2.gz ZOXKCHQFWPKVJO-CNDDSTCGSA-N 1 0 289.335 -1.034 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000978702772 613309143 /nfs/dbraw/zinc/30/91/43/613309143.db2.gz GBSCACDWJJUGKJ-IEECTRCBSA-N 1 0 291.351 -1.054 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC000978594378 613309257 /nfs/dbraw/zinc/30/92/57/613309257.db2.gz OMIAKCYMWOZJSW-WISYIIOYSA-N 1 0 276.340 -1.063 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962042258 613313590 /nfs/dbraw/zinc/31/35/90/613313590.db2.gz NMFNEPPVZFFBBA-IWIIMEHWSA-N 1 0 275.308 -1.281 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962291753 613313995 /nfs/dbraw/zinc/31/39/95/613313995.db2.gz ZZDKNEQWJSEIQF-IWIIMEHWSA-N 1 0 290.323 -1.440 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961460841 613314008 /nfs/dbraw/zinc/31/40/08/613314008.db2.gz QHSHJICZRKUNNH-YABSGUDNSA-N 1 0 276.340 -1.902 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959978326 613314824 /nfs/dbraw/zinc/31/48/24/613314824.db2.gz ZLYYSUGVRJCMJS-JZYVYDRUSA-N 1 0 288.311 -1.943 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000962014392 613315455 /nfs/dbraw/zinc/31/54/55/613315455.db2.gz YFGMBGBNNUHDTR-WHOHXGKFSA-N 1 0 297.380 -1.300 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC000958611685 613315488 /nfs/dbraw/zinc/31/54/88/613315488.db2.gz QAVWZHBNBCGWDM-QNWHQSFQSA-N 1 0 263.341 -1.003 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000961468456 613315578 /nfs/dbraw/zinc/31/55/78/613315578.db2.gz POHJWILAVIGAAW-ZRUFSTJUSA-N 1 0 262.313 -1.310 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC000958611687 613316766 /nfs/dbraw/zinc/31/67/66/613316766.db2.gz QAVWZHBNBCGWDM-XQHKEYJVSA-N 1 0 263.341 -1.003 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000962014390 613316882 /nfs/dbraw/zinc/31/68/82/613316882.db2.gz YFGMBGBNNUHDTR-KXNHARMFSA-N 1 0 297.380 -1.300 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000961743656 613317121 /nfs/dbraw/zinc/31/71/21/613317121.db2.gz LGPVWTWUQBVEDV-RNWYCLNJSA-N 1 0 277.324 -1.301 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000962285148 613317852 /nfs/dbraw/zinc/31/78/52/613317852.db2.gz CHMVVLPJTUOCLK-GDGBQDQQSA-N 1 0 298.306 -1.289 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962536902 613320790 /nfs/dbraw/zinc/32/07/90/613320790.db2.gz VOKBFBYMPAXXQJ-JZYVYDRUSA-N 1 0 288.307 -1.221 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316668 613340183 /nfs/dbraw/zinc/34/01/83/613340183.db2.gz MHYZIYVTUUZUMC-NXEZZACHSA-N 1 0 280.332 -1.191 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316669 613341322 /nfs/dbraw/zinc/34/13/22/613341322.db2.gz MHYZIYVTUUZUMC-UWVGGRQHSA-N 1 0 280.332 -1.191 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316671 613343236 /nfs/dbraw/zinc/34/32/36/613343236.db2.gz MHYZIYVTUUZUMC-ZJUUUORDSA-N 1 0 280.332 -1.191 20 30 CAEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC000939276507 613427271 /nfs/dbraw/zinc/42/72/71/613427271.db2.gz GCJPQAREJCXVSE-NXEZZACHSA-N 1 0 292.343 -1.001 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328300 613548035 /nfs/dbraw/zinc/54/80/35/613548035.db2.gz DGXRRJXCJRRXSB-VHSXEESVSA-N 1 0 280.332 -1.191 20 30 CAEDRO C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328301 613558251 /nfs/dbraw/zinc/55/82/51/613558251.db2.gz DGXRRJXCJRRXSB-ZJUUUORDSA-N 1 0 280.332 -1.191 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015286 613612995 /nfs/dbraw/zinc/61/29/95/613612995.db2.gz KFMAPTBCGPAYEK-GXTWGEPZSA-N 1 0 293.367 -1.103 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329116 613613551 /nfs/dbraw/zinc/61/35/51/613613551.db2.gz SEMWLWKWFIQYMZ-VHSXEESVSA-N 1 0 278.316 -1.744 20 30 CAEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958480430 613615883 /nfs/dbraw/zinc/61/58/83/613615883.db2.gz ALHDMCXSOIBIBD-ZYHUDNBSSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356706 613618595 /nfs/dbraw/zinc/61/85/95/613618595.db2.gz RJAMTBKVMIMGJA-JQWIXIFHSA-N 1 0 290.323 -1.184 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026325 613619241 /nfs/dbraw/zinc/61/92/41/613619241.db2.gz ZXMIDSIURKPSKE-QWRGUYRKSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329115 613619412 /nfs/dbraw/zinc/61/94/12/613619412.db2.gz SEMWLWKWFIQYMZ-UWVGGRQHSA-N 1 0 278.316 -1.744 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958480429 613625699 /nfs/dbraw/zinc/62/56/99/613625699.db2.gz ALHDMCXSOIBIBD-PWSUYJOCSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329117 613626519 /nfs/dbraw/zinc/62/65/19/613626519.db2.gz SEMWLWKWFIQYMZ-ZJUUUORDSA-N 1 0 278.316 -1.744 20 30 CAEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673782 613628410 /nfs/dbraw/zinc/62/84/10/613628410.db2.gz NTFXOFHFRGCKKW-YFKTTZPYSA-N 1 0 276.340 -1.015 20 30 CAEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673778 613629207 /nfs/dbraw/zinc/62/92/07/613629207.db2.gz NTFXOFHFRGCKKW-WISYIIOYSA-N 1 0 276.340 -1.015 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000960342750 613634469 /nfs/dbraw/zinc/63/44/69/613634469.db2.gz BOSARJFMCBVQQP-MIZYBKAJSA-N 1 0 290.323 -1.346 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958184589 613635465 /nfs/dbraw/zinc/63/54/65/613635465.db2.gz DPDCIONHXNJURA-IAZYJMLFSA-N 1 0 260.301 -1.257 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960649482 613635586 /nfs/dbraw/zinc/63/55/86/613635586.db2.gz QQVDVLHECCMJFQ-PJXYFTJBSA-N 1 0 289.339 -1.349 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000961905755 613635695 /nfs/dbraw/zinc/63/56/95/613635695.db2.gz ICIXISKPIAWYOR-MIZYBKAJSA-N 1 0 290.323 -1.346 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962603580 613636261 /nfs/dbraw/zinc/63/62/61/613636261.db2.gz GSBWDCYLPMTNKJ-WHOHXGKFSA-N 1 0 297.380 -1.252 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962603578 613637523 /nfs/dbraw/zinc/63/75/23/613637523.db2.gz GSBWDCYLPMTNKJ-KXNHARMFSA-N 1 0 297.380 -1.252 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961634121 613637760 /nfs/dbraw/zinc/63/77/60/613637760.db2.gz BZQQIPVGMYKOOF-YTWAJWBKSA-N 1 0 262.313 -1.263 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968124550 613763564 /nfs/dbraw/zinc/76/35/64/613763564.db2.gz QKRGXNGMKIUTET-GHMZBOCLSA-N 1 0 294.355 -1.161 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968124551 613802527 /nfs/dbraw/zinc/80/25/27/613802527.db2.gz QKRGXNGMKIUTET-MNOVXSKESA-N 1 0 294.355 -1.161 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648687 613814302 /nfs/dbraw/zinc/81/43/02/613814302.db2.gz ACBMLYQPENMBKE-CMPLNLGQSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316449 613815836 /nfs/dbraw/zinc/81/58/36/613815836.db2.gz IOYFYADSWMAPTM-DTWKUNHWSA-N 1 0 266.305 -1.581 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958350752 613816959 /nfs/dbraw/zinc/81/69/59/613816959.db2.gz UJJZJBXMDNVYQS-MWLCHTKSSA-N 1 0 278.312 -1.022 20 30 CAEDRO C=CC[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC000958736482 613818353 /nfs/dbraw/zinc/81/83/53/613818353.db2.gz OZBWLLUJKLHEMH-ZYHUDNBSSA-N 1 0 294.355 -1.068 20 30 CAEDRO C=CC[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316451 613819320 /nfs/dbraw/zinc/81/93/20/613819320.db2.gz IOYFYADSWMAPTM-RKDXNWHRSA-N 1 0 266.305 -1.581 20 30 CAEDRO C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485957 613824028 /nfs/dbraw/zinc/82/40/28/613824028.db2.gz TUMLFXRNDCEBAY-QWRGUYRKSA-N 1 0 295.339 -1.366 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149809 613824502 /nfs/dbraw/zinc/82/45/02/613824502.db2.gz WQVCVWBKBRDXCM-JQWIXIFHSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958274696 613825617 /nfs/dbraw/zinc/82/56/17/613825617.db2.gz XAIHIOZATPHHTR-JQWIXIFHSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316448 613831778 /nfs/dbraw/zinc/83/17/78/613831778.db2.gz IOYFYADSWMAPTM-BDAKNGLRSA-N 1 0 266.305 -1.581 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961457975 613837643 /nfs/dbraw/zinc/83/76/43/613837643.db2.gz MGZDPMUXCWRJQO-YABSGUDNSA-N 1 0 278.356 -1.349 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959970351 613838770 /nfs/dbraw/zinc/83/87/70/613838770.db2.gz ATQHZFJIDRETPZ-JZYVYDRUSA-N 1 0 290.327 -1.391 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000961919116 613838841 /nfs/dbraw/zinc/83/88/41/613838841.db2.gz VPHYPSANGXMFGI-QCBRBAQYSA-N 1 0 278.312 -1.183 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962781446 613843618 /nfs/dbraw/zinc/84/36/18/613843618.db2.gz UCRKGCQJFRZUKZ-GDGBQDQQSA-N 1 0 290.327 -1.391 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CNC(=O)N1 ZINC001276202707 782189291 /nfs/dbraw/zinc/18/92/91/782189291.db2.gz KLUWZAGFILQDJU-VIFPVBQESA-N 1 0 296.331 -2.254 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001276203569 782189456 /nfs/dbraw/zinc/18/94/56/782189456.db2.gz TXJTYXVMHVKIGJ-SNVBAGLBSA-N 1 0 297.359 -1.592 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001020580702 656002898 /nfs/dbraw/zinc/00/28/98/656002898.db2.gz CVXKXCBMGJKUEA-XWLWVQCSSA-N 1 0 265.313 -1.111 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001020570498 656003046 /nfs/dbraw/zinc/00/30/46/656003046.db2.gz JQTSASARWCMURI-ZKCHVHJHSA-N 1 0 297.340 -1.459 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001020734127 656007611 /nfs/dbraw/zinc/00/76/11/656007611.db2.gz AWBNBNKVPLKKAV-VRDCYZRASA-N 1 0 290.323 -1.155 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001020764967 656007659 /nfs/dbraw/zinc/00/76/59/656007659.db2.gz SBBIIKOKIDAZSI-KYZUINATSA-N 1 0 264.285 -1.592 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001020885993 656008595 /nfs/dbraw/zinc/00/85/95/656008595.db2.gz GMDKWWQYCYZLOT-MGCOHNPYSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001021042886 656010063 /nfs/dbraw/zinc/01/00/63/656010063.db2.gz QFGUZHRADUNCOT-HAQNSBGRSA-N 1 0 299.396 -1.413 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021091861 656012734 /nfs/dbraw/zinc/01/27/34/656012734.db2.gz YEFMMAZOZNHUFZ-KYZUINATSA-N 1 0 278.316 -1.200 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001021141748 656014018 /nfs/dbraw/zinc/01/40/18/656014018.db2.gz BGRWKFGCYNRGNX-OPRDCNLKSA-N 1 0 263.297 -1.091 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001021141747 656014218 /nfs/dbraw/zinc/01/42/18/656014218.db2.gz BGRWKFGCYNRGNX-GUBZILKMSA-N 1 0 263.297 -1.091 20 30 CAEDRO C#CCNC(=O)CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933097464 656021918 /nfs/dbraw/zinc/02/19/18/656021918.db2.gz VMGMQRWTNRXONA-JTQLQIEISA-N 1 0 286.357 -2.040 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001022165720 656026158 /nfs/dbraw/zinc/02/61/58/656026158.db2.gz CWXMAJMXBRTSRM-PHIMTYICSA-N 1 0 290.323 -1.583 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001022133925 656026616 /nfs/dbraw/zinc/02/66/16/656026616.db2.gz JZUODFFUSNNGSV-AOOOYVTPSA-N 1 0 256.327 -1.099 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001022218648 656027102 /nfs/dbraw/zinc/02/71/02/656027102.db2.gz PLTAJEWUNMBWSQ-YIZRAAEISA-N 1 0 264.285 -1.546 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001022546391 656030715 /nfs/dbraw/zinc/03/07/15/656030715.db2.gz OVELZSIRGOTBMF-AEJSXWLSSA-N 1 0 250.302 -1.120 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001022546392 656030783 /nfs/dbraw/zinc/03/07/83/656030783.db2.gz OVELZSIRGOTBMF-KXUCPTDWSA-N 1 0 250.302 -1.120 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022783757 656035232 /nfs/dbraw/zinc/03/52/32/656035232.db2.gz VJEWFPBQEGAUQE-YIZRAAEISA-N 1 0 264.285 -1.546 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022803140 656035278 /nfs/dbraw/zinc/03/52/78/656035278.db2.gz BKAFHZHSOJEHLQ-DTORHVGOSA-N 1 0 294.311 -1.170 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001022841680 656035498 /nfs/dbraw/zinc/03/54/98/656035498.db2.gz AWBNBNKVPLKKAV-CTGWORPHSA-N 1 0 290.323 -1.155 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001022839603 656035826 /nfs/dbraw/zinc/03/58/26/656035826.db2.gz MMDBVSYKDVAFQC-AXFHLTTASA-N 1 0 285.369 -1.110 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001023035267 656041332 /nfs/dbraw/zinc/04/13/32/656041332.db2.gz BZFGJBZWIRADDA-PHIMTYICSA-N 1 0 277.328 -1.240 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023081625 656041946 /nfs/dbraw/zinc/04/19/46/656041946.db2.gz KMJRIGXTQZSSKW-DTORHVGOSA-N 1 0 276.296 -1.031 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023101331 656042780 /nfs/dbraw/zinc/04/27/80/656042780.db2.gz JUBAPSPLIHNYTC-AEJSXWLSSA-N 1 0 271.342 -1.452 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793798 656049404 /nfs/dbraw/zinc/04/94/04/656049404.db2.gz RFVMGOLSEQUZSX-QJPTWQEYSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793797 656049692 /nfs/dbraw/zinc/04/96/92/656049692.db2.gz RFVMGOLSEQUZSX-IJLUTSLNSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[NH+](C)CCN1CCN(C(=O)NCC#CCO)CC1=O ZINC000923764200 656055054 /nfs/dbraw/zinc/05/50/54/656055054.db2.gz IFLQUCATGUVXNR-UHFFFAOYSA-N 1 0 282.344 -1.603 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001019314603 656065725 /nfs/dbraw/zinc/06/57/25/656065725.db2.gz VBDGJUKMSFJGNL-UWVGGRQHSA-N 1 0 280.328 -1.551 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001019314604 656065748 /nfs/dbraw/zinc/06/57/48/656065748.db2.gz VBDGJUKMSFJGNL-VHSXEESVSA-N 1 0 280.328 -1.551 20 30 CAEDRO C[C@H](O)CN1CCN(C(=O)NCC#CCO)CC1 ZINC000923766533 656068570 /nfs/dbraw/zinc/06/85/70/656068570.db2.gz FECZXFBZMZUXSL-NSHDSACASA-N 1 0 255.318 -1.310 20 30 CAEDRO COC(=O)[C@H]1CN(C(=O)NCC#CCO)CC[N@H+](C)C1 ZINC000923767382 656068857 /nfs/dbraw/zinc/06/88/57/656068857.db2.gz HEDSDRIRCCDXEB-LLVKDONJSA-N 1 0 283.328 -1.272 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001027033850 656079191 /nfs/dbraw/zinc/07/91/91/656079191.db2.gz PMLDCVWFEWQVJS-WDEREUQCSA-N 1 0 294.355 -1.303 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028111144 656107004 /nfs/dbraw/zinc/10/70/04/656107004.db2.gz WKZQMXCSOWPXSP-VHSXEESVSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001028172709 656109578 /nfs/dbraw/zinc/10/95/78/656109578.db2.gz KIQWETOOCAHYMZ-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO CCC(=O)N1CC[C@H](NC(NCC(=O)NC)=[NH+]C)C1 ZINC000261664739 656111858 /nfs/dbraw/zinc/11/18/58/656111858.db2.gz BGRINZYGOAGLOC-VIFPVBQESA-N 1 0 269.349 -1.092 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326405 656113515 /nfs/dbraw/zinc/11/35/15/656113515.db2.gz SUHLIRNPCFDAMY-QWRGUYRKSA-N 1 0 285.369 -1.108 20 30 CAEDRO CS(=O)(=O)N1CC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000261770504 656116608 /nfs/dbraw/zinc/11/66/08/656116608.db2.gz GRVLITLXTMJOEB-SNVBAGLBSA-N 1 0 290.389 -1.085 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028773595 656121524 /nfs/dbraw/zinc/12/15/24/656121524.db2.gz MYTPRZGZYQTLIL-UWVGGRQHSA-N 1 0 250.302 -1.261 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028773599 656121835 /nfs/dbraw/zinc/12/18/35/656121835.db2.gz MYTPRZGZYQTLIL-ZJUUUORDSA-N 1 0 250.302 -1.261 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028990044 656123835 /nfs/dbraw/zinc/12/38/35/656123835.db2.gz CTVNYIBBZZGXON-QWRGUYRKSA-N 1 0 285.369 -1.251 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029001058 656124032 /nfs/dbraw/zinc/12/40/32/656124032.db2.gz PBQMEDOWIJIYAD-SNVBAGLBSA-N 1 0 290.327 -1.552 20 30 CAEDRO O=C(NCC#CCO)NCC[NH+]1CCC(O)CC1 ZINC000896145866 656128895 /nfs/dbraw/zinc/12/88/95/656128895.db2.gz LNNMKWGIZZXARZ-UHFFFAOYSA-N 1 0 255.318 -1.262 20 30 CAEDRO COCCNC(=[NH2+])NCC(C)(C)NS(C)(=O)=O ZINC000303993820 656132968 /nfs/dbraw/zinc/13/29/68/656132968.db2.gz OAYDGWVATCHBNG-UHFFFAOYSA-N 1 0 266.367 -1.135 20 30 CAEDRO C#CC[N@@H+](C)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000985569932 656133181 /nfs/dbraw/zinc/13/31/81/656133181.db2.gz BOCOBZICOKYGMP-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000986288379 656136468 /nfs/dbraw/zinc/13/64/68/656136468.db2.gz BOHUGHGLXRLHKV-NXEZZACHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000986450000 656136907 /nfs/dbraw/zinc/13/69/07/656136907.db2.gz ZYBHNSZLGCNYRJ-CHWSQXEVSA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000986449906 656136923 /nfs/dbraw/zinc/13/69/23/656136923.db2.gz ZLELPLJNDYBEAI-QWRGUYRKSA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000986450003 656136995 /nfs/dbraw/zinc/13/69/95/656136995.db2.gz ZYBHNSZLGCNYRJ-STQMWFEESA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC000986668229 656137554 /nfs/dbraw/zinc/13/75/54/656137554.db2.gz GHOGFGYKTCRULZ-NWDGAFQWSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC000987579025 656140559 /nfs/dbraw/zinc/14/05/59/656140559.db2.gz ZOJXJNSMXUJIJA-VHSXEESVSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000987579021 656140711 /nfs/dbraw/zinc/14/07/11/656140711.db2.gz ZOJXJNSMXUJIJA-NXEZZACHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000988860311 656146702 /nfs/dbraw/zinc/14/67/02/656146702.db2.gz KNVVIXQWVMBDBQ-VHSXEESVSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 ZINC000989062313 656147055 /nfs/dbraw/zinc/14/70/55/656147055.db2.gz INYSJXRTQXSPTM-MNOVXSKESA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 ZINC000989062314 656147071 /nfs/dbraw/zinc/14/70/71/656147071.db2.gz INYSJXRTQXSPTM-QWRGUYRKSA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000989066716 656147218 /nfs/dbraw/zinc/14/72/18/656147218.db2.gz CCESRYPYONQOLD-CHWSQXEVSA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCNC(=O)C2)C1 ZINC000989297063 656148383 /nfs/dbraw/zinc/14/83/83/656148383.db2.gz YBARNRBITHQDII-NWDGAFQWSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCNC(=O)C2)C1 ZINC000989297062 656148499 /nfs/dbraw/zinc/14/84/99/656148499.db2.gz YBARNRBITHQDII-NEPJUHHUSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC000989766186 656152268 /nfs/dbraw/zinc/15/22/68/656152268.db2.gz OINIOMUXLBKVDT-NXEZZACHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CCN1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000989738674 656152464 /nfs/dbraw/zinc/15/24/64/656152464.db2.gz HRLRHMKLFDYURT-UHFFFAOYSA-N 1 0 290.327 -1.456 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000989832844 656152814 /nfs/dbraw/zinc/15/28/14/656152814.db2.gz YWOIZSILKBBYPU-NXEZZACHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000990615649 656163046 /nfs/dbraw/zinc/16/30/46/656163046.db2.gz DTUAXPJHUFEGRX-KOLCDFICSA-N 1 0 280.328 -1.196 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000900505365 656168173 /nfs/dbraw/zinc/16/81/73/656168173.db2.gz UBXRKCDGAPRBLJ-UHFFFAOYSA-N 1 0 290.389 -1.158 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000907649600 656201169 /nfs/dbraw/zinc/20/11/69/656201169.db2.gz XNVIUGKSJWNERH-GFCCVEGCSA-N 1 0 255.318 -1.057 20 30 CAEDRO CN1CC[N@H+](C)CC(C(=O)NCCn2cnc(C#N)n2)C1 ZINC000908159343 656208106 /nfs/dbraw/zinc/20/81/06/656208106.db2.gz HKGXISIPMSVOLK-UHFFFAOYSA-N 1 0 291.359 -1.241 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CCNC(=O)CO ZINC000908436670 656214451 /nfs/dbraw/zinc/21/44/51/656214451.db2.gz HADBLFWTKOFIIB-UHFFFAOYSA-N 1 0 255.318 -1.444 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911236320 656238104 /nfs/dbraw/zinc/23/81/04/656238104.db2.gz PMMSWFIGGWCDSN-NSHDSACASA-N 1 0 282.344 -1.227 20 30 CAEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C1=O ZINC000911504340 656248873 /nfs/dbraw/zinc/24/88/73/656248873.db2.gz XRUKDAWUJQIESL-SNVBAGLBSA-N 1 0 294.355 -1.161 20 30 CAEDRO Cn1cc(C(=O)NCC#CC[NH+](C)C)c(=O)[nH]c1=O ZINC000913517036 656283455 /nfs/dbraw/zinc/28/34/55/656283455.db2.gz PRUJUMZNINNDFT-UHFFFAOYSA-N 1 0 264.285 -1.219 20 30 CAEDRO Cn1cc(S(N)(=O)=O)cc1C(=O)NCC#CC[NH+](C)C ZINC000913515640 656283487 /nfs/dbraw/zinc/28/34/87/656283487.db2.gz GUTHBELBIWRZTI-UHFFFAOYSA-N 1 0 298.368 -1.033 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000913522862 656283507 /nfs/dbraw/zinc/28/35/07/656283507.db2.gz CCCKTNATPBAMQW-GFCCVEGCSA-N 1 0 280.328 -1.469 20 30 CAEDRO CN1CC[C@@H](C(=O)NCC#CC[NH+](C)C)S1(=O)=O ZINC000913523774 656283565 /nfs/dbraw/zinc/28/35/65/656283565.db2.gz LTEOONNYBAVYOF-JTQLQIEISA-N 1 0 273.358 -1.299 20 30 CAEDRO Cc1nn(CC(=O)NCC#CC[NH+](C)C)c(=O)o1 ZINC000913524522 656283600 /nfs/dbraw/zinc/28/36/00/656283600.db2.gz PRYHPWMAWIWKPP-UHFFFAOYSA-N 1 0 252.274 -1.174 20 30 CAEDRO CN1C(=O)CN(CC(=O)NCC#CC[NH+](C)C)C1=O ZINC000913524339 656283675 /nfs/dbraw/zinc/28/36/75/656283675.db2.gz JCFFHSJBTHBXMD-UHFFFAOYSA-N 1 0 266.301 -1.438 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CCCN1C(=O)CNC1=O ZINC000913514927 656283699 /nfs/dbraw/zinc/28/36/99/656283699.db2.gz AZPNAFLETBTDKZ-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1CCNC(=O)C1 ZINC000913524236 656283772 /nfs/dbraw/zinc/28/37/72/656283772.db2.gz FFNSIGJEGMALTI-UHFFFAOYSA-N 1 0 252.318 -1.901 20 30 CAEDRO CN1CC(=O)N(CC(=O)NCC#CC[NH+](C)C)C1=O ZINC000913515680 656283793 /nfs/dbraw/zinc/28/37/93/656283793.db2.gz IKJQMLUNXSBFCW-UHFFFAOYSA-N 1 0 266.301 -1.438 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC1CN(CC(N)=O)C1 ZINC001030464446 656313250 /nfs/dbraw/zinc/31/32/50/656313250.db2.gz TZJICFPORKYCLX-NSHDSACASA-N 1 0 264.329 -1.630 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H](C)C(N)=O)C1 ZINC001030463402 656313524 /nfs/dbraw/zinc/31/35/24/656313524.db2.gz LWGUMQOLXQCNJE-JQWIXIFHSA-N 1 0 278.356 -1.242 20 30 CAEDRO CC(C)NS(=O)(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000170913010 656317925 /nfs/dbraw/zinc/31/79/25/656317925.db2.gz SPXQFYXGTMSIQY-UHFFFAOYSA-N 1 0 278.378 -1.039 20 30 CAEDRO COCCNC(=[NH2+])NCCS(=O)(=O)NC(C)C ZINC000171042486 656320163 /nfs/dbraw/zinc/32/01/63/656320163.db2.gz DWMGPCMABOJFOU-UHFFFAOYSA-N 1 0 266.367 -1.135 20 30 CAEDRO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000917951630 656370714 /nfs/dbraw/zinc/37/07/14/656370714.db2.gz CEEFNQFPLLLHBK-NWDGAFQWSA-N 1 0 268.361 -1.084 20 30 CAEDRO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000917951631 656370980 /nfs/dbraw/zinc/37/09/80/656370980.db2.gz CEEFNQFPLLLHBK-RYUDHWBXSA-N 1 0 268.361 -1.084 20 30 CAEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC#CCO ZINC000923758968 656371011 /nfs/dbraw/zinc/37/10/11/656371011.db2.gz OHDFSWURLUAQLI-NSHDSACASA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031943304 656409927 /nfs/dbraw/zinc/40/99/27/656409927.db2.gz ZODWOBMQATYJTQ-SNVBAGLBSA-N 1 0 250.302 -1.261 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032015783 656459365 /nfs/dbraw/zinc/45/93/65/656459365.db2.gz PUUKBTVDKGFNRB-VIFPVBQESA-N 1 0 266.301 -1.182 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001032022118 656460170 /nfs/dbraw/zinc/46/01/70/656460170.db2.gz ZDPUIKWMTGUHQX-UHFFFAOYSA-N 1 0 292.339 -1.068 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCC2CN(CC(N)=O)C2)CC1 ZINC001032207214 656472168 /nfs/dbraw/zinc/47/21/68/656472168.db2.gz HPULGVDIDBFSIU-UHFFFAOYSA-N 1 0 292.383 -1.135 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032206360 656472355 /nfs/dbraw/zinc/47/23/55/656472355.db2.gz YDHUXFBIYWXTGY-UHFFFAOYSA-N 1 0 278.316 -1.389 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC1(C)C ZINC000996424202 656490050 /nfs/dbraw/zinc/49/00/50/656490050.db2.gz FZZOSPOLYSXSGL-SNVBAGLBSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 ZINC001032486887 656512514 /nfs/dbraw/zinc/51/25/14/656512514.db2.gz YTTSUAPQHBBVAA-STQMWFEESA-N 1 0 290.367 -1.321 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000998919725 656562771 /nfs/dbraw/zinc/56/27/71/656562771.db2.gz PWGJXVRQKVRVLU-RTBKNWGFSA-N 1 0 278.312 -1.203 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000999203120 656568233 /nfs/dbraw/zinc/56/82/33/656568233.db2.gz YLPPUQZJMVRHDD-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000999322307 656572094 /nfs/dbraw/zinc/57/20/94/656572094.db2.gz GGTSEWGLANFTGO-UDNWOFFPSA-N 1 0 250.302 -1.120 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)NC1=O ZINC001032687263 656573052 /nfs/dbraw/zinc/57/30/52/656573052.db2.gz YVAVKVWZUDKEJM-QWRGUYRKSA-N 1 0 290.323 -1.153 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000999887990 656583825 /nfs/dbraw/zinc/58/38/25/656583825.db2.gz ZONMICIJOLRHLA-LBPRGKRZSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000999887988 656584470 /nfs/dbraw/zinc/58/44/70/656584470.db2.gz ZONMICIJOLRHLA-GFCCVEGCSA-N 1 0 278.356 -1.368 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053456 656592154 /nfs/dbraw/zinc/59/21/54/656592154.db2.gz SNYNEDOSXBIPAQ-QWRGUYRKSA-N 1 0 294.355 -1.161 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053454 656592423 /nfs/dbraw/zinc/59/24/23/656592423.db2.gz SNYNEDOSXBIPAQ-GHMZBOCLSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000037899 656595644 /nfs/dbraw/zinc/59/56/44/656595644.db2.gz MBZLILAWFURBLB-NXEZZACHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001000329049 656605476 /nfs/dbraw/zinc/60/54/76/656605476.db2.gz NKMMQJGXAIFOMT-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001000329046 656605713 /nfs/dbraw/zinc/60/57/13/656605713.db2.gz NKMMQJGXAIFOMT-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001000868769 656613419 /nfs/dbraw/zinc/61/34/19/656613419.db2.gz ZTRKYEWCQJQJNE-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001000956749 656615068 /nfs/dbraw/zinc/61/50/68/656615068.db2.gz GASHTBQAPNQYNJ-QWRGUYRKSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001000956746 656615502 /nfs/dbraw/zinc/61/55/02/656615502.db2.gz GASHTBQAPNQYNJ-MNOVXSKESA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001217435 656618506 /nfs/dbraw/zinc/61/85/06/656618506.db2.gz YTDNSVBNOVPWMA-NSHDSACASA-N 1 0 290.323 -1.034 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001002863185 656636172 /nfs/dbraw/zinc/63/61/72/656636172.db2.gz RUPUANDRPOSBPU-UHFFFAOYSA-N 1 0 290.327 -1.409 20 30 CAEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)CCOCCO ZINC000922112561 656641123 /nfs/dbraw/zinc/64/11/23/656641123.db2.gz GLBOPOJQSXPQCG-GFCCVEGCSA-N 1 0 260.334 -1.020 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001003806570 656665722 /nfs/dbraw/zinc/66/57/22/656665722.db2.gz WRZJOZIBSWNGJO-UHFFFAOYSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004167400 656680092 /nfs/dbraw/zinc/68/00/92/656680092.db2.gz PJEURUFQWKAASS-NSHDSACASA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033158264 656690819 /nfs/dbraw/zinc/69/08/19/656690819.db2.gz XVGHWESVVUWNOK-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033463528 656715083 /nfs/dbraw/zinc/71/50/83/656715083.db2.gz PKGIZXXONRUYMF-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507440 656716619 /nfs/dbraw/zinc/71/66/19/656716619.db2.gz GHIOQLKEUHGHGY-SNVBAGLBSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033643799 656726543 /nfs/dbraw/zinc/72/65/43/656726543.db2.gz FWEIUQRAGLDOBL-JTQLQIEISA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671711 656726988 /nfs/dbraw/zinc/72/69/88/656726988.db2.gz PQRXODQBQDUXDT-GHMZBOCLSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001036140172 656788963 /nfs/dbraw/zinc/78/89/63/656788963.db2.gz BTLCTXWYNJQVRX-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC001036215365 656791142 /nfs/dbraw/zinc/79/11/42/656791142.db2.gz RJLHKZUMHQWSBG-WDEREUQCSA-N 1 0 292.339 -1.002 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710823134 656795093 /nfs/dbraw/zinc/79/50/93/656795093.db2.gz LFMGIPQGJVSLNJ-LBPRGKRZSA-N 1 0 271.317 -1.590 20 30 CAEDRO C#CC[NH+]1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC001005817115 656800184 /nfs/dbraw/zinc/80/01/84/656800184.db2.gz KNZPEXLFTACFPM-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CCNCC[NH2+]CC1 ZINC000923464926 656805359 /nfs/dbraw/zinc/80/53/59/656805359.db2.gz SJCZHDIMCSKYAY-LLVKDONJSA-N 1 0 283.376 -1.119 20 30 CAEDRO C[NH2+]C[C@@](C)(O)CN1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000923532145 656805879 /nfs/dbraw/zinc/80/58/79/656805879.db2.gz ZXOLPAAWECHLBS-UTUOFQBUSA-N 1 0 287.385 -1.173 20 30 CAEDRO C[NH2+]C[C@](C)(O)CN1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000923532149 656806451 /nfs/dbraw/zinc/80/64/51/656806451.db2.gz ZXOLPAAWECHLBS-WOPDTQHZSA-N 1 0 287.385 -1.173 20 30 CAEDRO N#CCCN1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923667838 656813171 /nfs/dbraw/zinc/81/31/71/656813171.db2.gz WVODKQZNZNBINT-UHFFFAOYSA-N 1 0 287.389 -1.332 20 30 CAEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926406788 656822793 /nfs/dbraw/zinc/82/27/93/656822793.db2.gz MEUFUDFZSZIXSM-AWEZNQCLSA-N 1 0 293.371 -1.230 20 30 CAEDRO C=CCN(CCOC)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926357872 656822941 /nfs/dbraw/zinc/82/29/41/656822941.db2.gz KUSOMZHWYAZSJT-CQSZACIVSA-N 1 0 299.371 -1.040 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC000928659785 656827580 /nfs/dbraw/zinc/82/75/80/656827580.db2.gz BNLBUDAFHUIOBG-UHFFFAOYSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC000928653248 656827932 /nfs/dbraw/zinc/82/79/32/656827932.db2.gz FSHIBODLMGZBNT-UHFFFAOYSA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC000928654544 656827996 /nfs/dbraw/zinc/82/79/96/656827996.db2.gz GWZNSJLYXLEYKJ-UHFFFAOYSA-N 1 0 277.328 -1.204 20 30 CAEDRO C[NH+](C)CC(=O)N1CCN(C[C@H](O)CC#N)CC1 ZINC000929258980 656828772 /nfs/dbraw/zinc/82/87/72/656828772.db2.gz LOTKWWYBTOFYGA-LLVKDONJSA-N 1 0 254.334 -1.033 20 30 CAEDRO C[NH+](C)CCN1CCN(C[C@H](O)CC#N)CC1=O ZINC000930847442 656842231 /nfs/dbraw/zinc/84/22/31/656842231.db2.gz HRIXFBCDUCQDEC-LLVKDONJSA-N 1 0 254.334 -1.033 20 30 CAEDRO C#CCN(C[C@H](O)CO)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000931589803 656846429 /nfs/dbraw/zinc/84/64/29/656846429.db2.gz DJORPBDNCJLHSD-KBPBESRZSA-N 1 0 286.372 -1.908 20 30 CAEDRO C#CCN(C[C@@H](O)CO)C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000931589805 656847178 /nfs/dbraw/zinc/84/71/78/656847178.db2.gz DJORPBDNCJLHSD-ZIAGYGMSSA-N 1 0 286.372 -1.908 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)c[nH]1 ZINC000957979011 656939062 /nfs/dbraw/zinc/93/90/62/656939062.db2.gz KPZGPFWNRMHERX-PWSUYJOCSA-N 1 0 278.312 -1.099 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)c[nH]1 ZINC000957979012 656939562 /nfs/dbraw/zinc/93/95/62/656939562.db2.gz KPZGPFWNRMHERX-ZYHUDNBSSA-N 1 0 278.312 -1.099 20 30 CAEDRO COC[C@@H](C)NC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000303976745 656982552 /nfs/dbraw/zinc/98/25/52/656982552.db2.gz KNLXWNCLMSVIHN-SECBINFHSA-N 1 0 278.378 -1.039 20 30 CAEDRO CS(=O)(=O)NCCCNC(=[NH2+])N1CCOCC1 ZINC000303899329 656983529 /nfs/dbraw/zinc/98/35/29/656983529.db2.gz RNZQPZYTIMYMGJ-UHFFFAOYSA-N 1 0 264.351 -1.427 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)C(N)=O ZINC000303869603 656983583 /nfs/dbraw/zinc/98/35/83/656983583.db2.gz DZAQGZHHKKZFLR-UHFFFAOYSA-N 1 0 285.392 -1.005 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963453020 657025596 /nfs/dbraw/zinc/02/55/96/657025596.db2.gz RFVMGOLSEQUZSX-UTUOFQBUSA-N 1 0 294.355 -1.070 20 30 CAEDRO C#CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007372457 657064019 /nfs/dbraw/zinc/06/40/19/657064019.db2.gz MMLARBYOAXJZMF-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011314669 657108230 /nfs/dbraw/zinc/10/82/30/657108230.db2.gz CCWIZXSBGXPKNV-NSHDSACASA-N 1 0 292.339 -1.760 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489143 657147153 /nfs/dbraw/zinc/14/71/53/657147153.db2.gz BFJDUBBDINWEBV-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489150 657147563 /nfs/dbraw/zinc/14/75/63/657147563.db2.gz BFJDUBBDINWEBV-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015001011 657158520 /nfs/dbraw/zinc/15/85/20/657158520.db2.gz SJYFVLNHKVQHOF-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015009570 657159131 /nfs/dbraw/zinc/15/91/31/657159131.db2.gz PETOXEQCBJDRPN-LLVKDONJSA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015632692 657176512 /nfs/dbraw/zinc/17/65/12/657176512.db2.gz ARUQARQDBBRJBI-NXEZZACHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015632695 657177063 /nfs/dbraw/zinc/17/70/63/657177063.db2.gz ARUQARQDBBRJBI-ZJUUUORDSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015632694 657177505 /nfs/dbraw/zinc/17/75/05/657177505.db2.gz ARUQARQDBBRJBI-VHSXEESVSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770044 657186764 /nfs/dbraw/zinc/18/67/64/657186764.db2.gz KVWDBTRUASCTAY-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015790337 657187862 /nfs/dbraw/zinc/18/78/62/657187862.db2.gz HXBLEWHXSGEFPB-SECBINFHSA-N 1 0 294.311 -1.217 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865644 657190511 /nfs/dbraw/zinc/19/05/11/657190511.db2.gz CEJDGZDIKCVXLQ-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016282988 657206642 /nfs/dbraw/zinc/20/66/42/657206642.db2.gz FQYFCIZKLODTIS-MNOVXSKESA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341605 657209076 /nfs/dbraw/zinc/20/90/76/657209076.db2.gz RCMDAHQESSIQJH-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001017337785 657218757 /nfs/dbraw/zinc/21/87/57/657218757.db2.gz SRQTYMCMCTXZHY-PHIMTYICSA-N 1 0 260.301 -1.019 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018647112 657235489 /nfs/dbraw/zinc/23/54/89/657235489.db2.gz QKRGXNGMKIUTET-WDEREUQCSA-N 1 0 294.355 -1.161 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018633553 657237943 /nfs/dbraw/zinc/23/79/43/657237943.db2.gz XSCCJSNWNBCXQJ-ZJUUUORDSA-N 1 0 293.327 -1.112 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001018938166 657250317 /nfs/dbraw/zinc/25/03/17/657250317.db2.gz CJKNSLUTGWVQLU-NSHDSACASA-N 1 0 292.339 -1.077 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018984213 657251381 /nfs/dbraw/zinc/25/13/81/657251381.db2.gz VHAJIYWGFYNNEW-IUCAKERBSA-N 1 0 264.285 -1.592 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001019063435 657252753 /nfs/dbraw/zinc/25/27/53/657252753.db2.gz RQJSWTJPOLMFJD-JTQLQIEISA-N 1 0 265.317 -1.042 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001019063139 657253159 /nfs/dbraw/zinc/25/31/59/657253159.db2.gz BQNVHQYKUQKLNC-JTQLQIEISA-N 1 0 263.301 -1.595 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001019062348 657253674 /nfs/dbraw/zinc/25/36/74/657253674.db2.gz QCCDPKNEEVFSCG-LBPRGKRZSA-N 1 0 278.356 -1.416 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001019181459 657254802 /nfs/dbraw/zinc/25/48/02/657254802.db2.gz JXZFQFCJXMQSNE-UWVGGRQHSA-N 1 0 299.352 -2.277 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001019358452 657266184 /nfs/dbraw/zinc/26/61/84/657266184.db2.gz FIJWTIXPQMBWOR-QMMMGPOBSA-N 1 0 297.340 -1.506 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019444294 657266845 /nfs/dbraw/zinc/26/68/45/657266845.db2.gz RBSHRCOXDLNCSS-IUCAKERBSA-N 1 0 264.285 -1.592 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001019461552 657267056 /nfs/dbraw/zinc/26/70/56/657267056.db2.gz XVVPSNXAZWBHMW-VIFPVBQESA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019444225 657267252 /nfs/dbraw/zinc/26/72/52/657267252.db2.gz NGGUIZKPPMFLEF-IUCAKERBSA-N 1 0 266.301 -1.039 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001019460952 657268099 /nfs/dbraw/zinc/26/80/99/657268099.db2.gz ABELOLKQYMHMNG-VIFPVBQESA-N 1 0 292.295 -1.769 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001019522401 657270433 /nfs/dbraw/zinc/27/04/33/657270433.db2.gz BKSHDYGLCDKZGR-NSHDSACASA-N 1 0 290.323 -1.250 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527875 657271839 /nfs/dbraw/zinc/27/18/39/657271839.db2.gz ZJGLIFUAWJBDNM-VIFPVBQESA-N 1 0 266.301 -1.085 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001019747808 657277927 /nfs/dbraw/zinc/27/79/27/657277927.db2.gz ITKCMOJMHBNIMI-JTQLQIEISA-N 1 0 278.312 -1.296 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019749071 657278477 /nfs/dbraw/zinc/27/84/77/657278477.db2.gz VJDYQKTVMHXADE-VIFPVBQESA-N 1 0 266.301 -1.085 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001019892323 657282446 /nfs/dbraw/zinc/28/24/46/657282446.db2.gz FJPWGZGFTFUOGZ-ZJUUUORDSA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001020250071 657291808 /nfs/dbraw/zinc/29/18/08/657291808.db2.gz PLTAJEWUNMBWSQ-CIUDSAMLSA-N 1 0 264.285 -1.546 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020250588 657292316 /nfs/dbraw/zinc/29/23/16/657292316.db2.gz IWMZYSAXVYZQFL-SRVKXCTJSA-N 1 0 278.356 -1.194 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001020215211 657292404 /nfs/dbraw/zinc/29/24/04/657292404.db2.gz LDKRWWTUABJJQR-XYPYZODXSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001020324636 657293050 /nfs/dbraw/zinc/29/30/50/657293050.db2.gz CNZBHYYUNOVEJY-HAQNSBGRSA-N 1 0 278.356 -1.370 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCN(C)[C@@H](CO)C1 ZINC000687605824 782198237 /nfs/dbraw/zinc/19/82/37/782198237.db2.gz MZOSISUIAYOYDV-SNVBAGLBSA-N 1 0 270.333 -1.394 20 30 CAEDRO CSCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258202820 782201021 /nfs/dbraw/zinc/20/10/21/782201021.db2.gz WOXKWPLRYTXFDY-FBDQPXRJSA-N 1 0 281.374 -1.640 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692498 782209780 /nfs/dbraw/zinc/20/97/80/782209780.db2.gz ILMFAHYAHWDMGA-URLYPYJESA-N 1 0 290.327 -1.480 20 30 CAEDRO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114774955 782213702 /nfs/dbraw/zinc/21/37/02/782213702.db2.gz XLQSCONXOSQYPO-YABSGUDNSA-N 1 0 293.371 -1.376 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838310 782214902 /nfs/dbraw/zinc/21/49/02/782214902.db2.gz VXBUTVORXCWZBZ-FHUSYTEZSA-N 1 0 291.351 -1.196 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114764292 782214124 /nfs/dbraw/zinc/21/41/24/782214124.db2.gz RDWTVTFKLSHYIZ-GDNZZTSVSA-N 1 0 291.351 -1.052 20 30 CAEDRO C=C[C@@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253602814 782225743 /nfs/dbraw/zinc/22/57/43/782225743.db2.gz MANZJAMOLWQKOK-LLVKDONJSA-N 1 0 277.390 -1.300 20 30 CAEDRO C=C[C@H](O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001253611399 782226590 /nfs/dbraw/zinc/22/65/90/782226590.db2.gz OXYZWSNKZZELFV-ZETCQYMHSA-N 1 0 258.278 -3.159 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001114886446 782222769 /nfs/dbraw/zinc/22/27/69/782222769.db2.gz VRAKWKDXLHTGJF-ZNSHCXBVSA-N 1 0 285.369 -1.396 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001114886445 782222930 /nfs/dbraw/zinc/22/29/30/782222930.db2.gz VRAKWKDXLHTGJF-UKKRHICBSA-N 1 0 285.369 -1.396 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000381377390 782240524 /nfs/dbraw/zinc/24/05/24/782240524.db2.gz JZEITCOXHGFSTD-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C=CCNC(=O)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000393767694 782240955 /nfs/dbraw/zinc/24/09/55/782240955.db2.gz QPYDYNBSBYEIBA-UHFFFAOYSA-N 1 0 262.335 -1.972 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039022810 782264456 /nfs/dbraw/zinc/26/44/56/782264456.db2.gz GJDVGYDKQRJFML-MNOVXSKESA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001039022812 782264482 /nfs/dbraw/zinc/26/44/82/782264482.db2.gz GJDVGYDKQRJFML-WDEREUQCSA-N 1 0 285.369 -1.108 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042096797 782324341 /nfs/dbraw/zinc/32/43/41/782324341.db2.gz BPEBIKSTPQXSJB-QWRGUYRKSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045710268 782430512 /nfs/dbraw/zinc/43/05/12/782430512.db2.gz HGVIWNQCGYGIOH-JTQLQIEISA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001045551167 782426955 /nfs/dbraw/zinc/42/69/55/782426955.db2.gz GAEWQMOIGZLKRW-SNVBAGLBSA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001045551164 782427624 /nfs/dbraw/zinc/42/76/24/782427624.db2.gz GAEWQMOIGZLKRW-JTQLQIEISA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001045555195 782428788 /nfs/dbraw/zinc/42/87/88/782428788.db2.gz OIVIPNFJIVDKPZ-MNOVXSKESA-N 1 0 294.355 -1.213 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046017090 782432424 /nfs/dbraw/zinc/43/24/24/782432424.db2.gz LTOBCZHEEBJJES-GFCCVEGCSA-N 1 0 278.356 -1.287 20 30 CAEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046588627 782443674 /nfs/dbraw/zinc/44/36/74/782443674.db2.gz QLTMMFQLBKOITC-JOYOIKCWSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046663763 782444321 /nfs/dbraw/zinc/44/43/21/782444321.db2.gz FUMWWYCQILVYMF-ZANVPECISA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046588625 782444384 /nfs/dbraw/zinc/44/43/84/782444384.db2.gz QLTMMFQLBKOITC-BXKDBHETSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001047326289 782460342 /nfs/dbraw/zinc/46/03/42/782460342.db2.gz RPAVDTWIRRMZNX-WOPDTQHZSA-N 1 0 279.340 -1.208 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C)C1 ZINC001047355793 782465494 /nfs/dbraw/zinc/46/54/94/782465494.db2.gz KTXCIKKRJIEURJ-IHRRRGAJSA-N 1 0 295.383 -1.156 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001047367704 782467317 /nfs/dbraw/zinc/46/73/17/782467317.db2.gz KSRBJWOEBNLPQA-DCAQKATOSA-N 1 0 281.312 -1.378 20 30 CAEDRO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047337820 782462588 /nfs/dbraw/zinc/46/25/88/782462588.db2.gz KHSDMHIWRPSOHR-RYUDHWBXSA-N 1 0 278.312 -1.004 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001047371298 782470556 /nfs/dbraw/zinc/47/05/56/782470556.db2.gz WLEUGGMYFOXXJH-RYUDHWBXSA-N 1 0 277.328 -1.045 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381690 782470897 /nfs/dbraw/zinc/47/08/97/782470897.db2.gz PWJLQUJTLZRJDM-QWRGUYRKSA-N 1 0 280.332 -1.247 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001047483061 782480081 /nfs/dbraw/zinc/48/00/81/782480081.db2.gz VHORGJQJIAWROD-DCAQKATOSA-N 1 0 267.329 -1.188 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001047440295 782478454 /nfs/dbraw/zinc/47/84/54/782478454.db2.gz GOTLLJAFDKADCD-QWRGUYRKSA-N 1 0 263.301 -1.055 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001047493987 782483071 /nfs/dbraw/zinc/48/30/71/782483071.db2.gz DROCXUVMIWGBTL-AVGNSLFASA-N 1 0 293.367 -1.009 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001047493986 782483499 /nfs/dbraw/zinc/48/34/99/782483499.db2.gz DROCXUVMIWGBTL-AGIUHOORSA-N 1 0 293.367 -1.009 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001047489457 782483905 /nfs/dbraw/zinc/48/39/05/782483905.db2.gz UWHJCBJTYZZPBV-UWVGGRQHSA-N 1 0 278.316 -1.650 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047507273 782486007 /nfs/dbraw/zinc/48/60/07/782486007.db2.gz NJPUMFDWVCYGSX-DCAQKATOSA-N 1 0 280.328 -1.805 20 30 CAEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001047490018 782482566 /nfs/dbraw/zinc/48/25/66/782482566.db2.gz FWUMEWVAZRKKHG-UWVGGRQHSA-N 1 0 280.332 -1.097 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047567388 782492570 /nfs/dbraw/zinc/49/25/70/782492570.db2.gz HHDKZSQVMSDQJC-UWVGGRQHSA-N 1 0 296.327 -1.772 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001047531300 782490898 /nfs/dbraw/zinc/49/08/98/782490898.db2.gz LFBSAXKEFUNEOE-RHYQMDGZSA-N 1 0 279.340 -1.365 20 30 CAEDRO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047627132 782501412 /nfs/dbraw/zinc/50/14/12/782501412.db2.gz LBPWQBAGEOGICI-WOPDTQHZSA-N 1 0 266.345 -1.035 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001047635141 782499225 /nfs/dbraw/zinc/49/92/25/782499225.db2.gz SVJZITKJYYEYMH-MELADBBJSA-N 1 0 295.383 -1.156 20 30 CAEDRO CCN1CCO[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 ZINC001047634544 782500554 /nfs/dbraw/zinc/50/05/54/782500554.db2.gz KPQPXRHGIFUJKW-AVGNSLFASA-N 1 0 296.371 -1.266 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047621481 782500667 /nfs/dbraw/zinc/50/06/67/782500667.db2.gz QINCZLPUGKAWHI-UWVGGRQHSA-N 1 0 294.311 -2.325 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001047650450 782502188 /nfs/dbraw/zinc/50/21/88/782502188.db2.gz WJMQUWNGFKLDSV-DCAQKATOSA-N 1 0 295.339 -1.271 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822124 782519721 /nfs/dbraw/zinc/51/97/21/782519721.db2.gz QVZKUEUKKHYMLY-PHIMTYICSA-N 1 0 260.301 -1.304 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118478 782528468 /nfs/dbraw/zinc/52/84/68/782528468.db2.gz YPGMRILSAKTQRQ-PHIMTYICSA-N 1 0 290.323 -1.438 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096503625 782531834 /nfs/dbraw/zinc/53/18/34/782531834.db2.gz KGJPYCOSSIJSAC-VWYCJHECSA-N 1 0 290.323 -1.107 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049220454 782533103 /nfs/dbraw/zinc/53/31/03/782533103.db2.gz NAWSLHXUCUVPAX-TUAOUCFPSA-N 1 0 297.380 -1.299 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001272363744 775898867 /nfs/dbraw/zinc/89/88/67/775898867.db2.gz ZPMBXBJXJCHILD-MWLCHTKSSA-N 1 0 255.318 -1.399 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001272406820 775906655 /nfs/dbraw/zinc/90/66/55/775906655.db2.gz QRHPJEMEHATITK-BDAKNGLRSA-N 1 0 257.290 -1.262 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128608980 776200136 /nfs/dbraw/zinc/20/01/36/776200136.db2.gz IZMDGCQBTCKPTG-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001133516041 776780825 /nfs/dbraw/zinc/78/08/25/776780825.db2.gz VHERJZOEMFNCDG-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132738672 776749048 /nfs/dbraw/zinc/74/90/48/776749048.db2.gz IRBHKROZHWKBMX-UHFFFAOYSA-N 1 0 264.285 -1.328 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132715758 776749124 /nfs/dbraw/zinc/74/91/24/776749124.db2.gz YLGJJOHZKXNGLI-CQSZACIVSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133251772 776774031 /nfs/dbraw/zinc/77/40/31/776774031.db2.gz AWFSYHBIRJKIBN-LBPRGKRZSA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001283803109 777919137 /nfs/dbraw/zinc/91/91/37/777919137.db2.gz DVXZIVRZSPWRGY-MNOVXSKESA-N 1 0 292.343 -1.675 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001283798410 777919431 /nfs/dbraw/zinc/91/94/31/777919431.db2.gz XSCSHJRAUHLTGJ-SECBINFHSA-N 1 0 255.318 -1.105 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001283806041 777919488 /nfs/dbraw/zinc/91/94/88/777919488.db2.gz USUVCKOMXXORFN-NXEZZACHSA-N 1 0 293.389 -1.433 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001283803107 777919691 /nfs/dbraw/zinc/91/96/91/777919691.db2.gz DVXZIVRZSPWRGY-GHMZBOCLSA-N 1 0 292.343 -1.675 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001283803956 777919774 /nfs/dbraw/zinc/91/97/74/777919774.db2.gz MEKAWLGEFCVGHN-GWCFXTLKSA-N 1 0 267.329 -1.255 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001283806043 777919903 /nfs/dbraw/zinc/91/99/03/777919903.db2.gz USUVCKOMXXORFN-UWVGGRQHSA-N 1 0 293.389 -1.433 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)C(N)=O)CC1 ZINC001284259247 777932008 /nfs/dbraw/zinc/93/20/08/777932008.db2.gz ISIFXHHAOOZFER-SNVBAGLBSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)C(N)=O)CC1 ZINC001284259244 777932048 /nfs/dbraw/zinc/93/20/48/777932048.db2.gz ISIFXHHAOOZFER-JTQLQIEISA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001284456082 777943556 /nfs/dbraw/zinc/94/35/56/777943556.db2.gz JHPBHAMIKJNDNB-LLVKDONJSA-N 1 0 295.343 -2.068 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284460474 777943649 /nfs/dbraw/zinc/94/36/49/777943649.db2.gz SLDRJEOYCGHUOY-NSHDSACASA-N 1 0 295.343 -1.513 20 30 CAEDRO C=CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O)nn1 ZINC001284446319 777943856 /nfs/dbraw/zinc/94/38/56/777943856.db2.gz FLOBRYVHGOEBJB-QWRGUYRKSA-N 1 0 297.359 -1.133 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001284456084 777944001 /nfs/dbraw/zinc/94/40/01/777944001.db2.gz JHPBHAMIKJNDNB-NSHDSACASA-N 1 0 295.343 -2.068 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001284459345 777944175 /nfs/dbraw/zinc/94/41/75/777944175.db2.gz CFWWUDWJQNOCDJ-JTQLQIEISA-N 1 0 281.312 -1.919 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)NC(C)=O ZINC001284448898 777944240 /nfs/dbraw/zinc/94/42/40/777944240.db2.gz WLUPQAOEFVERKS-VXGBXAGGSA-N 1 0 269.345 -1.057 20 30 CAEDRO C=CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O)nn1 ZINC001284446320 777944539 /nfs/dbraw/zinc/94/45/39/777944539.db2.gz FLOBRYVHGOEBJB-WDEREUQCSA-N 1 0 297.359 -1.133 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001284447619 777944572 /nfs/dbraw/zinc/94/45/72/777944572.db2.gz HEASWTOAQFBIFK-BBBLOLIVSA-N 1 0 255.318 -1.297 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCOCCOC ZINC001153220652 779837863 /nfs/dbraw/zinc/83/78/63/779837863.db2.gz VEFMVOOSTNWPDY-UHFFFAOYSA-N 1 0 285.344 -1.505 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001120420030 779635712 /nfs/dbraw/zinc/63/57/12/779635712.db2.gz FHJBJDMACRKPOH-SNVBAGLBSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001120521111 779639210 /nfs/dbraw/zinc/63/92/10/779639210.db2.gz ZHADDLWCXNBCQA-NSHDSACASA-N 1 0 267.329 -1.050 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001120521110 779639912 /nfs/dbraw/zinc/63/99/12/779639912.db2.gz ZHADDLWCXNBCQA-LLVKDONJSA-N 1 0 267.329 -1.050 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001120583465 779643088 /nfs/dbraw/zinc/64/30/88/779643088.db2.gz PDZCAKBRFNZPTG-JQWIXIFHSA-N 1 0 258.318 -1.219 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc[n+]([O-])cc1 ZINC001123040701 779678577 /nfs/dbraw/zinc/67/85/77/779678577.db2.gz QFKFDYPEGTWICV-UHFFFAOYSA-N 1 0 278.312 -1.058 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123089342 779680075 /nfs/dbraw/zinc/68/00/75/779680075.db2.gz CSSCDDOAGFIZQQ-VHSXEESVSA-N 1 0 284.360 -1.093 20 30 CAEDRO C[C@H]([NH2+]CCNC(=O)CSCC#N)C(=O)NC(N)=O ZINC001123799457 779694523 /nfs/dbraw/zinc/69/45/23/779694523.db2.gz SJNGYWRNQGULDK-ZETCQYMHSA-N 1 0 287.345 -1.468 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCC1CC1 ZINC001124009178 779700674 /nfs/dbraw/zinc/70/06/74/779700674.db2.gz KTRSGOINVTUAQQ-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COCC1CC1 ZINC001124005360 779700718 /nfs/dbraw/zinc/70/07/18/779700718.db2.gz ORSROPIIKFLBJP-UHFFFAOYSA-N 1 0 268.317 -1.241 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CNC(=O)OC)C1=O ZINC001124176028 779706257 /nfs/dbraw/zinc/70/62/57/779706257.db2.gz BCMUCZRFIXPBQQ-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)OC ZINC001124187120 779706512 /nfs/dbraw/zinc/70/65/12/779706512.db2.gz YHPDIIFYKQTSIF-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CNC(=O)OC)C1=O ZINC001124176026 779706560 /nfs/dbraw/zinc/70/65/60/779706560.db2.gz BCMUCZRFIXPBQQ-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccon1 ZINC001124192080 779706571 /nfs/dbraw/zinc/70/65/71/779706571.db2.gz XGNQKIINPKCMNT-UHFFFAOYSA-N 1 0 250.258 -1.257 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)OC ZINC001124182157 779706580 /nfs/dbraw/zinc/70/65/80/779706580.db2.gz SFVIUDHWXYCDLK-UHFFFAOYSA-N 1 0 272.305 -1.650 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)OC ZINC001124272807 779707349 /nfs/dbraw/zinc/70/73/49/779707349.db2.gz IURXBHUITGBLEW-VIFPVBQESA-N 1 0 286.332 -1.261 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)OC ZINC001124272806 779707825 /nfs/dbraw/zinc/70/78/25/779707825.db2.gz IURXBHUITGBLEW-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCNC(N)=O ZINC001150432641 779794346 /nfs/dbraw/zinc/79/43/46/779794346.db2.gz YNCCDYZUCPMDHG-SECBINFHSA-N 1 0 285.348 -1.559 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCNC(N)=O ZINC001150415410 779794566 /nfs/dbraw/zinc/79/45/66/779794566.db2.gz WMXFWWKGOQZECE-UHFFFAOYSA-N 1 0 271.321 -1.947 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCCOCC ZINC001152542902 779827541 /nfs/dbraw/zinc/82/75/41/779827541.db2.gz WDFRMGOQNFRTHF-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCNC(=O)CC(=O)NC[C@@H](C)[N@H+](CC)CCO ZINC001152861805 779833235 /nfs/dbraw/zinc/83/32/35/779833235.db2.gz UEYJZKSSPZLWJX-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001118759696 779586712 /nfs/dbraw/zinc/58/67/12/779586712.db2.gz TYGUESHEFYLLKM-UHFFFAOYSA-N 1 0 255.318 -1.057 20 30 CAEDRO N#CCS(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239096004 780530704 /nfs/dbraw/zinc/53/07/04/780530704.db2.gz VKSUCMBCPXMGHG-UHFFFAOYSA-N 1 0 275.378 -2.076 20 30 CAEDRO COC(=O)[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)C[C@H]1[NH3+] ZINC001239136443 780532340 /nfs/dbraw/zinc/53/23/40/780532340.db2.gz SLJUJDJTKOQYCD-BWZBUEFSSA-N 1 0 261.303 -1.340 20 30 CAEDRO COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)C[C@H]1[NH3+] ZINC001239136449 780532784 /nfs/dbraw/zinc/53/27/84/780532784.db2.gz SLJUJDJTKOQYCD-XLPZGREQSA-N 1 0 261.303 -1.340 20 30 CAEDRO COC(=O)[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)C[C@@H]1[NH3+] ZINC001239136445 780533510 /nfs/dbraw/zinc/53/35/10/780533510.db2.gz SLJUJDJTKOQYCD-PRJMDXOYSA-N 1 0 261.303 -1.340 20 30 CAEDRO C#CCOC[C@@H](O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001251854576 780578254 /nfs/dbraw/zinc/57/82/54/780578254.db2.gz HLOFQELTGDZTNK-LBPRGKRZSA-N 1 0 282.340 -1.022 20 30 CAEDRO C#CCOC[C@@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC001251858262 780578405 /nfs/dbraw/zinc/57/84/05/780578405.db2.gz UURJAWAWFCETQH-NSHDSACASA-N 1 0 271.313 -1.003 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCS(=O)(=O)N(C)C ZINC001251887799 780578514 /nfs/dbraw/zinc/57/85/14/780578514.db2.gz JMRVTLPDQCKKLM-JTQLQIEISA-N 1 0 264.347 -1.522 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CC(=O)NCC(=O)OCC ZINC001251884941 780578520 /nfs/dbraw/zinc/57/85/20/780578520.db2.gz KGAWCMLLUPJPCQ-SNVBAGLBSA-N 1 0 272.301 -1.734 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCCN(CCO)CCO ZINC001251880707 780578578 /nfs/dbraw/zinc/57/85/78/780578578.db2.gz FQDXYJZVERPTFR-ZDUSSCGKSA-N 1 0 274.361 -1.737 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001251888283 780578680 /nfs/dbraw/zinc/57/86/80/780578680.db2.gz QWGZTNQZJJNBBZ-OOCWMUITSA-N 1 0 259.302 -2.311 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001278743472 780596101 /nfs/dbraw/zinc/59/61/01/780596101.db2.gz OMAAYFATTBDKIT-NSHDSACASA-N 1 0 250.302 -1.006 20 30 CAEDRO C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001278749413 780596570 /nfs/dbraw/zinc/59/65/70/780596570.db2.gz JJNKRVXRCMLSLJ-SNVBAGLBSA-N 1 0 298.343 -1.606 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001278794546 780605253 /nfs/dbraw/zinc/60/52/53/780605253.db2.gz CRXGKWANIZEWHF-SMDDNHRTSA-N 1 0 279.340 -1.301 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001278809917 780607930 /nfs/dbraw/zinc/60/79/30/780607930.db2.gz IQVVNPNPEBTJOK-ZANVPECISA-N 1 0 296.327 -1.677 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001278845068 780612529 /nfs/dbraw/zinc/61/25/29/780612529.db2.gz RIDZKTUNWQZKLY-NSHDSACASA-N 1 0 280.332 -1.553 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC[NH+](CCO)CC1 ZINC001222921211 780427574 /nfs/dbraw/zinc/42/75/74/780427574.db2.gz QLAZPRIIYODZNY-UHFFFAOYSA-N 1 0 281.356 -1.054 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001222908479 780428059 /nfs/dbraw/zinc/42/80/59/780428059.db2.gz YWRUZLSZEPWFAD-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001278177156 780512445 /nfs/dbraw/zinc/51/24/45/780512445.db2.gz IWFDQZBTZCDZQD-JTQLQIEISA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001278176924 780512488 /nfs/dbraw/zinc/51/24/88/780512488.db2.gz DTWBBDYJWJKBME-NSHDSACASA-N 1 0 294.355 -1.338 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+](CCCO)CC1 ZINC001278177290 780512606 /nfs/dbraw/zinc/51/26/06/780512606.db2.gz NBSKSZLAINRYMW-UHFFFAOYSA-N 1 0 267.329 -1.220 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001278172689 780512851 /nfs/dbraw/zinc/51/28/51/780512851.db2.gz XUNXGVMWLNAHAH-JTQLQIEISA-N 1 0 266.305 -1.847 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001278187623 780513032 /nfs/dbraw/zinc/51/30/32/780513032.db2.gz VDXQGUVJEWCTQW-LLVKDONJSA-N 1 0 290.323 -1.245 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001278178238 780513185 /nfs/dbraw/zinc/51/31/85/780513185.db2.gz DQCPSLHRPCLJTR-SSDOTTSWSA-N 1 0 296.283 -1.790 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001238065295 780513212 /nfs/dbraw/zinc/51/32/12/780513212.db2.gz WFTANBIYEOPXCM-HRDYMLBCSA-N 1 0 265.310 -1.120 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001278214380 780515792 /nfs/dbraw/zinc/51/57/92/780515792.db2.gz SQQNMIYFZPQIRX-NSHDSACASA-N 1 0 290.323 -1.116 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238325713 780515869 /nfs/dbraw/zinc/51/58/69/780515869.db2.gz CQJXSPVJGAOWDN-FJXKBIBVSA-N 1 0 258.303 -1.604 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1ccnc1 ZINC001278214589 780515888 /nfs/dbraw/zinc/51/58/88/780515888.db2.gz WZALLAWXECTWGC-NSHDSACASA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CO)NCC#N)CC1 ZINC001278203213 780516517 /nfs/dbraw/zinc/51/65/17/780516517.db2.gz YZSZSIYJZDZANG-CYBMUJFWSA-N 1 0 278.356 -1.078 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001278230608 780519343 /nfs/dbraw/zinc/51/93/43/780519343.db2.gz DIGHJGNJGUEQRL-NXEZZACHSA-N 1 0 280.328 -1.810 20 30 CAEDRO CC[C@H](C)[C@H](NS(=O)(=O)CC[NH3+])C(=O)NO ZINC001238916450 780524095 /nfs/dbraw/zinc/52/40/95/780524095.db2.gz XDCGIVRPJODRQL-BQBZGAKWSA-N 1 0 253.324 -1.215 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)NCCCC[C@H]([NH3+])C(N)=O ZINC001238839911 780524136 /nfs/dbraw/zinc/52/41/36/780524136.db2.gz WERODLIUQUOUCT-YUMQZZPRSA-N 1 0 262.335 -1.199 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001261861993 780691652 /nfs/dbraw/zinc/69/16/52/780691652.db2.gz LRYJXOZJXQLRHW-LBPRGKRZSA-N 1 0 293.371 -1.008 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001262553245 780715941 /nfs/dbraw/zinc/71/59/41/780715941.db2.gz SPLZZQSLJXYCRA-GMTAPVOTSA-N 1 0 265.313 -1.300 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCN1CCS(=O)(=O)CC1 ZINC001263096497 780720298 /nfs/dbraw/zinc/72/02/98/780720298.db2.gz TVRPYXPGTKLXIK-UHFFFAOYSA-N 1 0 273.358 -1.944 20 30 CAEDRO C#CC[N@@H+](C)CCOCCN(C)C(=O)Cn1cnnn1 ZINC001264661618 780738613 /nfs/dbraw/zinc/73/86/13/780738613.db2.gz WPQDHCOCJXSIMG-UHFFFAOYSA-N 1 0 280.332 -1.287 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cnon2)C1 ZINC001264435717 780739244 /nfs/dbraw/zinc/73/92/44/780739244.db2.gz UCXQKAGGKAGNIF-MGCOHNPYSA-N 1 0 291.311 -1.083 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001264430727 780739250 /nfs/dbraw/zinc/73/92/50/780739250.db2.gz LVLRAFFZSNGGEW-IJLUTSLNSA-N 1 0 294.355 -1.198 20 30 CAEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001279730942 780776449 /nfs/dbraw/zinc/77/64/49/780776449.db2.gz IQSCENONIYIALU-JTQLQIEISA-N 1 0 298.343 -1.429 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1ncc[nH]1 ZINC001279712057 780776628 /nfs/dbraw/zinc/77/66/28/780776628.db2.gz WEARHXZPRAOEBP-UHFFFAOYSA-N 1 0 294.315 -1.926 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001279745801 780776692 /nfs/dbraw/zinc/77/66/92/780776692.db2.gz GOUQUKRBNDQRAE-LBPRGKRZSA-N 1 0 281.356 -1.102 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1cc(=O)n(C)cn1 ZINC001279731630 780776862 /nfs/dbraw/zinc/77/68/62/780776862.db2.gz WIPQKHKSMYXSJL-UHFFFAOYSA-N 1 0 292.339 -1.172 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN1C(=O)CNC1=O ZINC001279901973 780778026 /nfs/dbraw/zinc/77/80/26/780778026.db2.gz ZIXGBHLZAVFIDN-UHFFFAOYSA-N 1 0 282.300 -2.418 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)CN1C(=O)CCC1=O ZINC001279901417 780778126 /nfs/dbraw/zinc/77/81/26/780778126.db2.gz GRXGKTFHUHUVTL-UHFFFAOYSA-N 1 0 283.328 -1.268 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C1CC(=O)NC(=O)C1 ZINC001279857407 780778169 /nfs/dbraw/zinc/77/81/69/780778169.db2.gz CCPBKGRSYMHSOR-UHFFFAOYSA-N 1 0 281.312 -1.917 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1cnn(C)n1 ZINC001279858315 780778269 /nfs/dbraw/zinc/77/82/69/780778269.db2.gz PPDVDLGFWLGNFR-UHFFFAOYSA-N 1 0 265.317 -1.138 20 30 CAEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001282498714 780817836 /nfs/dbraw/zinc/81/78/36/780817836.db2.gz ZSZHZETWWWXDFK-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001282484026 780819249 /nfs/dbraw/zinc/81/92/49/780819249.db2.gz AOQFMIYEHQWODU-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001281064762 780655509 /nfs/dbraw/zinc/65/55/09/780655509.db2.gz ICTCFASOUGXAKJ-NWDGAFQWSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185729 781902758 /nfs/dbraw/zinc/90/27/58/781902758.db2.gz NOULAMYBTPPNKC-CHWSQXEVSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001054669967 782598851 /nfs/dbraw/zinc/59/88/51/782598851.db2.gz GMVZIQSNOWZIFG-VHSXEESVSA-N 1 0 292.343 -1.001 20 30 CAEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001054669969 782599714 /nfs/dbraw/zinc/59/97/14/782599714.db2.gz GMVZIQSNOWZIFG-ZJUUUORDSA-N 1 0 292.343 -1.001 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1C ZINC001054745894 782601370 /nfs/dbraw/zinc/60/13/70/782601370.db2.gz DZEQZYYMEILZJL-NWDGAFQWSA-N 1 0 279.340 -1.085 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001054819347 782601552 /nfs/dbraw/zinc/60/15/52/782601552.db2.gz GQDGHEJQMLNSPW-MNOVXSKESA-N 1 0 277.328 -1.349 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001054970023 782604508 /nfs/dbraw/zinc/60/45/08/782604508.db2.gz YLROWODSEISDSG-NEPJUHHUSA-N 1 0 278.356 -1.512 20 30 CAEDRO C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001052075332 782711624 /nfs/dbraw/zinc/71/16/24/782711624.db2.gz ZQSAICICNRLHSU-LBPRGKRZSA-N 1 0 278.356 -1.287 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070162124 782748325 /nfs/dbraw/zinc/74/83/25/782748325.db2.gz SIPKIHSGZMKZOX-ZJUUUORDSA-N 1 0 278.316 -1.319 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001070299003 782749377 /nfs/dbraw/zinc/74/93/77/782749377.db2.gz BOFDQYCNYIVVQD-MNOVXSKESA-N 1 0 287.283 -1.050 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070477504 782751614 /nfs/dbraw/zinc/75/16/14/782751614.db2.gz DSWGVWYDILHGGC-CMPLNLGQSA-N 1 0 289.339 -1.187 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070527982 782751968 /nfs/dbraw/zinc/75/19/68/782751968.db2.gz OUNSUMLDANTLCY-GXSJLCMTSA-N 1 0 275.312 -1.577 20 30 CAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001071206437 782758528 /nfs/dbraw/zinc/75/85/28/782758528.db2.gz KFJHIALOYZUNEJ-GXFFZTMASA-N 1 0 265.313 -1.203 20 30 CAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001071206439 782758576 /nfs/dbraw/zinc/75/85/76/782758576.db2.gz KFJHIALOYZUNEJ-ZWNOBZJWSA-N 1 0 265.313 -1.203 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451934 782777177 /nfs/dbraw/zinc/77/71/77/782777177.db2.gz VOWLWUISZXRELX-UHFFFAOYSA-N 1 0 260.301 -1.159 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881351 782786851 /nfs/dbraw/zinc/78/68/51/782786851.db2.gz PPTPZPOVWOVYAU-UHFFFAOYSA-N 1 0 289.339 -1.251 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073063690 782787776 /nfs/dbraw/zinc/78/77/76/782787776.db2.gz FSGDPKXQXUPFQS-UHFFFAOYSA-N 1 0 290.323 -1.294 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751805 782798021 /nfs/dbraw/zinc/79/80/21/782798021.db2.gz IREREEMGYFTQSE-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751677 782798167 /nfs/dbraw/zinc/79/81/67/782798167.db2.gz GETDZNIXVYNVJB-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751675 782799307 /nfs/dbraw/zinc/79/93/07/782799307.db2.gz GETDZNIXVYNVJB-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1=O ZINC001074846226 782813580 /nfs/dbraw/zinc/81/35/80/782813580.db2.gz SQWOXMOTZVKKHB-DCAQKATOSA-N 1 0 294.355 -1.162 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001074842319 782813098 /nfs/dbraw/zinc/81/30/98/782813098.db2.gz UVPVODDOPXJYED-GUBZILKMSA-N 1 0 250.302 -1.120 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001074922594 782815153 /nfs/dbraw/zinc/81/51/53/782815153.db2.gz YGRMXVULQAINHW-GUBZILKMSA-N 1 0 278.312 -1.203 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099631138 782824009 /nfs/dbraw/zinc/82/40/09/782824009.db2.gz UFMQROJTDHKDND-MNOVXSKESA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099631137 782824238 /nfs/dbraw/zinc/82/42/38/782824238.db2.gz UFMQROJTDHKDND-GHMZBOCLSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099635557 782825552 /nfs/dbraw/zinc/82/55/52/782825552.db2.gz GCZINROVTBEIGM-STQMWFEESA-N 1 0 299.371 -1.124 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651402 782826349 /nfs/dbraw/zinc/82/63/49/782826349.db2.gz UJQPDIGPBLSACH-UWVGGRQHSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099705047 782829915 /nfs/dbraw/zinc/82/99/15/782829915.db2.gz UUAKVXPNFVEJRB-MNOVXSKESA-N 1 0 283.328 -1.083 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099705048 782830358 /nfs/dbraw/zinc/83/03/58/782830358.db2.gz UUAKVXPNFVEJRB-QWRGUYRKSA-N 1 0 283.328 -1.083 20 30 CAEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099738753 782831000 /nfs/dbraw/zinc/83/10/00/782831000.db2.gz SEZKGTNUCTYLJI-WDEREUQCSA-N 1 0 258.318 -1.267 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758221 782833887 /nfs/dbraw/zinc/83/38/87/782833887.db2.gz PNLAZBHCEXWRTO-ZJUUUORDSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099738752 782831908 /nfs/dbraw/zinc/83/19/08/782831908.db2.gz SEZKGTNUCTYLJI-QWRGUYRKSA-N 1 0 258.318 -1.267 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758219 782833706 /nfs/dbraw/zinc/83/37/06/782833706.db2.gz PNLAZBHCEXWRTO-UWVGGRQHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757622 782834248 /nfs/dbraw/zinc/83/42/48/782834248.db2.gz HKUNFBMRPBUOOK-ZJUUUORDSA-N 1 0 253.302 -1.564 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001099788568 782834821 /nfs/dbraw/zinc/83/48/21/782834821.db2.gz GWGHTBBGZYBRMB-QWRGUYRKSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099788133 782835003 /nfs/dbraw/zinc/83/50/03/782835003.db2.gz BSABGTGWJKHMRH-RYUDHWBXSA-N 1 0 297.355 -1.676 20 30 CAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760827 782835208 /nfs/dbraw/zinc/83/52/08/782835208.db2.gz ORYVCCLIGHPHHP-VHSXEESVSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760828 782835668 /nfs/dbraw/zinc/83/56/68/782835668.db2.gz ORYVCCLIGHPHHP-ZJUUUORDSA-N 1 0 255.318 -1.011 20 30 CAEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791979 782836964 /nfs/dbraw/zinc/83/69/64/782836964.db2.gz NJTTXSSDDBPOCK-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099792744 782837722 /nfs/dbraw/zinc/83/77/22/782837722.db2.gz YUADRJNBJYKKLG-VHSXEESVSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791734 782837838 /nfs/dbraw/zinc/83/78/38/782837838.db2.gz JVUQOANYGFUMGT-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099792745 782838109 /nfs/dbraw/zinc/83/81/09/782838109.db2.gz YUADRJNBJYKKLG-ZJUUUORDSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099792743 782838309 /nfs/dbraw/zinc/83/83/09/782838309.db2.gz YUADRJNBJYKKLG-UWVGGRQHSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099835105 782839004 /nfs/dbraw/zinc/83/90/04/782839004.db2.gz CETXMOWYNPBSAS-STQMWFEESA-N 1 0 284.356 -1.040 20 30 CAEDRO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099826276 782839063 /nfs/dbraw/zinc/83/90/63/782839063.db2.gz IVIVTEXNRHWPDS-NEPJUHHUSA-N 1 0 252.314 -1.057 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099835102 782839300 /nfs/dbraw/zinc/83/93/00/782839300.db2.gz CETXMOWYNPBSAS-CHWSQXEVSA-N 1 0 284.356 -1.040 20 30 CAEDRO CC#CC[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099812939 782839353 /nfs/dbraw/zinc/83/93/53/782839353.db2.gz IKOANFQCNZTBNQ-RYUDHWBXSA-N 1 0 296.371 -1.120 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099862775 782841323 /nfs/dbraw/zinc/84/13/23/782841323.db2.gz BFGSHPPVXYUBNY-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980074 782847413 /nfs/dbraw/zinc/84/74/13/782847413.db2.gz AUOJARIASIHIJO-MNOVXSKESA-N 1 0 279.340 -1.173 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046043 782848659 /nfs/dbraw/zinc/84/86/59/782848659.db2.gz GOQMMZZAVHHNFL-RYUDHWBXSA-N 1 0 292.343 -1.362 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100104318 782850588 /nfs/dbraw/zinc/85/05/88/782850588.db2.gz ZREJHAXDKTYOFR-NXEZZACHSA-N 1 0 270.333 -1.218 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106211 782850617 /nfs/dbraw/zinc/85/06/17/782850617.db2.gz QTRRAZWNFPXTNK-MNOVXSKESA-N 1 0 282.344 -1.381 20 30 CAEDRO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O ZINC001100074834 782850723 /nfs/dbraw/zinc/85/07/23/782850723.db2.gz UBZNILPQIGKGPT-VXGBXAGGSA-N 1 0 284.360 -1.360 20 30 CAEDRO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O ZINC001100074832 782850813 /nfs/dbraw/zinc/85/08/13/782850813.db2.gz UBZNILPQIGKGPT-NWDGAFQWSA-N 1 0 284.360 -1.360 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100104896 782850819 /nfs/dbraw/zinc/85/08/19/782850819.db2.gz BDLKSHRTZKLIDX-MNOVXSKESA-N 1 0 282.344 -1.381 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106210 782850998 /nfs/dbraw/zinc/85/09/98/782850998.db2.gz QTRRAZWNFPXTNK-GHMZBOCLSA-N 1 0 282.344 -1.381 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100104898 782851443 /nfs/dbraw/zinc/85/14/43/782851443.db2.gz BDLKSHRTZKLIDX-WDEREUQCSA-N 1 0 282.344 -1.381 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116161 782852662 /nfs/dbraw/zinc/85/26/62/782852662.db2.gz NMIGUBOWVMRJRP-VHSXEESVSA-N 1 0 291.373 -1.727 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116160 782853273 /nfs/dbraw/zinc/85/32/73/782853273.db2.gz NMIGUBOWVMRJRP-UWVGGRQHSA-N 1 0 291.373 -1.727 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC(N)=O)C1 ZINC001100210594 782854621 /nfs/dbraw/zinc/85/46/21/782854621.db2.gz FEFCGJMWIGRTQT-WHXUTIOJSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC(N)=O)C1 ZINC001100210593 782854972 /nfs/dbraw/zinc/85/49/72/782854972.db2.gz FEFCGJMWIGRTQT-KPPDAEKUSA-N 1 0 294.355 -1.516 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628384 782860589 /nfs/dbraw/zinc/86/05/89/782860589.db2.gz GJSABJZWPUHPMK-XNWIYYODSA-N 1 0 282.344 -1.353 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100322184 782857275 /nfs/dbraw/zinc/85/72/75/782857275.db2.gz DTCNJNWEALMLGZ-KPPDAEKUSA-N 1 0 267.329 -1.006 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001100538066 782858062 /nfs/dbraw/zinc/85/80/62/782858062.db2.gz BUDQWZRKBVQLRX-UHFFFAOYSA-N 1 0 288.373 -1.842 20 30 CAEDRO C#CCC[NH2+]C1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001100567076 782859040 /nfs/dbraw/zinc/85/90/40/782859040.db2.gz WGRJPDSRMQVFTH-UHFFFAOYSA-N 1 0 292.383 -1.074 20 30 CAEDRO COCC#CC[NH2+]C1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001100573609 782859087 /nfs/dbraw/zinc/85/90/87/782859087.db2.gz GAJLPTBTNDTNIC-UHFFFAOYSA-N 1 0 292.343 -1.042 20 30 CAEDRO COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001100618522 782859431 /nfs/dbraw/zinc/85/94/31/782859431.db2.gz LVLRAFFZSNGGEW-MCIGGMRASA-N 1 0 294.355 -1.198 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100627584 782859437 /nfs/dbraw/zinc/85/94/37/782859437.db2.gz LYCWYERTQNFOQK-UHFFFAOYSA-N 1 0 266.301 -2.295 20 30 CAEDRO C=CC[NH2+]C1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001100538364 782859467 /nfs/dbraw/zinc/85/94/67/782859467.db2.gz QJAHFLQEVAJFNG-UHFFFAOYSA-N 1 0 290.389 -1.289 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C2CC(CNC(=O)C(N)=O)C2)C1=O ZINC001100627927 782860211 /nfs/dbraw/zinc/86/02/11/782860211.db2.gz RWEFULITPKUYBP-ILDUYXDCSA-N 1 0 294.355 -1.257 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2CC(=O)NC2=O)C1 ZINC001100766111 782861819 /nfs/dbraw/zinc/86/18/19/782861819.db2.gz QMJGZHHMZFUZRE-UHFFFAOYSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001100955886 782862838 /nfs/dbraw/zinc/86/28/38/782862838.db2.gz CZWHCFOONZRUCM-UHFFFAOYSA-N 1 0 278.312 -1.344 20 30 CAEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101346768 782863795 /nfs/dbraw/zinc/86/37/95/782863795.db2.gz GJMUITMYSRYPCM-YGRLFVJLSA-N 1 0 294.355 -1.446 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001101207678 782864944 /nfs/dbraw/zinc/86/49/44/782864944.db2.gz NLUUNFOPPSLMNJ-DOMZBBRYSA-N 1 0 293.367 -1.102 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101710156 782866082 /nfs/dbraw/zinc/86/60/82/782866082.db2.gz WBSRESZCFHIHPG-NXEZZACHSA-N 1 0 252.318 -1.028 20 30 CAEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101842069 782867823 /nfs/dbraw/zinc/86/78/23/782867823.db2.gz AXKNEYSAAGMGOW-GHMZBOCLSA-N 1 0 296.371 -1.152 20 30 CAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CC(N)=O ZINC001101842159 782868251 /nfs/dbraw/zinc/86/82/51/782868251.db2.gz GFBTZWWNWFTBGR-NXEZZACHSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001101900550 782868824 /nfs/dbraw/zinc/86/88/24/782868824.db2.gz OSGBAAHJVXFNPS-VXGBXAGGSA-N 1 0 281.356 -1.198 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)C1 ZINC001102056147 782869288 /nfs/dbraw/zinc/86/92/88/782869288.db2.gz QTALUVUQIYAYNH-MXWKQRLJSA-N 1 0 292.339 -1.098 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102300966 782869353 /nfs/dbraw/zinc/86/93/53/782869353.db2.gz JUJLDUWLEJYIKQ-OUAUKWLOSA-N 1 0 296.371 -1.154 20 30 CAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306492 782869434 /nfs/dbraw/zinc/86/94/34/782869434.db2.gz WOFGZUHEVDKINR-NXEZZACHSA-N 1 0 280.328 -2.095 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102300965 782869875 /nfs/dbraw/zinc/86/98/75/782869875.db2.gz JUJLDUWLEJYIKQ-GMTAPVOTSA-N 1 0 296.371 -1.154 20 30 CAEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102309252 782870677 /nfs/dbraw/zinc/87/06/77/782870677.db2.gz QHNTYHCEKVMXGA-NXEZZACHSA-N 1 0 282.344 -1.542 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC001102557846 782871705 /nfs/dbraw/zinc/87/17/05/782871705.db2.gz RGZZLQGURSGVQP-GHMZBOCLSA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)CS(=O)(=O)NC)[C@H](C)C1 ZINC001102582048 782872218 /nfs/dbraw/zinc/87/22/18/782872218.db2.gz TUUNJOKBSKFGGN-GHMZBOCLSA-N 1 0 287.385 -1.147 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115208653 782879178 /nfs/dbraw/zinc/87/91/78/782879178.db2.gz HNOLSRQXIWEYNO-IMRBUKKESA-N 1 0 289.339 -1.026 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115219310 782881046 /nfs/dbraw/zinc/88/10/46/782881046.db2.gz VDFBJWJXEOHXED-PJXYFTJBSA-N 1 0 294.355 -1.259 20 30 CAEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115254585 782882032 /nfs/dbraw/zinc/88/20/32/782882032.db2.gz OFGMYFGTRPNQOW-IAZYJMLFSA-N 1 0 285.369 -1.395 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001116403191 782896399 /nfs/dbraw/zinc/89/63/99/782896399.db2.gz HQIATIWIGNRHEQ-SECBINFHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)[C@H](C)NC(N)=O ZINC001266270453 775102875 /nfs/dbraw/zinc/10/28/75/775102875.db2.gz SJYNIJUREWISFZ-VIFPVBQESA-N 1 0 283.332 -2.159 20 30 CAEDRO C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)Cn1ncnn1 ZINC001266275137 775103348 /nfs/dbraw/zinc/10/33/48/775103348.db2.gz OMEXBQQBLOKXOQ-SNVBAGLBSA-N 1 0 295.347 -1.588 20 30 CAEDRO C=CC[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001266290764 775107209 /nfs/dbraw/zinc/10/72/09/775107209.db2.gz KSSKBDXYXZAEMU-UHFFFAOYSA-N 1 0 268.361 -1.006 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001266290801 775107554 /nfs/dbraw/zinc/10/75/54/775107554.db2.gz LLYAFXKHGXUSRB-UHFFFAOYSA-N 1 0 295.343 -1.720 20 30 CAEDRO C=CC[NH+]1CCN(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001266292914 775109153 /nfs/dbraw/zinc/10/91/53/775109153.db2.gz ZSZXGAZOMBIDEI-LLVKDONJSA-N 1 0 281.360 -1.412 20 30 CAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266332968 775117564 /nfs/dbraw/zinc/11/75/64/775117564.db2.gz DRJJKLCAFPPDRR-JTQLQIEISA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001266345408 775119494 /nfs/dbraw/zinc/11/94/94/775119494.db2.gz STNOPMQHLCYDAH-SNVBAGLBSA-N 1 0 288.373 -1.794 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385681 775126343 /nfs/dbraw/zinc/12/63/43/775126343.db2.gz GSMRUNPLIFTXDO-QMMMGPOBSA-N 1 0 267.289 -2.308 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001266399135 775127527 /nfs/dbraw/zinc/12/75/27/775127527.db2.gz LVKTXAUTPPIHGT-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001266414480 775129746 /nfs/dbraw/zinc/12/97/46/775129746.db2.gz CWPXCLCEONYCDM-NSHDSACASA-N 1 0 277.328 -1.301 20 30 CAEDRO CC[C@@H](NC(C)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167176116 775129909 /nfs/dbraw/zinc/12/99/09/775129909.db2.gz DQNDSDWYPGIXCF-LLVKDONJSA-N 1 0 297.359 -1.363 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001266432073 775131904 /nfs/dbraw/zinc/13/19/04/775131904.db2.gz WCYUXTZNBOELHH-UWVGGRQHSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CS(=O)(=O)NC ZINC001266437781 775132139 /nfs/dbraw/zinc/13/21/39/775132139.db2.gz LVBDQCIOOBCFNI-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)COC ZINC001266442587 775132902 /nfs/dbraw/zinc/13/29/02/775132902.db2.gz GHLHKRXNONXRPF-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001266444592 775132997 /nfs/dbraw/zinc/13/29/97/775132997.db2.gz AJGCQOGNTDMZLN-JTQLQIEISA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266468396 775133659 /nfs/dbraw/zinc/13/36/59/775133659.db2.gz PNDKASPGYWVCHI-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccnnc1 ZINC001167276864 775133924 /nfs/dbraw/zinc/13/39/24/775133924.db2.gz CTESEKZNKPCBKB-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001266464679 775134296 /nfs/dbraw/zinc/13/42/96/775134296.db2.gz FWRWNJKWCSZLRJ-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCNC(=O)CN1CCC[C@H]1CNC(=O)C(N)=O ZINC001266479809 775135141 /nfs/dbraw/zinc/13/51/41/775135141.db2.gz DJTPGPHVFPDBLA-VIFPVBQESA-N 1 0 266.301 -2.198 20 30 CAEDRO C[C@@H]([NH2+]CCNC(=O)c1cc(C#N)c[nH]1)C(=O)NC(N)=O ZINC001125370391 775137331 /nfs/dbraw/zinc/13/73/31/775137331.db2.gz MUBSMHWDVWIHHU-SSDOTTSWSA-N 1 0 292.299 -1.211 20 30 CAEDRO C[C@H]([NH2+]CCNC(=O)c1cc(C#N)c[nH]1)C(=O)NC(N)=O ZINC001125370392 775137882 /nfs/dbraw/zinc/13/78/82/775137882.db2.gz MUBSMHWDVWIHHU-ZETCQYMHSA-N 1 0 292.299 -1.211 20 30 CAEDRO CO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266511447 775138841 /nfs/dbraw/zinc/13/88/41/775138841.db2.gz WFFZHBPORLIDCI-ZJUUUORDSA-N 1 0 268.317 -1.148 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001266510741 775139104 /nfs/dbraw/zinc/13/91/04/775139104.db2.gz NLBKZMZXTWLYDE-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001266507019 775139597 /nfs/dbraw/zinc/13/95/97/775139597.db2.gz FFJSCPZIOFMTNA-JTQLQIEISA-N 1 0 293.331 -1.834 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001266510744 775139690 /nfs/dbraw/zinc/13/96/90/775139690.db2.gz NLBKZMZXTWLYDE-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO CO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266511446 775139783 /nfs/dbraw/zinc/13/97/83/775139783.db2.gz WFFZHBPORLIDCI-UWVGGRQHSA-N 1 0 268.317 -1.148 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125390837 775141032 /nfs/dbraw/zinc/14/10/32/775141032.db2.gz FVKHIMCLWINXFA-UHFFFAOYSA-N 1 0 292.299 -1.339 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001266552426 775143601 /nfs/dbraw/zinc/14/36/01/775143601.db2.gz ZBGNJZCOEZLJFH-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001266565608 775144416 /nfs/dbraw/zinc/14/44/16/775144416.db2.gz GJHSORYJXUDOPP-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001266552081 775144575 /nfs/dbraw/zinc/14/45/75/775144575.db2.gz LAPRTSDOYAXWSH-JTQLQIEISA-N 1 0 290.389 -1.241 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001266563785 775144734 /nfs/dbraw/zinc/14/47/34/775144734.db2.gz IXRCWIBJYZFYKQ-JTQLQIEISA-N 1 0 273.358 -1.299 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125419651 775147014 /nfs/dbraw/zinc/14/70/14/775147014.db2.gz OTEFLPGYDASYCY-UHFFFAOYSA-N 1 0 280.332 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]cn1 ZINC001167349864 775147202 /nfs/dbraw/zinc/14/72/02/775147202.db2.gz JBGVMSAUIZMPLS-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388671 775150500 /nfs/dbraw/zinc/15/05/00/775150500.db2.gz WOYUFNHFHGLQJZ-JTQLQIEISA-N 1 0 296.327 -1.670 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388423 775151598 /nfs/dbraw/zinc/15/15/98/775151598.db2.gz PFZYDUOFTUDARW-JTQLQIEISA-N 1 0 298.343 -1.117 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CCn2cnnn2)C1 ZINC001266628529 775154760 /nfs/dbraw/zinc/15/47/60/775154760.db2.gz LTJMKWAFWQOGMZ-HAQNSBGRSA-N 1 0 292.343 -1.050 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421823 775155566 /nfs/dbraw/zinc/15/55/66/775155566.db2.gz IIKRPENRIGDFBE-UHFFFAOYSA-N 1 0 276.362 -1.889 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1cnn(C)c1 ZINC001266654668 775157258 /nfs/dbraw/zinc/15/72/58/775157258.db2.gz IXEJKSWENJZXRR-UHFFFAOYSA-N 1 0 292.343 -1.350 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001266668591 775158878 /nfs/dbraw/zinc/15/88/78/775158878.db2.gz ZSUITNPPZRZJMK-AOOOYVTPSA-N 1 0 276.300 -1.100 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)C#N ZINC001266660434 775159258 /nfs/dbraw/zinc/15/92/58/775159258.db2.gz OEJXFEHXDNMQQM-MRVPVSSYSA-N 1 0 269.305 -1.350 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CCc1nnc[nH]1 ZINC001266670988 775159506 /nfs/dbraw/zinc/15/95/06/775159506.db2.gz BACCVHWYALLYBF-UHFFFAOYSA-N 1 0 293.331 -1.575 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1ncn(C)n1 ZINC001266689769 775161451 /nfs/dbraw/zinc/16/14/51/775161451.db2.gz DFQQNMBZFXSDJO-UHFFFAOYSA-N 1 0 278.316 -1.774 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001266684004 775162203 /nfs/dbraw/zinc/16/22/03/775162203.db2.gz AMWAIKNLOJOSBT-UHFFFAOYSA-N 1 0 294.355 -1.738 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266683034 775162361 /nfs/dbraw/zinc/16/23/61/775162361.db2.gz FNKPCJDSHLSPDA-SDDRHHMPSA-N 1 0 292.339 -1.099 20 30 CAEDRO C#CCOCCC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001266696828 775163030 /nfs/dbraw/zinc/16/30/30/775163030.db2.gz TYOQNXQGSFXJHZ-SNVBAGLBSA-N 1 0 298.343 -1.342 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001266699998 775163134 /nfs/dbraw/zinc/16/31/34/775163134.db2.gz VZGHKKFDQVVZHD-UHFFFAOYSA-N 1 0 290.389 -1.594 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001266697561 775163457 /nfs/dbraw/zinc/16/34/57/775163457.db2.gz XWXXUPMXHJZAHE-BBBLOLIVSA-N 1 0 290.327 -1.207 20 30 CAEDRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001266705232 775163623 /nfs/dbraw/zinc/16/36/23/775163623.db2.gz AYONKGLRBDJABA-OCAPTIKFSA-N 1 0 292.303 -2.300 20 30 CAEDRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266703094 775164302 /nfs/dbraw/zinc/16/43/02/775164302.db2.gz DNOBLUOIYVDEGC-DTORHVGOSA-N 1 0 291.315 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnon2)C1 ZINC001266718954 775166606 /nfs/dbraw/zinc/16/66/06/775166606.db2.gz KYXRYPSGCSIKQU-DTORHVGOSA-N 1 0 277.284 -1.331 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCNC1=O ZINC001266733648 775167172 /nfs/dbraw/zinc/16/71/72/775167172.db2.gz YHDKBFAUFVIFOC-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001266804985 775173329 /nfs/dbraw/zinc/17/33/29/775173329.db2.gz SHNXGGPOUPAVSF-JTQLQIEISA-N 1 0 282.344 -1.398 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001266822380 775175063 /nfs/dbraw/zinc/17/50/63/775175063.db2.gz VMBXRQACEXFUPL-SNVBAGLBSA-N 1 0 268.317 -1.634 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001266852106 775178426 /nfs/dbraw/zinc/17/84/26/775178426.db2.gz JNJVFBVJFPKCFA-UHFFFAOYSA-N 1 0 288.311 -1.428 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(N)=O)C1 ZINC001266894666 775181194 /nfs/dbraw/zinc/18/11/94/775181194.db2.gz JEGASJBDVDAPRN-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(N)=O)C1 ZINC001266892726 775182022 /nfs/dbraw/zinc/18/20/22/775182022.db2.gz ABRGZELXKUABKH-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(N)=O)C1 ZINC001266894662 775182167 /nfs/dbraw/zinc/18/21/67/775182167.db2.gz JEGASJBDVDAPRN-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)CC(N)=O)CC1 ZINC001266908248 775182228 /nfs/dbraw/zinc/18/22/28/775182228.db2.gz QOXNHGCFLOUMQS-UHFFFAOYSA-N 1 0 294.355 -1.372 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(N)=O)C1 ZINC001266892728 775182488 /nfs/dbraw/zinc/18/24/88/775182488.db2.gz ABRGZELXKUABKH-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)OC ZINC001266925303 775183644 /nfs/dbraw/zinc/18/36/44/775183644.db2.gz HARWVQZVWRCXJE-UWVGGRQHSA-N 1 0 255.318 -1.135 20 30 CAEDRO CO[C@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266928019 775183761 /nfs/dbraw/zinc/18/37/61/775183761.db2.gz YRDMEWSFMQOHSM-DTWKUNHWSA-N 1 0 256.306 -1.245 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)Cn1cnnn1 ZINC001266922628 775183858 /nfs/dbraw/zinc/18/38/58/775183858.db2.gz QXPWTORYROCZLG-JTQLQIEISA-N 1 0 266.305 -1.583 20 30 CAEDRO CO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266928018 775184288 /nfs/dbraw/zinc/18/42/88/775184288.db2.gz YRDMEWSFMQOHSM-BDAKNGLRSA-N 1 0 256.306 -1.245 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cnnn1 ZINC001266922620 775184373 /nfs/dbraw/zinc/18/43/73/775184373.db2.gz QTUOJZHTHRXRPH-SECBINFHSA-N 1 0 279.304 -2.483 20 30 CAEDRO CCC(=O)NCC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266927884 775184822 /nfs/dbraw/zinc/18/48/22/775184822.db2.gz MUNNWBVQUPQWBH-SECBINFHSA-N 1 0 283.332 -1.753 20 30 CAEDRO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001266928543 775184957 /nfs/dbraw/zinc/18/49/57/775184957.db2.gz VBFBTRBICWMUPW-RKDXNWHRSA-N 1 0 281.316 -2.001 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CNC(=O)OC ZINC001266926409 775184983 /nfs/dbraw/zinc/18/49/83/775184983.db2.gz NVPPPJKARCRWTM-VIFPVBQESA-N 1 0 286.332 -1.261 20 30 CAEDRO CO[C@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266928021 775185037 /nfs/dbraw/zinc/18/50/37/775185037.db2.gz YRDMEWSFMQOHSM-RKDXNWHRSA-N 1 0 256.306 -1.245 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001266928711 775185154 /nfs/dbraw/zinc/18/51/54/775185154.db2.gz WNCFZVADYNOYCB-VHSXEESVSA-N 1 0 282.344 -1.339 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)n1cncn1 ZINC001266933936 775186691 /nfs/dbraw/zinc/18/66/91/775186691.db2.gz RXJIMNBFYKBXLW-WDEREUQCSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001266944001 775186711 /nfs/dbraw/zinc/18/67/11/775186711.db2.gz FMNVUEFRBNLQAF-JTQLQIEISA-N 1 0 253.302 -1.427 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]CC(=O)NCC#N ZINC001266962161 775187473 /nfs/dbraw/zinc/18/74/73/775187473.db2.gz OUUXOUMSVOBHLY-IUCAKERBSA-N 1 0 283.332 -1.768 20 30 CAEDRO C[C@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001266951727 775187498 /nfs/dbraw/zinc/18/74/98/775187498.db2.gz WXVRHBQNEVLJSI-MRVPVSSYSA-N 1 0 283.332 -1.768 20 30 CAEDRO C#CCC[NH2+][C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001266947829 775187513 /nfs/dbraw/zinc/18/75/13/775187513.db2.gz JPJDPHIQHKHMOW-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]CC(=O)NCC#N ZINC001266948213 775188016 /nfs/dbraw/zinc/18/80/16/775188016.db2.gz HLICAHJPJWGIBD-NXEZZACHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]CC(=O)NCC#N ZINC001266949115 775188054 /nfs/dbraw/zinc/18/80/54/775188054.db2.gz CAMKKPXQVASUCI-ZETCQYMHSA-N 1 0 265.277 -1.848 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)CCOC ZINC001266947112 775188149 /nfs/dbraw/zinc/18/81/49/775188149.db2.gz BEZSTIZRWIIEGS-JTQLQIEISA-N 1 0 276.358 -1.225 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CS(=O)(=O)CCOC ZINC001266947113 775188232 /nfs/dbraw/zinc/18/82/32/775188232.db2.gz BEZSTIZRWIIEGS-SNVBAGLBSA-N 1 0 276.358 -1.225 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001266949451 775188307 /nfs/dbraw/zinc/18/83/07/775188307.db2.gz OTVOMSQMSQTRKV-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)[NH2+]CC(=O)NCC#N ZINC001266948216 775188431 /nfs/dbraw/zinc/18/84/31/775188431.db2.gz HLICAHJPJWGIBD-ZJUUUORDSA-N 1 0 295.343 -1.753 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C(N)=O)C1=O ZINC001266968341 775189215 /nfs/dbraw/zinc/18/92/15/775189215.db2.gz UITJVEDTVXSWSM-RKDXNWHRSA-N 1 0 268.317 -1.647 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C(N)=O)C1=O ZINC001266968285 775189335 /nfs/dbraw/zinc/18/93/35/775189335.db2.gz UITJVEDTVXSWSM-BDAKNGLRSA-N 1 0 268.317 -1.647 20 30 CAEDRO C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001266971374 775189391 /nfs/dbraw/zinc/18/93/91/775189391.db2.gz LURMIBQSNJROEH-RNCFNFMXSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001266971378 775189479 /nfs/dbraw/zinc/18/94/79/775189479.db2.gz LURMIBQSNJROEH-ZANVPECISA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001266964900 775189684 /nfs/dbraw/zinc/18/96/84/775189684.db2.gz RPYPBQPZRKUHMJ-QWRGUYRKSA-N 1 0 294.355 -1.549 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001266973424 775190037 /nfs/dbraw/zinc/19/00/37/775190037.db2.gz KTQUIGPMZQINJW-AEJSXWLSSA-N 1 0 298.343 -1.133 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C(N)=O)C1=O ZINC001266968286 775190135 /nfs/dbraw/zinc/19/01/35/775190135.db2.gz UITJVEDTVXSWSM-DTWKUNHWSA-N 1 0 268.317 -1.647 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266976508 775191064 /nfs/dbraw/zinc/19/10/64/775191064.db2.gz WLEGNICREAHRQS-SECBINFHSA-N 1 0 294.311 -1.475 20 30 CAEDRO C[C@H](CNC(=O)c1ccnnc1)[NH2+]CC(=O)NCC#N ZINC001266973719 775191168 /nfs/dbraw/zinc/19/11/68/775191168.db2.gz BPWJDEJDIHTOAC-SECBINFHSA-N 1 0 276.300 -1.176 20 30 CAEDRO C[C@@H](CNC(=O)c1ccnnc1)[NH2+]CC(=O)NCC#N ZINC001266973720 775191245 /nfs/dbraw/zinc/19/12/45/775191245.db2.gz BPWJDEJDIHTOAC-VIFPVBQESA-N 1 0 276.300 -1.176 20 30 CAEDRO Cc1nonc1CC(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266982916 775191314 /nfs/dbraw/zinc/19/13/14/775191314.db2.gz FSDFVTMFJYIXLE-QMMMGPOBSA-N 1 0 294.315 -1.345 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001266984108 775191675 /nfs/dbraw/zinc/19/16/75/775191675.db2.gz VGEOJJZKBMNASV-ZJUUUORDSA-N 1 0 292.343 -1.421 20 30 CAEDRO C[C@H](CNC(=O)c1cnon1)[NH2+]CC(=O)NCC#N ZINC001266980304 775191970 /nfs/dbraw/zinc/19/19/70/775191970.db2.gz QPNOWPKOPIDBBI-SSDOTTSWSA-N 1 0 266.261 -1.583 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001266974468 775192077 /nfs/dbraw/zinc/19/20/77/775192077.db2.gz FDKBZCBUNPSXGT-SECBINFHSA-N 1 0 278.312 -1.575 20 30 CAEDRO C[C@@H](CNC(=O)c1ncccn1)[NH2+]CC(=O)NCC#N ZINC001266979479 775192163 /nfs/dbraw/zinc/19/21/63/775192163.db2.gz HRTBPFVVOGPTCN-VIFPVBQESA-N 1 0 276.300 -1.176 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001266973426 775192214 /nfs/dbraw/zinc/19/22/14/775192214.db2.gz KTQUIGPMZQINJW-BBBLOLIVSA-N 1 0 298.343 -1.133 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001266994438 775193226 /nfs/dbraw/zinc/19/32/26/775193226.db2.gz NHVQJDZKVYOBAO-VIFPVBQESA-N 1 0 299.375 -1.170 20 30 CAEDRO C#CCC[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001266995165 775193809 /nfs/dbraw/zinc/19/38/09/775193809.db2.gz CKIMRPCRXFAGMU-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001267020581 775195710 /nfs/dbraw/zinc/19/57/10/775195710.db2.gz KATONHPQZDBOCS-JTQLQIEISA-N 1 0 290.327 -1.631 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001267040353 775196965 /nfs/dbraw/zinc/19/69/65/775196965.db2.gz CVIGMEHURUUUKT-LBPRGKRZSA-N 1 0 292.343 -1.239 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001267040447 775197056 /nfs/dbraw/zinc/19/70/56/775197056.db2.gz NVVSNLVWVGIJEP-UHFFFAOYSA-N 1 0 266.301 -1.438 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1cncn1 ZINC001267040893 775197153 /nfs/dbraw/zinc/19/71/53/775197153.db2.gz ZPTZLDSXAYZQKT-UHFFFAOYSA-N 1 0 280.332 -1.372 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CCNC(N)=O ZINC001267039955 775197235 /nfs/dbraw/zinc/19/72/35/775197235.db2.gz BOXVVMLUOOHODN-SNVBAGLBSA-N 1 0 297.359 -1.769 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259107 775198265 /nfs/dbraw/zinc/19/82/65/775198265.db2.gz XFLVNTGNXROQBP-LLVKDONJSA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001267064433 775198757 /nfs/dbraw/zinc/19/87/57/775198757.db2.gz HFXSXGTYHGGNNS-NSHDSACASA-N 1 0 292.339 -1.000 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267065894 775198822 /nfs/dbraw/zinc/19/88/22/775198822.db2.gz ABRWGGAQZQHNQN-LLVKDONJSA-N 1 0 292.339 -1.000 20 30 CAEDRO C[C@@H](CCNC(=O)Cn1ncnn1)[NH2+]CC(=O)NCC#N ZINC001267129871 775203254 /nfs/dbraw/zinc/20/32/54/775203254.db2.gz YAFAIHGDWVNOQN-VIFPVBQESA-N 1 0 294.319 -2.203 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1COCCO1 ZINC001267121882 775203270 /nfs/dbraw/zinc/20/32/70/775203270.db2.gz NBZIBTFWZLKGCE-VXGBXAGGSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001267139676 775203369 /nfs/dbraw/zinc/20/33/69/775203369.db2.gz LDDPGOCPPPVNAT-LLVKDONJSA-N 1 0 266.345 -1.464 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001267159206 775205637 /nfs/dbraw/zinc/20/56/37/775205637.db2.gz WTXGQFRCPYUZMN-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001267152162 775205919 /nfs/dbraw/zinc/20/59/19/775205919.db2.gz IPCWPWKCRZUCKT-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267156042 775206425 /nfs/dbraw/zinc/20/64/25/775206425.db2.gz XVCJWCIBEMFRKN-UWVGGRQHSA-N 1 0 273.358 -1.204 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615727 775206525 /nfs/dbraw/zinc/20/65/25/775206525.db2.gz SBDKUSNVLOTGQM-SNVBAGLBSA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125624975 775207823 /nfs/dbraw/zinc/20/78/23/775207823.db2.gz MKIZQGVYKUCGFC-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125624976 775207952 /nfs/dbraw/zinc/20/79/52/775207952.db2.gz MKIZQGVYKUCGFC-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125625123 775208425 /nfs/dbraw/zinc/20/84/25/775208425.db2.gz OJAJAKYFYZBQIZ-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125630829 775210225 /nfs/dbraw/zinc/21/02/25/775210225.db2.gz NVWMHUFGLYIJGX-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001267204989 775213527 /nfs/dbraw/zinc/21/35/27/775213527.db2.gz SHBUSKJYKMQFBJ-UHFFFAOYSA-N 1 0 266.345 -1.558 20 30 CAEDRO C#CCC[N@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001267232618 775217866 /nfs/dbraw/zinc/21/78/66/775217866.db2.gz KRVBIFFPCRKIAT-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO Cn1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001125659100 775220554 /nfs/dbraw/zinc/22/05/54/775220554.db2.gz JFIYUSJYHPFDTC-UHFFFAOYSA-N 1 0 263.301 -1.016 20 30 CAEDRO CCN(CCNC(=O)Cn1ccnc1)CC(=O)NCC#N ZINC001267257231 775221142 /nfs/dbraw/zinc/22/11/42/775221142.db2.gz SHILGKCJTBGXDB-UHFFFAOYSA-N 1 0 292.343 -1.039 20 30 CAEDRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001125676703 775222832 /nfs/dbraw/zinc/22/28/32/775222832.db2.gz UXZNWIFAQGPRFF-UHFFFAOYSA-N 1 0 264.289 -1.621 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)cn1 ZINC001125670955 775223276 /nfs/dbraw/zinc/22/32/76/775223276.db2.gz CERPOJWRDZIABF-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)cn1 ZINC001125670954 775223762 /nfs/dbraw/zinc/22/37/62/775223762.db2.gz CERPOJWRDZIABF-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125687789 775224942 /nfs/dbraw/zinc/22/49/42/775224942.db2.gz JQCAWSIRGRXHDM-SNVBAGLBSA-N 1 0 281.312 -1.605 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001267296015 775227902 /nfs/dbraw/zinc/22/79/02/775227902.db2.gz FSGBGUNPAADHBZ-LBPRGKRZSA-N 1 0 279.340 -1.084 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001267304617 775227974 /nfs/dbraw/zinc/22/79/74/775227974.db2.gz ABHVOSHXPPJBNS-LBPRGKRZSA-N 1 0 291.355 -1.038 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)COCC ZINC001267343344 775232172 /nfs/dbraw/zinc/23/21/72/775232172.db2.gz SRLJDRLCHLSIIA-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cn1cnnn1 ZINC001267343583 775232185 /nfs/dbraw/zinc/23/21/85/775232185.db2.gz BCCZRXKCULKILL-UHFFFAOYSA-N 1 0 280.292 -2.639 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cnns1 ZINC001267349966 775232358 /nfs/dbraw/zinc/23/23/58/775232358.db2.gz LGHMWXFYUTXEIH-UHFFFAOYSA-N 1 0 281.341 -1.051 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001267343804 775232941 /nfs/dbraw/zinc/23/29/41/775232941.db2.gz ACJMODABTFBSID-UHFFFAOYSA-N 1 0 291.311 -1.407 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001267368232 775235823 /nfs/dbraw/zinc/23/58/23/775235823.db2.gz WRCMCVHEOFHEPV-VIFPVBQESA-N 1 0 282.300 -2.108 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267372795 775236411 /nfs/dbraw/zinc/23/64/11/775236411.db2.gz YNOPTBZHQYDCIN-QWRGUYRKSA-N 1 0 295.339 -1.122 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)OCC#C ZINC001267372822 775237534 /nfs/dbraw/zinc/23/75/34/775237534.db2.gz ZCTHWSFXQGVDGH-LBPRGKRZSA-N 1 0 279.340 -1.178 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC ZINC001267387008 775238439 /nfs/dbraw/zinc/23/84/39/775238439.db2.gz ZNKZWNLIEUNKMJ-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001267383021 775239124 /nfs/dbraw/zinc/23/91/24/775239124.db2.gz CMHRIBGCMVALOS-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CCn1ccnc1 ZINC001267411265 775240950 /nfs/dbraw/zinc/24/09/50/775240950.db2.gz SVQYIZSQBGOAAV-UHFFFAOYSA-N 1 0 292.343 -1.039 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N ZINC001279673073 775241495 /nfs/dbraw/zinc/24/14/95/775241495.db2.gz PLAWASMUZBSHGK-NWDGAFQWSA-N 1 0 294.355 -1.306 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001267417134 775242962 /nfs/dbraw/zinc/24/29/62/775242962.db2.gz POCOEHCBAPDUOY-PJXYFTJBSA-N 1 0 279.340 -1.324 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(N)=O ZINC001267421668 775243465 /nfs/dbraw/zinc/24/34/65/775243465.db2.gz KUPSFLRDHYLQAM-QMMMGPOBSA-N 1 0 256.306 -1.790 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001267419240 775243764 /nfs/dbraw/zinc/24/37/64/775243764.db2.gz KSTWVFBYHYONBG-LLVKDONJSA-N 1 0 296.371 -1.043 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cnco1 ZINC001267409189 775243865 /nfs/dbraw/zinc/24/38/65/775243865.db2.gz DMEMIVWYEZMKQU-UHFFFAOYSA-N 1 0 265.273 -1.024 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267465409 775246909 /nfs/dbraw/zinc/24/69/09/775246909.db2.gz FAVRPMQTNUSQKW-UHFFFAOYSA-N 1 0 296.327 -1.764 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125776476 775247560 /nfs/dbraw/zinc/24/75/60/775247560.db2.gz OWVHNNQCXNOYNQ-UHFFFAOYSA-N 1 0 274.284 -1.154 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267480533 775249206 /nfs/dbraw/zinc/24/92/06/775249206.db2.gz KXVBEOQUQFMHRU-SECBINFHSA-N 1 0 251.286 -1.280 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267480534 775249275 /nfs/dbraw/zinc/24/92/75/775249275.db2.gz KXVBEOQUQFMHRU-VIFPVBQESA-N 1 0 251.286 -1.280 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468896 775250105 /nfs/dbraw/zinc/25/01/05/775250105.db2.gz DZTQFQSTJQLLNB-NSHDSACASA-N 1 0 281.360 -1.374 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001283663643 775256199 /nfs/dbraw/zinc/25/61/99/775256199.db2.gz PVWGLHANSBGILN-MRVPVSSYSA-N 1 0 299.356 -1.260 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001283663644 775256363 /nfs/dbraw/zinc/25/63/63/775256363.db2.gz PVWGLHANSBGILN-QMMMGPOBSA-N 1 0 299.356 -1.260 20 30 CAEDRO C#CCN1CCN(CCN(C)C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001267574071 775257100 /nfs/dbraw/zinc/25/71/00/775257100.db2.gz URUKZRPGFBSSEP-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267603238 775261674 /nfs/dbraw/zinc/26/16/74/775261674.db2.gz NTGSXXHJHCUKEB-UHFFFAOYSA-N 1 0 294.355 -1.609 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075530148 775272706 /nfs/dbraw/zinc/27/27/06/775272706.db2.gz HRWNPMXLAZOOOY-WDEREUQCSA-N 1 0 260.301 -1.161 20 30 CAEDRO Cc1occc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283735411 775281431 /nfs/dbraw/zinc/28/14/31/775281431.db2.gz ZAFCSTSFWQLZAA-JTQLQIEISA-N 1 0 294.311 -1.092 20 30 CAEDRO C#CCNC(=O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267678491 775283995 /nfs/dbraw/zinc/28/39/95/775283995.db2.gz FANKXJFZLKGDDF-CYBMUJFWSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001267709165 775287098 /nfs/dbraw/zinc/28/70/98/775287098.db2.gz UCGHWAMNRHYLCW-LLVKDONJSA-N 1 0 287.385 -1.051 20 30 CAEDRO CC1(C)C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283746697 775287179 /nfs/dbraw/zinc/28/71/79/775287179.db2.gz YQHJQWAHDBLDLS-VHSXEESVSA-N 1 0 282.344 -1.261 20 30 CAEDRO CC1(C)C[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283746695 775287947 /nfs/dbraw/zinc/28/79/47/775287947.db2.gz YQHJQWAHDBLDLS-NXEZZACHSA-N 1 0 282.344 -1.261 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001267709166 775288254 /nfs/dbraw/zinc/28/82/54/775288254.db2.gz UCGHWAMNRHYLCW-NSHDSACASA-N 1 0 287.385 -1.051 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001267693743 775288371 /nfs/dbraw/zinc/28/83/71/775288371.db2.gz OWDGEQHSXJHHSG-SNVBAGLBSA-N 1 0 287.385 -1.005 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1=COCCC1 ZINC001283747618 775288564 /nfs/dbraw/zinc/28/85/64/775288564.db2.gz XBHWITXRGJLZAB-LLVKDONJSA-N 1 0 296.327 -1.613 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001267724309 775290386 /nfs/dbraw/zinc/29/03/86/775290386.db2.gz STJJDOAZIOIAID-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001267725003 775290462 /nfs/dbraw/zinc/29/04/62/775290462.db2.gz DJTQIEKVGQFBNY-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO C[C@@](O)(CC(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001125866643 775293541 /nfs/dbraw/zinc/29/35/41/775293541.db2.gz WGOVROGNHFZCJZ-CYBMUJFWSA-N 1 0 282.344 -1.117 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220036487 775293582 /nfs/dbraw/zinc/29/35/82/775293582.db2.gz PBJPYKCLBDILIY-XKRJZGAWSA-N 1 0 282.387 -1.330 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@](C)(O)C1CC1 ZINC001125865571 775293670 /nfs/dbraw/zinc/29/36/70/775293670.db2.gz JPRKDGPXFCGPKZ-AWEZNQCLSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220043331 775294361 /nfs/dbraw/zinc/29/43/61/775294361.db2.gz NXOSNPFHHKWQHF-ZJUUUORDSA-N 1 0 255.318 -1.092 20 30 CAEDRO C[C@](O)(CC(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001125866644 775294913 /nfs/dbraw/zinc/29/49/13/775294913.db2.gz WGOVROGNHFZCJZ-ZDUSSCGKSA-N 1 0 282.344 -1.117 20 30 CAEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001267746419 775297125 /nfs/dbraw/zinc/29/71/25/775297125.db2.gz JKTYFLJIESFLCE-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO C[NH+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267749124 775299034 /nfs/dbraw/zinc/29/90/34/775299034.db2.gz KNZYGYIXQYSXOQ-LLVKDONJSA-N 1 0 281.360 -1.232 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001267750653 775299993 /nfs/dbraw/zinc/29/99/93/775299993.db2.gz KHXFRWPQQMWTNB-SNVBAGLBSA-N 1 0 290.327 -1.713 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O)nn1 ZINC001283812015 775301165 /nfs/dbraw/zinc/30/11/65/775301165.db2.gz CMBTUZKNHNGWDR-ZJUUUORDSA-N 1 0 283.332 -1.475 20 30 CAEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001267769380 775301620 /nfs/dbraw/zinc/30/16/20/775301620.db2.gz TWBDGLUSLHNEBG-LBPRGKRZSA-N 1 0 296.371 -1.043 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O)nn1 ZINC001283812007 775301935 /nfs/dbraw/zinc/30/19/35/775301935.db2.gz CMBTUZKNHNGWDR-NXEZZACHSA-N 1 0 283.332 -1.475 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001283827667 775302348 /nfs/dbraw/zinc/30/23/48/775302348.db2.gz PTSCMTZLMLLAJI-VIFPVBQESA-N 1 0 296.327 -1.258 20 30 CAEDRO CC[C@@H](CNC(=O)[C@H](C)NC(C)=O)[NH2+]CC(=O)NCC#N ZINC001267793757 775303887 /nfs/dbraw/zinc/30/38/87/775303887.db2.gz PTEHWNXVURQLFI-ONGXEEELSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1COC(=O)N1 ZINC001267800023 775303926 /nfs/dbraw/zinc/30/39/26/775303926.db2.gz QAKJKBDGYXTKEZ-NXEZZACHSA-N 1 0 296.327 -1.671 20 30 CAEDRO CC[C@H](CNC(=O)CN(C)C(C)=O)[NH2+]CC(=O)NCC#N ZINC001267795086 775304606 /nfs/dbraw/zinc/30/46/06/775304606.db2.gz BXLNJVFYYKSRBS-LLVKDONJSA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)C(N)=O ZINC001267805845 775305186 /nfs/dbraw/zinc/30/51/86/775305186.db2.gz JFSCBFQISNAHRS-JTQLQIEISA-N 1 0 296.371 -1.268 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125897805 775305306 /nfs/dbraw/zinc/30/53/06/775305306.db2.gz STWGKPCSEXSZKP-GFCCVEGCSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C(N)=O ZINC001267816424 775305807 /nfs/dbraw/zinc/30/58/07/775305807.db2.gz DGDOWPQFSPHWJG-MRVPVSSYSA-N 1 0 254.290 -2.295 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C(N)=O ZINC001267816425 775306936 /nfs/dbraw/zinc/30/69/36/775306936.db2.gz DGDOWPQFSPHWJG-QMMMGPOBSA-N 1 0 254.290 -2.295 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C(C)(C)C(N)=O ZINC001267805846 775307001 /nfs/dbraw/zinc/30/70/01/775307001.db2.gz JFSCBFQISNAHRS-SNVBAGLBSA-N 1 0 296.371 -1.268 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1nnc[nH]1 ZINC001267823413 775307694 /nfs/dbraw/zinc/30/76/94/775307694.db2.gz IDYOOHPLIRLQRR-SECBINFHSA-N 1 0 278.316 -1.348 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001267826653 775308060 /nfs/dbraw/zinc/30/80/60/775308060.db2.gz BEXTUARXJZDRDS-MNOVXSKESA-N 1 0 294.355 -1.501 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125903230 775311150 /nfs/dbraw/zinc/31/11/50/775311150.db2.gz QODJENZGSLFCRE-UHFFFAOYSA-N 1 0 269.345 -1.326 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCC1CCN(C(=O)C(N)=O)CC1 ZINC001267913225 775315618 /nfs/dbraw/zinc/31/56/18/775315618.db2.gz IDQAWMFVRPBNLO-UHFFFAOYSA-N 1 0 296.371 -1.008 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125926141 775316156 /nfs/dbraw/zinc/31/61/56/775316156.db2.gz ZTSYHHGHEKFAMK-JTQLQIEISA-N 1 0 280.332 -1.153 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945751 775321800 /nfs/dbraw/zinc/32/18/00/775321800.db2.gz OBOAMZVHHCKJDR-NWDGAFQWSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)CNC(C)=O ZINC001267975718 775321840 /nfs/dbraw/zinc/32/18/40/775321840.db2.gz CSXHPPJKGXSVFI-JTQLQIEISA-N 1 0 282.344 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125946720 775322666 /nfs/dbraw/zinc/32/26/66/775322666.db2.gz WQXRZYWWLYMYGN-NSHDSACASA-N 1 0 282.344 -2.228 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125945753 775323284 /nfs/dbraw/zinc/32/32/84/775323284.db2.gz OBOAMZVHHCKJDR-VXGBXAGGSA-N 1 0 296.371 -1.839 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268006131 775328343 /nfs/dbraw/zinc/32/83/43/775328343.db2.gz VXYUHBSPPCXDSO-ZJUUUORDSA-N 1 0 280.328 -1.050 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125956558 775329342 /nfs/dbraw/zinc/32/93/42/775329342.db2.gz LGBHZYZRMWGJNM-LLVKDONJSA-N 1 0 284.360 -1.675 20 30 CAEDRO C[C@@H](CNC(=O)c1cnon1)C[NH2+]CC(=O)NCC#N ZINC001268007993 775329882 /nfs/dbraw/zinc/32/98/82/775329882.db2.gz JKTQFNZLCPIUQU-MRVPVSSYSA-N 1 0 280.288 -1.335 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC ZINC001125978396 775331806 /nfs/dbraw/zinc/33/18/06/775331806.db2.gz QAEHPVSXEVKKRM-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001125978764 775332048 /nfs/dbraw/zinc/33/20/48/775332048.db2.gz XLBFYIHMKLHCPC-UHFFFAOYSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001125978650 775332380 /nfs/dbraw/zinc/33/23/80/775332380.db2.gz VZXIWUHVLSGNJA-UHFFFAOYSA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)CC ZINC001125978309 775332547 /nfs/dbraw/zinc/33/25/47/775332547.db2.gz NWBARDJIWXBPAY-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cncn1C ZINC001125977624 775332593 /nfs/dbraw/zinc/33/25/93/775332593.db2.gz BUSOKIASENYRMX-UHFFFAOYSA-N 1 0 277.328 -1.235 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001125978435 775332710 /nfs/dbraw/zinc/33/27/10/775332710.db2.gz REZCIAYBKCFYOT-UHFFFAOYSA-N 1 0 289.357 -2.124 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001125978185 775332778 /nfs/dbraw/zinc/33/27/78/775332778.db2.gz NPGBLLLIADDRFC-UHFFFAOYSA-N 1 0 277.328 -1.235 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001125977976 775332880 /nfs/dbraw/zinc/33/28/80/775332880.db2.gz JHIHDVYMTGOZDQ-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001125977564 775333089 /nfs/dbraw/zinc/33/30/89/775333089.db2.gz AMNJPZUAAXVQCS-UHFFFAOYSA-N 1 0 283.288 -2.973 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCCCC ZINC001125978802 775333215 /nfs/dbraw/zinc/33/32/15/775333215.db2.gz YRFMAHAENQGCEB-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125977845 775333365 /nfs/dbraw/zinc/33/33/65/775333365.db2.gz HEUWKMORJGOFEC-UHFFFAOYSA-N 1 0 279.300 -2.529 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCCC ZINC001125978600 775333384 /nfs/dbraw/zinc/33/33/84/775333384.db2.gz VCQCYEGFVRDTJM-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCc1ccnn1C ZINC001125981801 775334044 /nfs/dbraw/zinc/33/40/44/775334044.db2.gz KZCFBHYHZGBBSL-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001125982036 775334136 /nfs/dbraw/zinc/33/41/36/775334136.db2.gz PKKPGNYVWGIQIA-SNVBAGLBSA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001125982035 775334160 /nfs/dbraw/zinc/33/41/60/775334160.db2.gz PKKPGNYVWGIQIA-JTQLQIEISA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCOCCO ZINC001125981617 775334506 /nfs/dbraw/zinc/33/45/06/775334506.db2.gz CHFHQWDDKWWSMT-UHFFFAOYSA-N 1 0 271.317 -2.159 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001125982170 775334516 /nfs/dbraw/zinc/33/45/16/775334516.db2.gz RHDMRLOQBAFETB-SECBINFHSA-N 1 0 294.311 -2.363 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001125981672 775334803 /nfs/dbraw/zinc/33/48/03/775334803.db2.gz FHAPEXLFWAFMIK-VIFPVBQESA-N 1 0 266.301 -2.280 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001125981624 775334951 /nfs/dbraw/zinc/33/49/51/775334951.db2.gz CPNFVOKCDVWIQD-JTQLQIEISA-N 1 0 271.317 -2.161 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001125994480 775335802 /nfs/dbraw/zinc/33/58/02/775335802.db2.gz CECYYCPJRMOOJQ-UHFFFAOYSA-N 1 0 295.343 -2.143 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCOCC ZINC001125997985 775335887 /nfs/dbraw/zinc/33/58/87/775335887.db2.gz JCAJRSMXXJHZDI-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001125998097 775336092 /nfs/dbraw/zinc/33/60/92/775336092.db2.gz JXVPEQKGJZSDFJ-JTQLQIEISA-N 1 0 280.328 -1.938 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001125998130 775336118 /nfs/dbraw/zinc/33/61/18/775336118.db2.gz KVQIVVMVBBKRAG-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125988247 775336194 /nfs/dbraw/zinc/33/61/94/775336194.db2.gz RFRSMFRYSHDSBC-UHFFFAOYSA-N 1 0 273.296 -1.045 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125987769 775336632 /nfs/dbraw/zinc/33/66/32/775336632.db2.gz CGXGJTDXBXTHML-UHFFFAOYSA-N 1 0 274.284 -1.154 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001125998672 775337934 /nfs/dbraw/zinc/33/79/34/775337934.db2.gz SOGIBHFLZKUGQG-QMMMGPOBSA-N 1 0 297.315 -2.585 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NCC ZINC001126002640 775337987 /nfs/dbraw/zinc/33/79/87/775337987.db2.gz LMTMIBWKZMSLIO-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NCC ZINC001126003358 775338120 /nfs/dbraw/zinc/33/81/20/775338120.db2.gz TXCFCFBHBPPFLR-UHFFFAOYSA-N 1 0 270.333 -1.479 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCC[C@@H](C)O ZINC001125998656 775338943 /nfs/dbraw/zinc/33/89/43/775338943.db2.gz SILVBPVJIRCLEM-LLVKDONJSA-N 1 0 269.345 -1.007 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001125998669 775339048 /nfs/dbraw/zinc/33/90/48/775339048.db2.gz SOGIBHFLZKUGQG-MRVPVSSYSA-N 1 0 297.315 -2.585 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126020847 775339678 /nfs/dbraw/zinc/33/96/78/775339678.db2.gz CNLJVBCFCDHPAE-UHFFFAOYSA-N 1 0 282.304 -2.008 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011289 775340070 /nfs/dbraw/zinc/34/00/70/775340070.db2.gz BCSCCKLTMFCGEY-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126011747 775340595 /nfs/dbraw/zinc/34/05/95/775340595.db2.gz MTDRMWPAJRISSH-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO COc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)on1 ZINC001126032456 775343736 /nfs/dbraw/zinc/34/37/36/775343736.db2.gz KEZOXLLZXDGEOC-UHFFFAOYSA-N 1 0 281.272 -1.358 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126032655 775343970 /nfs/dbraw/zinc/34/39/70/775343970.db2.gz MSNONCMNWDZAKR-VIFPVBQESA-N 1 0 294.315 -2.173 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126087298 775347046 /nfs/dbraw/zinc/34/70/46/775347046.db2.gz XHCADMFBGRAGLU-SECBINFHSA-N 1 0 292.343 -1.540 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099758 775347770 /nfs/dbraw/zinc/34/77/70/775347770.db2.gz XSCUUVRWHIJZHJ-UHFFFAOYSA-N 1 0 278.316 -1.929 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)NC ZINC001126158186 775352581 /nfs/dbraw/zinc/35/25/81/775352581.db2.gz BGMPWCMEYGECTF-SECBINFHSA-N 1 0 268.317 -2.034 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)NC ZINC001126158190 775352976 /nfs/dbraw/zinc/35/29/76/775352976.db2.gz BKFXZBHHNLDYGT-VIFPVBQESA-N 1 0 270.333 -1.481 20 30 CAEDRO Cc1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)co1 ZINC001126161312 775354449 /nfs/dbraw/zinc/35/44/49/775354449.db2.gz HLQQWJJYBBAUNA-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(N)=O)C1=O ZINC001126195717 775359140 /nfs/dbraw/zinc/35/91/40/775359140.db2.gz UEHPJIMYOQGGMI-VHSXEESVSA-N 1 0 297.359 -1.464 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126196057 775359199 /nfs/dbraw/zinc/35/91/99/775359199.db2.gz YJBHDFAHQAVXSC-BDAKNGLRSA-N 1 0 283.332 -2.113 20 30 CAEDRO C[C@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126199560 775359996 /nfs/dbraw/zinc/35/99/96/775359996.db2.gz VTAJKVDUXYUETL-ZETCQYMHSA-N 1 0 270.293 -2.611 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126199810 775360045 /nfs/dbraw/zinc/36/00/45/775360045.db2.gz XSWOCVJYCNILIG-QMMMGPOBSA-N 1 0 271.321 -1.949 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126198760 775360275 /nfs/dbraw/zinc/36/02/75/775360275.db2.gz HYAXCOOFXUZDRF-BDAKNGLRSA-N 1 0 285.348 -1.560 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)N(C)C ZINC001167788549 775360900 /nfs/dbraw/zinc/36/09/00/775360900.db2.gz JBLZARMNSFPAPW-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO C=CCNC(=O)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722284355 775362593 /nfs/dbraw/zinc/36/25/93/775362593.db2.gz YDGPFDNLEOMBQL-SECBINFHSA-N 1 0 261.347 -1.040 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126270303 775367510 /nfs/dbraw/zinc/36/75/10/775367510.db2.gz GSUVYRMAPNFREW-UHFFFAOYSA-N 1 0 278.316 -1.877 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001268048413 775367585 /nfs/dbraw/zinc/36/75/85/775367585.db2.gz FMCNAWHPLVTLCL-SNVBAGLBSA-N 1 0 295.347 -1.588 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC(=O)N(C)C ZINC001167803052 775367828 /nfs/dbraw/zinc/36/78/28/775367828.db2.gz AIBSMZGBTWPYKV-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001268048412 775368596 /nfs/dbraw/zinc/36/85/96/775368596.db2.gz FMCNAWHPLVTLCL-JTQLQIEISA-N 1 0 295.347 -1.588 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281149 775369617 /nfs/dbraw/zinc/36/96/17/775369617.db2.gz FABQTKGFFHKHAI-LLVKDONJSA-N 1 0 292.343 -1.488 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CC(N)=O ZINC001268056565 775370329 /nfs/dbraw/zinc/37/03/29/775370329.db2.gz TUYVYKUSMZPMPZ-MRVPVSSYSA-N 1 0 269.305 -2.062 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281150 775370971 /nfs/dbraw/zinc/37/09/71/775370971.db2.gz FABQTKGFFHKHAI-NSHDSACASA-N 1 0 292.343 -1.488 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126292338 775373663 /nfs/dbraw/zinc/37/36/63/775373663.db2.gz QQTKAWOWBCHSPB-UHFFFAOYSA-N 1 0 267.285 -1.053 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001268080849 775374444 /nfs/dbraw/zinc/37/44/44/775374444.db2.gz MSKNEJQJFYASEG-ZJUUUORDSA-N 1 0 297.359 -1.594 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001268080836 775375072 /nfs/dbraw/zinc/37/50/72/775375072.db2.gz MSKNEJQJFYASEG-NXEZZACHSA-N 1 0 297.359 -1.594 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001268081265 775375382 /nfs/dbraw/zinc/37/53/82/775375382.db2.gz QPOUCSLHGVLZAF-DTWKUNHWSA-N 1 0 296.331 -2.256 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268081746 775376204 /nfs/dbraw/zinc/37/62/04/775376204.db2.gz WFBXREGUTDXOBT-SECBINFHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126302104 775378276 /nfs/dbraw/zinc/37/82/76/775378276.db2.gz UBGVUDVWDLOPFJ-SNVBAGLBSA-N 1 0 296.371 -1.139 20 30 CAEDRO C=CCn1cc(C(=O)NCCC[NH2+]CC(=O)NC)nn1 ZINC001167831976 775378305 /nfs/dbraw/zinc/37/83/05/775378305.db2.gz QVFMYIYZMLZQGI-UHFFFAOYSA-N 1 0 280.332 -1.080 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1cncn1 ZINC001268096950 775378491 /nfs/dbraw/zinc/37/84/91/775378491.db2.gz WTSHTNLRPBQPJJ-JTQLQIEISA-N 1 0 293.331 -1.646 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126302227 775378700 /nfs/dbraw/zinc/37/87/00/775378700.db2.gz ZGIVBIXFSGBACF-UHFFFAOYSA-N 1 0 282.300 -1.400 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126302136 775378866 /nfs/dbraw/zinc/37/88/66/775378866.db2.gz VJIDYUGRVMQAKQ-VIFPVBQESA-N 1 0 294.311 -1.564 20 30 CAEDRO C=CCn1cc(C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)nn1 ZINC001268090447 775379020 /nfs/dbraw/zinc/37/90/20/775379020.db2.gz UQSSQIDIZGMELH-VIFPVBQESA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001268098383 775379205 /nfs/dbraw/zinc/37/92/05/775379205.db2.gz FREIYINNWRQIAR-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCn1cc(C(=O)NCCC[NH2+]CC(N)=O)nn1 ZINC001167838242 775379280 /nfs/dbraw/zinc/37/92/80/775379280.db2.gz ANSPKFXQWRKBAM-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CNC(=O)CC ZINC001282113503 775382202 /nfs/dbraw/zinc/38/22/02/775382202.db2.gz PBEPQJZXTXYMBK-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136701 775382220 /nfs/dbraw/zinc/38/22/20/775382220.db2.gz KRRHNWKWMDUMIM-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C=CC[N@@H+](C)CCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001268239596 775386067 /nfs/dbraw/zinc/38/60/67/775386067.db2.gz CKRXPMSCCQQPCK-UHFFFAOYSA-N 1 0 284.360 -1.185 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)CS(=O)(=O)NC)C(C)C ZINC001268227018 775386528 /nfs/dbraw/zinc/38/65/28/775386528.db2.gz HEYBWSYHOFLSQW-SNVBAGLBSA-N 1 0 275.374 -1.101 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)CN1C(=O)CNC1=O)C(C)C ZINC001268227075 775387049 /nfs/dbraw/zinc/38/70/49/775387049.db2.gz PTTVGXFECPCINV-JTQLQIEISA-N 1 0 280.328 -1.098 20 30 CAEDRO C#CCNC(=O)CN(C)CCN(C)C(=O)Cn1cncn1 ZINC001268255865 775389700 /nfs/dbraw/zinc/38/97/00/775389700.db2.gz HAQLTCHPZXAVPR-UHFFFAOYSA-N 1 0 292.343 -1.582 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001268285389 775390594 /nfs/dbraw/zinc/39/05/94/775390594.db2.gz HIENYFZQDSSGTB-VHSXEESVSA-N 1 0 282.344 -1.352 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnsn1 ZINC001268297702 775392323 /nfs/dbraw/zinc/39/23/23/775392323.db2.gz HFUYGUGJBSRJCY-MRVPVSSYSA-N 1 0 297.340 -2.032 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268297629 775392942 /nfs/dbraw/zinc/39/29/42/775392942.db2.gz KKTZHCKESXPNQT-ZJUUUORDSA-N 1 0 298.343 -2.285 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnsn1 ZINC001268300588 775394122 /nfs/dbraw/zinc/39/41/22/775394122.db2.gz QAXXQIVCQWHCTA-MRVPVSSYSA-N 1 0 299.356 -1.479 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCCC(=O)NC ZINC001268304130 775394280 /nfs/dbraw/zinc/39/42/80/775394280.db2.gz LEXWBDJKWOPDHO-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO C#CCCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001126339286 775394783 /nfs/dbraw/zinc/39/47/83/775394783.db2.gz VPEYXDUKMUWPMP-UHFFFAOYSA-N 1 0 254.290 -1.309 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001268300912 775394846 /nfs/dbraw/zinc/39/48/46/775394846.db2.gz KEQVECBRIFUPFW-WDEREUQCSA-N 1 0 298.343 -1.738 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268304390 775395232 /nfs/dbraw/zinc/39/52/32/775395232.db2.gz KNWOJZIAVHRBIN-JTQLQIEISA-N 1 0 295.343 -1.666 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC001268304676 775395371 /nfs/dbraw/zinc/39/53/71/775395371.db2.gz NMCZOJHHLNONFB-CYBMUJFWSA-N 1 0 293.367 -1.007 20 30 CAEDRO CC[C@H]([NH2+]C[C@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001268305291 775395902 /nfs/dbraw/zinc/39/59/02/775395902.db2.gz QOOUTYLARUBSPJ-QWRGUYRKSA-N 1 0 267.329 -1.270 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001268305694 775395988 /nfs/dbraw/zinc/39/59/88/775395988.db2.gz SRRXNEFVLKJVHY-JGVFFNPUSA-N 1 0 290.270 -1.652 20 30 CAEDRO CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001268305292 775396031 /nfs/dbraw/zinc/39/60/31/775396031.db2.gz QOOUTYLARUBSPJ-WDEREUQCSA-N 1 0 267.329 -1.270 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC1(C)C ZINC001268303409 775396235 /nfs/dbraw/zinc/39/62/35/775396235.db2.gz DNKRNSLCEIPSFJ-GHMZBOCLSA-N 1 0 281.356 -1.151 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001268308268 775396499 /nfs/dbraw/zinc/39/64/99/775396499.db2.gz LGXDYGUQNXYWJK-FZMZJTMJSA-N 1 0 281.356 -1.007 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCNC(=O)NC ZINC001268305689 775396533 /nfs/dbraw/zinc/39/65/33/775396533.db2.gz SRGDDSMQZUQYRM-JTQLQIEISA-N 1 0 270.333 -1.605 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1=O ZINC001268309316 775396649 /nfs/dbraw/zinc/39/66/49/775396649.db2.gz ULQDODKQFFIHFC-LLVKDONJSA-N 1 0 285.344 -1.512 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001268305738 775396658 /nfs/dbraw/zinc/39/66/58/775396658.db2.gz WOLQZKIHBVNLCG-IUCAKERBSA-N 1 0 256.306 -1.867 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC1(C)C ZINC001268303410 775396847 /nfs/dbraw/zinc/39/68/47/775396847.db2.gz DNKRNSLCEIPSFJ-WDEREUQCSA-N 1 0 281.356 -1.151 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001268305737 775396874 /nfs/dbraw/zinc/39/68/74/775396874.db2.gz WOLQZKIHBVNLCG-DTWKUNHWSA-N 1 0 256.306 -1.867 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268306025 775396900 /nfs/dbraw/zinc/39/69/00/775396900.db2.gz VLNUKIQMIFSEFN-GHMZBOCLSA-N 1 0 293.323 -1.728 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001268308274 775397097 /nfs/dbraw/zinc/39/70/97/775397097.db2.gz LGXDYGUQNXYWJK-SMDDNHRTSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001268307751 775397730 /nfs/dbraw/zinc/39/77/30/775397730.db2.gz JVIGBFCMTXWRCM-LLVKDONJSA-N 1 0 278.312 -1.556 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268306026 775397765 /nfs/dbraw/zinc/39/77/65/775397765.db2.gz VLNUKIQMIFSEFN-MNOVXSKESA-N 1 0 293.323 -1.728 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)COC(C)(C)C ZINC001268306121 775397786 /nfs/dbraw/zinc/39/77/86/775397786.db2.gz ZDTFPUVBXVAWBH-NSHDSACASA-N 1 0 299.371 -1.382 20 30 CAEDRO CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001268307775 775397896 /nfs/dbraw/zinc/39/78/96/775397896.db2.gz KGMHYLORJUWLPP-NEPJUHHUSA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001268312565 775398393 /nfs/dbraw/zinc/39/83/93/775398393.db2.gz YIXWHYOQPSOVGT-ZJUUUORDSA-N 1 0 253.302 -1.788 20 30 CAEDRO CCC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001268307778 775398528 /nfs/dbraw/zinc/39/85/28/775398528.db2.gz KGMHYLORJUWLPP-VXGBXAGGSA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001268312564 775398570 /nfs/dbraw/zinc/39/85/70/775398570.db2.gz YIXWHYOQPSOVGT-VHSXEESVSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn2c1OCCC2 ZINC001268312496 775398702 /nfs/dbraw/zinc/39/87/02/775398702.db2.gz GEPISRCQYSGISE-JTQLQIEISA-N 1 0 278.312 -1.021 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1OC ZINC001268315291 775399243 /nfs/dbraw/zinc/39/92/43/775399243.db2.gz AHERTBZXULXYEN-SECBINFHSA-N 1 0 266.301 -1.258 20 30 CAEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268316145 775399427 /nfs/dbraw/zinc/39/94/27/775399427.db2.gz IAWPADKHBQZSHM-SNVBAGLBSA-N 1 0 282.344 -1.095 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001268313460 775399632 /nfs/dbraw/zinc/39/96/32/775399632.db2.gz DSSISAFREIQJBG-JTQLQIEISA-N 1 0 283.332 -1.775 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001268316130 775399641 /nfs/dbraw/zinc/39/96/41/775399641.db2.gz HQUIWOXNWIGLRU-VHSXEESVSA-N 1 0 253.302 -1.788 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001268313461 775399710 /nfs/dbraw/zinc/39/97/10/775399710.db2.gz DSSISAFREIQJBG-SNVBAGLBSA-N 1 0 283.332 -1.775 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001268314899 775399905 /nfs/dbraw/zinc/39/99/05/775399905.db2.gz AOCUFCURAMMENO-SNVBAGLBSA-N 1 0 281.316 -2.328 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1OC ZINC001268315296 775399913 /nfs/dbraw/zinc/39/99/13/775399913.db2.gz AHERTBZXULXYEN-VIFPVBQESA-N 1 0 266.301 -1.258 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CN1CCCNC1=O ZINC001268316190 775400184 /nfs/dbraw/zinc/40/01/84/775400184.db2.gz RAAWRZJPCRCHHD-NSHDSACASA-N 1 0 282.344 -1.508 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001268313799 775400369 /nfs/dbraw/zinc/40/03/69/775400369.db2.gz FULDLPANEYTEIM-NSHDSACASA-N 1 0 288.311 -1.172 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001268316764 775401045 /nfs/dbraw/zinc/40/10/45/775401045.db2.gz VOVBBCZMXQFKAB-VXGBXAGGSA-N 1 0 271.361 -1.040 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001268318731 775401135 /nfs/dbraw/zinc/40/11/35/775401135.db2.gz YWEVNWJUKQOXGB-VIFPVBQESA-N 1 0 294.315 -2.457 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CNS(=O)(=O)NC ZINC001268317414 775401467 /nfs/dbraw/zinc/40/14/67/775401467.db2.gz MBBVRAGYFQJXKZ-VIFPVBQESA-N 1 0 292.361 -2.870 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnnc1 ZINC001268320321 775401984 /nfs/dbraw/zinc/40/19/84/775401984.db2.gz HDIAUBJQNQDQJY-LBPRGKRZSA-N 1 0 278.312 -1.193 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001268327363 775402881 /nfs/dbraw/zinc/40/28/81/775402881.db2.gz QRTZWBIVIVXRCP-SNVBAGLBSA-N 1 0 268.321 -1.294 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnon1 ZINC001268325293 775403366 /nfs/dbraw/zinc/40/33/66/775403366.db2.gz CZRMTCJNCWSYLL-QMMMGPOBSA-N 1 0 281.272 -2.501 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001268322597 775403693 /nfs/dbraw/zinc/40/36/93/775403693.db2.gz ROFVEJRTOLAXOW-SECBINFHSA-N 1 0 278.312 -1.183 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001268322600 775403781 /nfs/dbraw/zinc/40/37/81/775403781.db2.gz ROFVEJRTOLAXOW-VIFPVBQESA-N 1 0 278.312 -1.183 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1oncc1C ZINC001268329959 775405016 /nfs/dbraw/zinc/40/50/16/775405016.db2.gz ZKROTFZWBGVPBH-JTQLQIEISA-N 1 0 296.327 -1.034 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001268327943 775405112 /nfs/dbraw/zinc/40/51/12/775405112.db2.gz UPRXCUORKDFWNK-SMDDNHRTSA-N 1 0 299.371 -1.218 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001268327940 775405173 /nfs/dbraw/zinc/40/51/73/775405173.db2.gz UPRXCUORKDFWNK-BXUZGUMPSA-N 1 0 299.371 -1.218 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268331852 775405220 /nfs/dbraw/zinc/40/52/20/775405220.db2.gz LBGRVIYQSXFXMQ-MRVPVSSYSA-N 1 0 268.273 -2.762 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001268328897 775405241 /nfs/dbraw/zinc/40/52/41/775405241.db2.gz QXANXKKBIJJFBQ-VIFPVBQESA-N 1 0 282.300 -2.420 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001268328896 775405319 /nfs/dbraw/zinc/40/53/19/775405319.db2.gz QXANXKKBIJJFBQ-SECBINFHSA-N 1 0 282.300 -2.420 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001268328055 775405534 /nfs/dbraw/zinc/40/55/34/775405534.db2.gz LNAMOFOQLGLZLQ-SNVBAGLBSA-N 1 0 296.327 -2.030 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1oncc1C ZINC001268329960 775405707 /nfs/dbraw/zinc/40/57/07/775405707.db2.gz ZKROTFZWBGVPBH-SNVBAGLBSA-N 1 0 296.327 -1.034 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001268335389 775406276 /nfs/dbraw/zinc/40/62/76/775406276.db2.gz SXTTXGZCNHMLBP-JTQLQIEISA-N 1 0 282.344 -1.020 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001268334760 775406363 /nfs/dbraw/zinc/40/63/63/775406363.db2.gz MJVUPDFKXRETHN-NSHDSACASA-N 1 0 293.327 -1.736 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268333437 775406469 /nfs/dbraw/zinc/40/64/69/775406469.db2.gz STEVOMSJNDODDK-VIFPVBQESA-N 1 0 282.300 -2.372 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCS(=O)(=O)N(C)C ZINC001268333502 775406990 /nfs/dbraw/zinc/40/69/90/775406990.db2.gz DUEIWJLZUUCXCP-JTQLQIEISA-N 1 0 291.373 -2.032 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268333421 775407299 /nfs/dbraw/zinc/40/72/99/775407299.db2.gz STEVOMSJNDODDK-SECBINFHSA-N 1 0 282.300 -2.372 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CS(=O)(=O)N(C)C ZINC001268333197 775407306 /nfs/dbraw/zinc/40/73/06/775407306.db2.gz RKCQSBVCTYGZSK-SNVBAGLBSA-N 1 0 291.373 -2.032 20 30 CAEDRO C=CCC1(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CCOCC1 ZINC001268334404 775407309 /nfs/dbraw/zinc/40/73/09/775407309.db2.gz YXQCOOGYUYUQRX-NSHDSACASA-N 1 0 299.371 -1.089 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001268339851 775407986 /nfs/dbraw/zinc/40/79/86/775407986.db2.gz XJRSYZOENBAHLW-SNVBAGLBSA-N 1 0 276.296 -1.506 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001268335733 775408577 /nfs/dbraw/zinc/40/85/77/775408577.db2.gz OHOPRNUPOSMLNB-SNVBAGLBSA-N 1 0 281.312 -1.775 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268335932 775408592 /nfs/dbraw/zinc/40/85/92/775408592.db2.gz AXVGCMVMPIEMMO-NXEZZACHSA-N 1 0 283.328 -1.318 20 30 CAEDRO COC(=O)NCC(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001268352951 775409754 /nfs/dbraw/zinc/40/97/54/775409754.db2.gz YTZCLRLCSFWBPH-VIFPVBQESA-N 1 0 299.331 -1.533 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1ncnn1 ZINC001268365858 775409927 /nfs/dbraw/zinc/40/99/27/775409927.db2.gz LDYWKCCQSYMAFJ-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO CNC(=O)NCC(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001268372201 775409931 /nfs/dbraw/zinc/40/99/31/775409931.db2.gz WUDOLNLZASSKDC-VIFPVBQESA-N 1 0 298.347 -1.960 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cn(C)nn1 ZINC001268448913 775413765 /nfs/dbraw/zinc/41/37/65/775413765.db2.gz PLLVBWKYRLFROV-UHFFFAOYSA-N 1 0 293.331 -1.493 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)CN(C)C(C)=O ZINC001268435722 775414142 /nfs/dbraw/zinc/41/41/42/775414142.db2.gz GZLOUBWZLPGJEQ-UHFFFAOYSA-N 1 0 297.359 -1.457 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)CC(N)=O ZINC001268440517 775414701 /nfs/dbraw/zinc/41/47/01/775414701.db2.gz KXOLKHCGRCUBBX-UHFFFAOYSA-N 1 0 268.317 -1.951 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126360761 775419897 /nfs/dbraw/zinc/41/98/97/775419897.db2.gz QDCMYQICSHSWRV-LBPRGKRZSA-N 1 0 268.317 -1.341 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCNC1=O ZINC001268469267 775419943 /nfs/dbraw/zinc/41/99/43/775419943.db2.gz JPUKHYFOBKTEST-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001126365305 775421722 /nfs/dbraw/zinc/42/17/22/775421722.db2.gz ILTRDGZWGYMRBE-NSHDSACASA-N 1 0 272.305 -1.786 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001126365912 775422145 /nfs/dbraw/zinc/42/21/45/775422145.db2.gz OJNKEKWUMPSOGV-CABZTGNLSA-N 1 0 255.318 -1.092 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001126365908 775422558 /nfs/dbraw/zinc/42/25/58/775422558.db2.gz OJNKEKWUMPSOGV-BXKDBHETSA-N 1 0 255.318 -1.092 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211752497 775422833 /nfs/dbraw/zinc/42/28/33/775422833.db2.gz RPEWOFKPDHCAHN-IJLUTSLNSA-N 1 0 297.355 -1.414 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001126366737 775423422 /nfs/dbraw/zinc/42/34/22/775423422.db2.gz ZDJRUPQGVVFMBW-RNCFNFMXSA-N 1 0 283.328 -1.176 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001126366739 775423525 /nfs/dbraw/zinc/42/35/25/775423525.db2.gz ZDJRUPQGVVFMBW-ZANVPECISA-N 1 0 283.328 -1.176 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211781551 775423603 /nfs/dbraw/zinc/42/36/03/775423603.db2.gz DJZNEDBUACVYRZ-VXGBXAGGSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211774210 775424341 /nfs/dbraw/zinc/42/43/41/775424341.db2.gz QVFSUZQDISTUJE-GHMZBOCLSA-N 1 0 253.302 -1.429 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001126366736 775424606 /nfs/dbraw/zinc/42/46/06/775424606.db2.gz ZDJRUPQGVVFMBW-NOZJJQNGSA-N 1 0 283.328 -1.176 20 30 CAEDRO C[C@@H](C#N)C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O ZINC001268517987 775426267 /nfs/dbraw/zinc/42/62/67/775426267.db2.gz DQFWPVHMNNVDRN-XOULXFPDSA-N 1 0 288.373 -1.043 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1COC(=O)N1 ZINC001268536914 775427296 /nfs/dbraw/zinc/42/72/96/775427296.db2.gz QEVPQAATGBMGEJ-HMDXOVGESA-N 1 0 296.327 -1.341 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1COC(=O)N1 ZINC001268536916 775427316 /nfs/dbraw/zinc/42/73/16/775427316.db2.gz QEVPQAATGBMGEJ-XOULXFPDSA-N 1 0 296.327 -1.341 20 30 CAEDRO Cn1cc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)nn1 ZINC001268534958 775427662 /nfs/dbraw/zinc/42/76/62/775427662.db2.gz XONYZBJABLMFIP-IHWYPQMZSA-N 1 0 291.315 -1.670 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC(=O)N1 ZINC001268521764 775427680 /nfs/dbraw/zinc/42/76/80/775427680.db2.gz IZKSQJRWGBEIJR-DLRQAJBASA-N 1 0 294.355 -1.171 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001268543865 775429404 /nfs/dbraw/zinc/42/94/04/775429404.db2.gz YYEYXIPDGOCBCO-ONEGZZNKSA-N 1 0 276.300 -1.728 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001126385920 775437073 /nfs/dbraw/zinc/43/70/73/775437073.db2.gz ZUHSTZICPHERCV-QPUJVOFHSA-N 1 0 286.332 -1.397 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001268590080 775437907 /nfs/dbraw/zinc/43/79/07/775437907.db2.gz JLVSDSKWEWUMNY-ARJAWSKDSA-N 1 0 297.340 -1.434 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)Cc1ncc[nH]1 ZINC001279867553 775459175 /nfs/dbraw/zinc/45/91/75/775459175.db2.gz CJAAXIVJYAVTSB-UHFFFAOYSA-N 1 0 250.302 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001268644226 775461085 /nfs/dbraw/zinc/46/10/85/775461085.db2.gz URVUDPHALPWLBA-SECBINFHSA-N 1 0 278.316 -1.728 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H](C)C#N ZINC001268639902 775461137 /nfs/dbraw/zinc/46/11/37/775461137.db2.gz OVXPMDQHCWSZDS-DTWKUNHWSA-N 1 0 251.290 -1.120 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccnn1C ZINC001126392989 775461216 /nfs/dbraw/zinc/46/12/16/775461216.db2.gz GXWKAHPCLGGKHC-UHFFFAOYSA-N 1 0 277.328 -1.582 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)COC ZINC001268633186 775461373 /nfs/dbraw/zinc/46/13/73/775461373.db2.gz OKKKAKSNLGSBKI-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001268643747 775461479 /nfs/dbraw/zinc/46/14/79/775461479.db2.gz ANYKDLLCYJVGEB-ZJUUUORDSA-N 1 0 269.301 -1.161 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268639905 775461811 /nfs/dbraw/zinc/46/18/11/775461811.db2.gz OVXPMDQHCWSZDS-RKDXNWHRSA-N 1 0 251.290 -1.120 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001268640852 775462147 /nfs/dbraw/zinc/46/21/47/775462147.db2.gz WGXLFQWLLOSMLR-SNVBAGLBSA-N 1 0 276.358 -1.225 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268647855 775462641 /nfs/dbraw/zinc/46/26/41/775462641.db2.gz JRQCLUQWRNHLEW-LLVKDONJSA-N 1 0 292.339 -1.335 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001268657790 775463088 /nfs/dbraw/zinc/46/30/88/775463088.db2.gz INTPAENHFHGXHQ-RKDXNWHRSA-N 1 0 293.331 -1.944 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001268652667 775463533 /nfs/dbraw/zinc/46/35/33/775463533.db2.gz NZGOWEVDFKNIMX-SNVBAGLBSA-N 1 0 265.317 -1.301 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001268645907 775463470 /nfs/dbraw/zinc/46/34/70/775463470.db2.gz JMDBSTNRMWJMKQ-BDAKNGLRSA-N 1 0 284.316 -1.686 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001268645910 775463768 /nfs/dbraw/zinc/46/37/68/775463768.db2.gz JMDBSTNRMWJMKQ-RKDXNWHRSA-N 1 0 284.316 -1.686 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)COCC ZINC001268677510 775466209 /nfs/dbraw/zinc/46/62/09/775466209.db2.gz GITSTTGZUFZZQL-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001268684995 775466425 /nfs/dbraw/zinc/46/64/25/775466425.db2.gz XWIPVPSZOIFCAA-RYUDHWBXSA-N 1 0 298.387 -1.287 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CCOCC1 ZINC001268681427 775466575 /nfs/dbraw/zinc/46/65/75/775466575.db2.gz IDBRKCKXQSACOM-LBPRGKRZSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccn[nH]1 ZINC001268678975 775466752 /nfs/dbraw/zinc/46/67/52/775466752.db2.gz VDKXQJNJDDXNRB-VIFPVBQESA-N 1 0 263.301 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)COC ZINC001268676421 775466869 /nfs/dbraw/zinc/46/68/69/775466869.db2.gz WFJOWEQSVXMELQ-UWVGGRQHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnccn1 ZINC001268677401 775467059 /nfs/dbraw/zinc/46/70/59/775467059.db2.gz BHKOYOUCPGKVPP-VIFPVBQESA-N 1 0 276.300 -1.176 20 30 CAEDRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H](C)C#N ZINC001268681210 775467412 /nfs/dbraw/zinc/46/74/12/775467412.db2.gz CSSVOYOPQFJNQX-IUCAKERBSA-N 1 0 281.316 -1.208 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001268691427 775468543 /nfs/dbraw/zinc/46/85/43/775468543.db2.gz YNPUOAQQSGEPOA-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCNC1=O ZINC001268698863 775468614 /nfs/dbraw/zinc/46/86/14/775468614.db2.gz ZXCCSNBFQZHMGO-DTWKUNHWSA-N 1 0 281.316 -2.143 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001268691188 775468849 /nfs/dbraw/zinc/46/88/49/775468849.db2.gz OHHUWZUQEAQQOG-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001268691428 775468866 /nfs/dbraw/zinc/46/88/66/775468866.db2.gz YNPUOAQQSGEPOA-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268699075 775469040 /nfs/dbraw/zinc/46/90/40/775469040.db2.gz DKTPGQODWPJVBP-UWVGGRQHSA-N 1 0 295.343 -2.146 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCn1cnnn1 ZINC001268709929 775469709 /nfs/dbraw/zinc/46/97/09/775469709.db2.gz XBBNAFYKWGXQMX-VIFPVBQESA-N 1 0 294.319 -2.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCn1cnnn1 ZINC001268709186 775470084 /nfs/dbraw/zinc/47/00/84/775470084.db2.gz JDHBYDKELDDFHL-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCOC1 ZINC001268701505 775470145 /nfs/dbraw/zinc/47/01/45/775470145.db2.gz UYQIVHVHYVUKJB-GXFFZTMASA-N 1 0 285.319 -1.041 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCOC1 ZINC001268701504 775470248 /nfs/dbraw/zinc/47/02/48/775470248.db2.gz UYQIVHVHYVUKJB-GWCFXTLKSA-N 1 0 285.319 -1.041 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C(=O)NCC1CC1 ZINC001268707612 775470406 /nfs/dbraw/zinc/47/04/06/775470406.db2.gz IBBOCPBOHXPBOD-VIFPVBQESA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1c[nH]c(=O)n1C ZINC001268698313 775470444 /nfs/dbraw/zinc/47/04/44/775470444.db2.gz PHYTUXSFWOZRAX-QMMMGPOBSA-N 1 0 294.315 -1.527 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnon1 ZINC001268708846 775470730 /nfs/dbraw/zinc/47/07/30/775470730.db2.gz GNYHHXZKVORZIR-DTWKUNHWSA-N 1 0 279.300 -1.085 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001268729805 775472349 /nfs/dbraw/zinc/47/23/49/775472349.db2.gz FBRBEORNZXZPTM-NSHDSACASA-N 1 0 280.332 -1.241 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001268733302 775472444 /nfs/dbraw/zinc/47/24/44/775472444.db2.gz VWNZYPMBBKKXIG-SNVBAGLBSA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001268758956 775473546 /nfs/dbraw/zinc/47/35/46/775473546.db2.gz HNRFEOMPHQNLGN-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001268756701 775474161 /nfs/dbraw/zinc/47/41/61/775474161.db2.gz MDCJUHRVLRDAFD-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001268756488 775474247 /nfs/dbraw/zinc/47/42/47/775474247.db2.gz KYCIJBQHBWOOST-JTQLQIEISA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CC(N)=O ZINC001268784900 775474847 /nfs/dbraw/zinc/47/48/47/775474847.db2.gz JQMIZRRAQHOUQL-JTQLQIEISA-N 1 0 282.344 -1.562 20 30 CAEDRO COCC#CC[NH2+]CCCN(C)C(=O)CC(N)=O ZINC001268784988 775475184 /nfs/dbraw/zinc/47/51/84/775475184.db2.gz MSODFEZEUHASDH-UHFFFAOYSA-N 1 0 255.318 -1.050 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CC(N)=O ZINC001268784901 775475571 /nfs/dbraw/zinc/47/55/71/775475571.db2.gz JQMIZRRAQHOUQL-SNVBAGLBSA-N 1 0 282.344 -1.562 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1cn(C)nn1 ZINC001268792194 775475979 /nfs/dbraw/zinc/47/59/79/775475979.db2.gz PUMYALRWUQEVPG-UHFFFAOYSA-N 1 0 293.331 -1.493 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C(N)=O ZINC001268832644 775476471 /nfs/dbraw/zinc/47/64/71/775476471.db2.gz ZXESPPBAOSOOLI-VIFPVBQESA-N 1 0 270.333 -1.400 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001268858373 775478217 /nfs/dbraw/zinc/47/82/17/775478217.db2.gz JAAYARPTTRMDMT-UHFFFAOYSA-N 1 0 288.373 -1.889 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001268934409 775480343 /nfs/dbraw/zinc/48/03/43/775480343.db2.gz GEOAYHDDQJYMHA-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cc(C(N)=O)ccn1 ZINC001279920111 775484595 /nfs/dbraw/zinc/48/45/95/775484595.db2.gz PROIOGDADXVHIO-UHFFFAOYSA-N 1 0 290.323 -1.162 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001269038578 775484637 /nfs/dbraw/zinc/48/46/37/775484637.db2.gz CPGWHKHVOUCSAV-NSHDSACASA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001284396755 775487707 /nfs/dbraw/zinc/48/77/07/775487707.db2.gz FOUMNQIIEQRFMT-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cncnc1 ZINC001126402681 775492157 /nfs/dbraw/zinc/49/21/57/775492157.db2.gz AEGFLMRVASJJME-UHFFFAOYSA-N 1 0 276.300 -1.635 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ccnn1C ZINC001126403105 775492430 /nfs/dbraw/zinc/49/24/30/775492430.db2.gz STODWRJOEJMYKZ-LLVKDONJSA-N 1 0 291.355 -1.194 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](NC(=O)c1cnon1)C1CC1 ZINC001269130087 775492452 /nfs/dbraw/zinc/49/24/52/775492452.db2.gz PWNBGANRGRWMTF-VIFPVBQESA-N 1 0 292.299 -1.193 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001269156088 775492494 /nfs/dbraw/zinc/49/24/94/775492494.db2.gz MILRSRHUPAEYPW-VXGBXAGGSA-N 1 0 293.371 -1.089 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)CS(=O)(=O)NC)C1CC1 ZINC001269148447 775492580 /nfs/dbraw/zinc/49/25/80/775492580.db2.gz CQAFIMBSJHOWSQ-JTQLQIEISA-N 1 0 273.358 -1.347 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001284405020 775492644 /nfs/dbraw/zinc/49/26/44/775492644.db2.gz QXNSKSWPWFWHGL-STQMWFEESA-N 1 0 283.372 -1.251 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001284405010 775492682 /nfs/dbraw/zinc/49/26/82/775492682.db2.gz QXNSKSWPWFWHGL-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001269199617 775495212 /nfs/dbraw/zinc/49/52/12/775495212.db2.gz MQIJGUNLOLEYJI-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284444790 775498013 /nfs/dbraw/zinc/49/80/13/775498013.db2.gz NMBXZMWEDUEDDI-RKDXNWHRSA-N 1 0 284.316 -2.982 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC(=O)NCC#N)C1 ZINC001269343390 775503814 /nfs/dbraw/zinc/50/38/14/775503814.db2.gz KSQBNAHKNKCJNE-VXGBXAGGSA-N 1 0 293.371 -1.232 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)C1 ZINC001269343387 775504276 /nfs/dbraw/zinc/50/42/76/775504276.db2.gz KSQBNAHKNKCJNE-NEPJUHHUSA-N 1 0 293.371 -1.232 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001269407925 775506881 /nfs/dbraw/zinc/50/68/81/775506881.db2.gz ULADEKOGMJIVHW-SECBINFHSA-N 1 0 294.311 -1.917 20 30 CAEDRO CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001269461503 775507769 /nfs/dbraw/zinc/50/77/69/775507769.db2.gz VCYGTXHUHRTASB-IUCAKERBSA-N 1 0 296.331 -2.208 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001269502314 775509790 /nfs/dbraw/zinc/50/97/90/775509790.db2.gz VWHVLDMWLMFJHA-UHFFFAOYSA-N 1 0 292.295 -1.721 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001269480187 775510666 /nfs/dbraw/zinc/51/06/66/775510666.db2.gz BLQYCDQRYSKEBQ-UHFFFAOYSA-N 1 0 295.343 -1.528 20 30 CAEDRO CC[C@H](CNC(=O)Cc1nc[nH]n1)[NH2+]CC(=O)NCC#N ZINC001269491011 775510914 /nfs/dbraw/zinc/51/09/14/775510914.db2.gz ANDRLUHNAUTGCH-SECBINFHSA-N 1 0 293.331 -1.529 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001269518600 775511407 /nfs/dbraw/zinc/51/14/07/775511407.db2.gz HFSCISQCSWLVHZ-UHFFFAOYSA-N 1 0 278.312 -1.200 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)CS(=O)(=O)NC)CC1 ZINC001269541036 775511681 /nfs/dbraw/zinc/51/16/81/775511681.db2.gz VNAHKAIQVYSFHS-UHFFFAOYSA-N 1 0 273.358 -1.203 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001269526595 775511716 /nfs/dbraw/zinc/51/17/16/775511716.db2.gz QWBARSYEHIVNTF-UHFFFAOYSA-N 1 0 273.358 -1.251 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1(NC(=O)C(N)=O)CCCC1 ZINC001269572461 775513776 /nfs/dbraw/zinc/51/37/76/775513776.db2.gz UQHCUAVVZCRBIG-UHFFFAOYSA-N 1 0 281.316 -1.870 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1ncc[nH]1 ZINC001126436729 775519348 /nfs/dbraw/zinc/51/93/48/775519348.db2.gz JQZFPDIHYOGAJQ-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)CNS(=O)(=O)NC ZINC001270105408 775524107 /nfs/dbraw/zinc/52/41/07/775524107.db2.gz NRNGREUTSYMMOT-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CCNC(=O)CN1CCC(C)(NC(=O)CC(N)=O)CC1 ZINC001270219893 775526761 /nfs/dbraw/zinc/52/67/61/775526761.db2.gz DFNJIVZEPBBZKP-UHFFFAOYSA-N 1 0 294.355 -1.418 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001270276139 775526902 /nfs/dbraw/zinc/52/69/02/775526902.db2.gz WHYNVUNTWAFDPC-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001270371874 775528636 /nfs/dbraw/zinc/52/86/36/775528636.db2.gz MXOUJUFXQBINQG-HTQZYQBOSA-N 1 0 269.305 -1.317 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001270419074 775530597 /nfs/dbraw/zinc/53/05/97/775530597.db2.gz HBIAIUAHDQYJTM-LLVKDONJSA-N 1 0 292.339 -1.478 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001270419691 775530824 /nfs/dbraw/zinc/53/08/24/775530824.db2.gz MVVDGEFWDBMGKN-NSHDSACASA-N 1 0 267.329 -1.180 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001270419690 775531128 /nfs/dbraw/zinc/53/11/28/775531128.db2.gz MVVDGEFWDBMGKN-LLVKDONJSA-N 1 0 267.329 -1.180 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001083403847 775538186 /nfs/dbraw/zinc/53/81/86/775538186.db2.gz PIWPPSBTEJDTIL-UTUOFQBUSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCCN1CCO[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001270656709 775542025 /nfs/dbraw/zinc/54/20/25/775542025.db2.gz FGGHROHMSIDZHW-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001083406484 775542211 /nfs/dbraw/zinc/54/22/11/775542211.db2.gz IPTANXRJGRVJIF-AXFHLTTASA-N 1 0 266.297 -1.266 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001083406485 775542681 /nfs/dbraw/zinc/54/26/81/775542681.db2.gz IPTANXRJGRVJIF-MXWKQRLJSA-N 1 0 266.297 -1.266 20 30 CAEDRO C#CCCN1CCO[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001270656710 775542713 /nfs/dbraw/zinc/54/27/13/775542713.db2.gz FGGHROHMSIDZHW-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)C1CC1 ZINC001126486948 775548896 /nfs/dbraw/zinc/54/88/96/775548896.db2.gz NPUPDKFECRLGRZ-GFCCVEGCSA-N 1 0 267.329 -1.133 20 30 CAEDRO CC(=O)N1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001149312614 775548914 /nfs/dbraw/zinc/54/89/14/775548914.db2.gz MLOXUTHPVKLWFI-NSHDSACASA-N 1 0 295.343 -1.800 20 30 CAEDRO CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001126487016 775549372 /nfs/dbraw/zinc/54/93/72/775549372.db2.gz PDTVBQWTIHAPPG-NSHDSACASA-N 1 0 268.317 -1.243 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC(N)=O ZINC001270921218 775560011 /nfs/dbraw/zinc/56/00/11/775560011.db2.gz GUIRPTHBGFJJJU-ZJUUUORDSA-N 1 0 284.360 -1.011 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cnnn2C)C1=O ZINC001126528608 775560256 /nfs/dbraw/zinc/56/02/56/775560256.db2.gz NBGSGQPMINCUAP-JTQLQIEISA-N 1 0 292.343 -1.079 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnnn1C ZINC001126528625 775560374 /nfs/dbraw/zinc/56/03/74/775560374.db2.gz NUYQTTVDEPOHOJ-UHFFFAOYSA-N 1 0 264.289 -2.116 20 30 CAEDRO C#CCC[NH2+]C1(CNC(=O)Cn2cnnn2)CCOCC1 ZINC001271023495 775563034 /nfs/dbraw/zinc/56/30/34/775563034.db2.gz GQWVBBMNMACPEH-UHFFFAOYSA-N 1 0 292.343 -1.049 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)COC)C1 ZINC001271108747 775566186 /nfs/dbraw/zinc/56/61/86/775566186.db2.gz DMCGHLWNRXOJJS-CYBMUJFWSA-N 1 0 270.329 -1.164 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001271109027 775566582 /nfs/dbraw/zinc/56/65/82/775566582.db2.gz GQZNBUJIAHMNIJ-CQSZACIVSA-N 1 0 279.340 -1.205 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001271082931 775566721 /nfs/dbraw/zinc/56/67/21/775566721.db2.gz MPVZURPPZSIOOK-QWRGUYRKSA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001271082929 775567612 /nfs/dbraw/zinc/56/76/12/775567612.db2.gz MPVZURPPZSIOOK-GHMZBOCLSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001271121018 775568831 /nfs/dbraw/zinc/56/88/31/775568831.db2.gz OYWKDXIMPKLCPP-CYBMUJFWSA-N 1 0 283.328 -1.081 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001271113910 775569410 /nfs/dbraw/zinc/56/94/10/775569410.db2.gz VZWOIPOSSNALTF-AEJSXWLSSA-N 1 0 295.343 -1.816 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnnn1C ZINC001126541463 775570576 /nfs/dbraw/zinc/57/05/76/775570576.db2.gz YDUVMTBEABEBQK-SECBINFHSA-N 1 0 280.332 -1.175 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnnn1C ZINC001126541464 775571159 /nfs/dbraw/zinc/57/11/59/775571159.db2.gz YDUVMTBEABEBQK-VIFPVBQESA-N 1 0 280.332 -1.175 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001271129461 775571741 /nfs/dbraw/zinc/57/17/41/775571741.db2.gz MHFWUFOLCZPCIO-PWSUYJOCSA-N 1 0 296.371 -1.174 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001271131551 775574214 /nfs/dbraw/zinc/57/42/14/775574214.db2.gz JZVIBGBADLESIT-LBPRGKRZSA-N 1 0 253.302 -1.562 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001271136798 775574675 /nfs/dbraw/zinc/57/46/75/775574675.db2.gz DSRLVXVHRCKVDT-JOYOIKCWSA-N 1 0 270.333 -1.218 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126547905 775575608 /nfs/dbraw/zinc/57/56/08/775575608.db2.gz CEILTBCFPVGKTD-ZETCQYMHSA-N 1 0 269.261 -2.560 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126549267 775579797 /nfs/dbraw/zinc/57/97/97/775579797.db2.gz ZUQLEEVMBAXQTB-SECBINFHSA-N 1 0 255.274 -1.550 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126555218 775581150 /nfs/dbraw/zinc/58/11/50/775581150.db2.gz VEWPQIFRXUQYOP-NXEZZACHSA-N 1 0 296.327 -1.413 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126555222 775581807 /nfs/dbraw/zinc/58/18/07/775581807.db2.gz VEWPQIFRXUQYOP-UWVGGRQHSA-N 1 0 296.327 -1.413 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COCCN2CC)C1 ZINC001271158646 775582198 /nfs/dbraw/zinc/58/21/98/775582198.db2.gz DLUJJQHZWLKTEF-UKRRQHHQSA-N 1 0 295.383 -1.107 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001271160631 775583323 /nfs/dbraw/zinc/58/33/23/775583323.db2.gz WMPPQBLWNXWKAM-TVQRCGJNSA-N 1 0 296.327 -1.677 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083418787 775583432 /nfs/dbraw/zinc/58/34/32/775583432.db2.gz AICGXERVVNILOJ-ZJUUUORDSA-N 1 0 281.316 -1.279 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126559272 775584576 /nfs/dbraw/zinc/58/45/76/775584576.db2.gz COHQGHWHQUUNSE-RKDXNWHRSA-N 1 0 282.300 -2.062 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126559269 775584591 /nfs/dbraw/zinc/58/45/91/775584591.db2.gz COHQGHWHQUUNSE-DTWKUNHWSA-N 1 0 282.300 -2.062 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1nnc[nH]1 ZINC001271163616 775585672 /nfs/dbraw/zinc/58/56/72/775585672.db2.gz SCJJOCDKKCMNSE-SECBINFHSA-N 1 0 293.331 -1.577 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001083419974 775586456 /nfs/dbraw/zinc/58/64/56/775586456.db2.gz IDVWXZTVMXLVEE-MNOVXSKESA-N 1 0 277.328 -1.200 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001271173582 775590170 /nfs/dbraw/zinc/59/01/70/775590170.db2.gz AAYZXSMZXRMYQQ-RISCZKNCSA-N 1 0 279.340 -1.301 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001271173581 775590339 /nfs/dbraw/zinc/59/03/39/775590339.db2.gz AAYZXSMZXRMYQQ-FZMZJTMJSA-N 1 0 279.340 -1.301 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271184668 775593012 /nfs/dbraw/zinc/59/30/12/775593012.db2.gz NIKYVACEEFUWSS-LBPRGKRZSA-N 1 0 271.317 -1.773 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001271191911 775593478 /nfs/dbraw/zinc/59/34/78/775593478.db2.gz HSIPEBNXTWHDBU-GBIKHYSHSA-N 1 0 267.329 -1.153 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cncn1 ZINC001271198962 775594326 /nfs/dbraw/zinc/59/43/26/775594326.db2.gz UFOHQEILIHQQFC-LLVKDONJSA-N 1 0 292.343 -1.536 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001271206942 775594696 /nfs/dbraw/zinc/59/46/96/775594696.db2.gz LHQHFWYBXZWAQE-SECBINFHSA-N 1 0 261.347 -1.395 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC#N)C1 ZINC001271262192 775596177 /nfs/dbraw/zinc/59/61/77/775596177.db2.gz BYESPAKPXQZTCE-JTQLQIEISA-N 1 0 252.318 -1.233 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC#N)C1 ZINC001271262193 775596224 /nfs/dbraw/zinc/59/62/24/775596224.db2.gz BYESPAKPXQZTCE-SNVBAGLBSA-N 1 0 252.318 -1.233 20 30 CAEDRO COCC#CCN1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001271360870 775604641 /nfs/dbraw/zinc/60/46/41/775604641.db2.gz CUCIZCLSZVNSQW-UHFFFAOYSA-N 1 0 292.339 -1.235 20 30 CAEDRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001271377725 775605602 /nfs/dbraw/zinc/60/56/02/775605602.db2.gz VLBFXFLHTGPFBD-VHSXEESVSA-N 1 0 295.343 -1.672 20 30 CAEDRO C[C@@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001168081042 775621901 /nfs/dbraw/zinc/62/19/01/775621901.db2.gz XLTAOIISJKRSGQ-AFTWZWCASA-N 1 0 277.317 -2.214 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001168084897 775623058 /nfs/dbraw/zinc/62/30/58/775623058.db2.gz GBWWVBAUMZRXPK-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001168084904 775623086 /nfs/dbraw/zinc/62/30/86/775623086.db2.gz GBWWVBAUMZRXPK-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO COCC#CC[N@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001271839747 775624530 /nfs/dbraw/zinc/62/45/30/775624530.db2.gz NABPSIRAXRHZHO-TXEJJXNPSA-N 1 0 279.340 -1.098 20 30 CAEDRO C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001271942894 775630916 /nfs/dbraw/zinc/63/09/16/775630916.db2.gz VSJSCMPTJWFTSO-CYBMUJFWSA-N 1 0 292.343 -1.361 20 30 CAEDRO CC(C)[C@@H](O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126632853 775639403 /nfs/dbraw/zinc/63/94/03/775639403.db2.gz ZOBNYMJYMUFXFS-SNVBAGLBSA-N 1 0 256.306 -1.651 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cn(C)nn2)C1=O ZINC001126653766 775641292 /nfs/dbraw/zinc/64/12/92/775641292.db2.gz HNLLJJNZVYOXRZ-JTQLQIEISA-N 1 0 292.343 -1.079 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126672448 775646441 /nfs/dbraw/zinc/64/64/41/775646441.db2.gz QKNUIGHQZUFIHS-VIFPVBQESA-N 1 0 293.327 -1.236 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126672447 775646757 /nfs/dbraw/zinc/64/67/57/775646757.db2.gz QKNUIGHQZUFIHS-SECBINFHSA-N 1 0 293.327 -1.236 20 30 CAEDRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001126678392 775649278 /nfs/dbraw/zinc/64/92/78/775649278.db2.gz YEHIDKXDQBOLON-UHFFFAOYSA-N 1 0 265.277 -2.226 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC)n1 ZINC001126706996 775654011 /nfs/dbraw/zinc/65/40/11/775654011.db2.gz RKTYAEBCCXGBAN-UHFFFAOYSA-N 1 0 278.316 -1.633 20 30 CAEDRO CCn1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001126712924 775654069 /nfs/dbraw/zinc/65/40/69/775654069.db2.gz ZZPXNHBFXZVFMB-UHFFFAOYSA-N 1 0 279.304 -1.743 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001168232039 775656430 /nfs/dbraw/zinc/65/64/30/775656430.db2.gz MJJDXILHFLXTFC-LLVKDONJSA-N 1 0 294.355 -1.500 20 30 CAEDRO CN(CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(=O)NCC#N ZINC001272087395 775664759 /nfs/dbraw/zinc/66/47/59/775664759.db2.gz QFJOLXAXEWSPBV-PJXYFTJBSA-N 1 0 294.355 -1.091 20 30 CAEDRO CNC(=O)C1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001168269172 775667188 /nfs/dbraw/zinc/66/71/88/775667188.db2.gz KFIVTQAPGXHKDF-UHFFFAOYSA-N 1 0 295.343 -1.752 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1OC ZINC001212031993 775668183 /nfs/dbraw/zinc/66/81/83/775668183.db2.gz DVIYPNFHJFUIKQ-GMTAPVOTSA-N 1 0 285.344 -1.122 20 30 CAEDRO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041121 775668520 /nfs/dbraw/zinc/66/85/20/775668520.db2.gz FRKDFTZYMUIXTC-QJPTWQEYSA-N 1 0 285.344 -1.030 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C1(C(=O)NC)CC1 ZINC001168269656 775668700 /nfs/dbraw/zinc/66/87/00/775668700.db2.gz UGLSCGLNLNPDOV-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001272117019 775676356 /nfs/dbraw/zinc/67/63/56/775676356.db2.gz RAVCATKFSWFOSS-LBPRGKRZSA-N 1 0 270.329 -1.164 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)CN(C)C(C)=O ZINC001272116273 775676654 /nfs/dbraw/zinc/67/66/54/775676654.db2.gz DHRYUJDRQDRNJC-UHFFFAOYSA-N 1 0 299.371 -1.475 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001272125619 775676761 /nfs/dbraw/zinc/67/67/61/775676761.db2.gz KNWDBVAWQNNXHB-NSHDSACASA-N 1 0 282.344 -1.610 20 30 CAEDRO N#Cc1ccc(C(=O)N(CCO)CC[NH2+]CCO)[nH]1 ZINC001272150097 775678307 /nfs/dbraw/zinc/67/83/07/775678307.db2.gz PJWAEZJLBPSXSG-UHFFFAOYSA-N 1 0 266.301 -1.097 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1cn(C)nn1 ZINC001272154194 775678769 /nfs/dbraw/zinc/67/87/69/775678769.db2.gz DFKCCEREOMDQCO-UHFFFAOYSA-N 1 0 265.317 -1.138 20 30 CAEDRO NC(=O)C[NH2+]CCN(CCO)C(=O)C#CC1CC1 ZINC001272162712 775679554 /nfs/dbraw/zinc/67/95/54/775679554.db2.gz RMIFIDYKXOVMHL-UHFFFAOYSA-N 1 0 253.302 -1.704 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC1(F)F ZINC001126765162 775679903 /nfs/dbraw/zinc/67/99/03/775679903.db2.gz QLOIPTMUGPNECC-SSDOTTSWSA-N 1 0 260.244 -1.013 20 30 CAEDRO O=C(C#CC1CC1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001272162202 775679996 /nfs/dbraw/zinc/67/99/96/775679996.db2.gz HMJKBUVFELNXPC-LBPRGKRZSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C[C@H](C)NC(N)=O ZINC001272168994 775680974 /nfs/dbraw/zinc/68/09/74/775680974.db2.gz QBAPUBGUTMKFHR-JTQLQIEISA-N 1 0 270.333 -1.523 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)c1cc(=O)n(C)cn1 ZINC001272181372 775681343 /nfs/dbraw/zinc/68/13/43/775681343.db2.gz FVOMGYUCEDJWIE-UHFFFAOYSA-N 1 0 280.328 -1.010 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001272182829 775682250 /nfs/dbraw/zinc/68/22/50/775682250.db2.gz XKCZXBPEFKJADF-JTQLQIEISA-N 1 0 296.327 -1.982 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001088682265 775683012 /nfs/dbraw/zinc/68/30/12/775683012.db2.gz RJBCDYDBQKMMSW-MNOVXSKESA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083463821 775683681 /nfs/dbraw/zinc/68/36/81/775683681.db2.gz BYBXYFJJGZDVMS-ZJUUUORDSA-N 1 0 264.289 -2.142 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC001088680561 775683910 /nfs/dbraw/zinc/68/39/10/775683910.db2.gz OQZUGUAAMJMNNJ-OLZOCXBDSA-N 1 0 292.383 -1.027 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464406 775686137 /nfs/dbraw/zinc/68/61/37/775686137.db2.gz FUNYTKKBIHWSNC-ZJUUUORDSA-N 1 0 266.305 -1.590 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001272216251 775690673 /nfs/dbraw/zinc/69/06/73/775690673.db2.gz PUCKWGRTEYMAAI-GHMZBOCLSA-N 1 0 294.355 -1.303 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075970254 775694431 /nfs/dbraw/zinc/69/44/31/775694431.db2.gz QOMJIFPLTMJJDE-NWDGAFQWSA-N 1 0 289.339 -1.252 20 30 CAEDRO Cc1c[nH]nc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126852230 775700101 /nfs/dbraw/zinc/70/01/01/775700101.db2.gz NISXPOZQXQFZTR-UHFFFAOYSA-N 1 0 264.289 -1.323 20 30 CAEDRO O=C(C#CC1CC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001126881339 775704520 /nfs/dbraw/zinc/70/45/20/775704520.db2.gz PNJGFVKDOAHSGS-UHFFFAOYSA-N 1 0 278.312 -1.343 20 30 CAEDRO CS(=O)(=O)NCC[NH2+]CCNC(=O)C#CC1CC1 ZINC001126880808 775705403 /nfs/dbraw/zinc/70/54/03/775705403.db2.gz AQTXHQBCLRMQNV-UHFFFAOYSA-N 1 0 273.358 -1.345 20 30 CAEDRO CN(CC[NH2+]CCNC(=O)C#CC1CC1)S(C)(=O)=O ZINC001126875924 775705663 /nfs/dbraw/zinc/70/56/63/775705663.db2.gz SKAPUMYIEXOWFR-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C#CC1CC1 ZINC001126886508 775708174 /nfs/dbraw/zinc/70/81/74/775708174.db2.gz VMAILLJFUGGYEU-VIFPVBQESA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083520994 775708866 /nfs/dbraw/zinc/70/88/66/775708866.db2.gz HLHYILIQMIEDQE-TUAOUCFPSA-N 1 0 279.340 -1.303 20 30 CAEDRO O=C(C#CC1CC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001126903906 775710099 /nfs/dbraw/zinc/71/00/99/775710099.db2.gz ORMZOVGLDWTMFG-UHFFFAOYSA-N 1 0 279.340 -1.036 20 30 CAEDRO O=C(C#CC1CC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126903211 775710327 /nfs/dbraw/zinc/71/03/27/775710327.db2.gz GYNWXWLNXGZKFP-UHFFFAOYSA-N 1 0 292.339 -1.936 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083528119 775711252 /nfs/dbraw/zinc/71/12/52/775711252.db2.gz BLWMJTLNRPHNDV-MNOVXSKESA-N 1 0 283.328 -1.808 20 30 CAEDRO C=C(Br)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001272241828 775712323 /nfs/dbraw/zinc/71/23/23/775712323.db2.gz ATJURKHNPXTDIU-UHFFFAOYSA-N 1 0 294.149 -1.209 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001083537688 775717508 /nfs/dbraw/zinc/71/75/08/775717508.db2.gz KJVFLRQIMIRDHI-NEPJUHHUSA-N 1 0 290.323 -1.422 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001076299001 775726596 /nfs/dbraw/zinc/72/65/96/775726596.db2.gz KRUMVRROCPQHMR-GARJFASQSA-N 1 0 290.323 -1.250 20 30 CAEDRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001126926606 775727040 /nfs/dbraw/zinc/72/70/40/775727040.db2.gz PKUIVXBZKZEBMR-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126926685 775727421 /nfs/dbraw/zinc/72/74/21/775727421.db2.gz QNPQQEIVBPUWRE-VIFPVBQESA-N 1 0 292.343 -1.501 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076582379 775731209 /nfs/dbraw/zinc/73/12/09/775731209.db2.gz UQTJANQPDRSMBL-SDDRHHMPSA-N 1 0 297.380 -1.156 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076544984 775732658 /nfs/dbraw/zinc/73/26/58/775732658.db2.gz JGPCDZCKGXOMQR-WDEREUQCSA-N 1 0 290.323 -1.296 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936676 775734350 /nfs/dbraw/zinc/73/43/50/775734350.db2.gz QGKVEWSPHWXRLY-RKDXNWHRSA-N 1 0 268.273 -1.893 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001076713128 775742220 /nfs/dbraw/zinc/74/22/20/775742220.db2.gz LCTMFBAXTFMISC-GHMZBOCLSA-N 1 0 276.296 -1.020 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nn(C)cc1C ZINC001126949107 775754626 /nfs/dbraw/zinc/75/46/26/775754626.db2.gz MHALVTVNLCGLSZ-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO Cc1cn(C)nc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126949731 775759729 /nfs/dbraw/zinc/75/97/29/775759729.db2.gz XFHDJURMYSCCCM-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076811324 775760133 /nfs/dbraw/zinc/76/01/33/775760133.db2.gz KDTBWYMBBCIJMR-GRYCIOLGSA-N 1 0 251.330 -1.125 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001076873927 775766573 /nfs/dbraw/zinc/76/65/73/775766573.db2.gz PIWPPSBTEJDTIL-IJLUTSLNSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083555155 775767340 /nfs/dbraw/zinc/76/73/40/775767340.db2.gz OZSONMBEJASXGH-MNOVXSKESA-N 1 0 276.296 -1.020 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001076915238 775774121 /nfs/dbraw/zinc/77/41/21/775774121.db2.gz IDVWXZTVMXLVEE-GHMZBOCLSA-N 1 0 277.328 -1.200 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001076930168 775776941 /nfs/dbraw/zinc/77/69/41/775776941.db2.gz RQBOSDFBTURGSK-NXEZZACHSA-N 1 0 279.296 -1.224 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942424 775777642 /nfs/dbraw/zinc/77/76/42/775777642.db2.gz OESLHVDSCPELQC-OPRDCNLKSA-N 1 0 269.301 -1.168 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942143 775778420 /nfs/dbraw/zinc/77/84/20/775778420.db2.gz FDYCQGXHXDJQCD-OPRDCNLKSA-N 1 0 267.285 -1.721 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942537 775779011 /nfs/dbraw/zinc/77/90/11/775779011.db2.gz RYLHHJUFCYLVAS-KXUCPTDWSA-N 1 0 269.301 -1.168 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001076980371 775785930 /nfs/dbraw/zinc/78/59/30/775785930.db2.gz BMGWSJYUQJEXFB-GHMZBOCLSA-N 1 0 277.328 -1.160 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001077126609 775797540 /nfs/dbraw/zinc/79/75/40/775797540.db2.gz HLHYILIQMIEDQE-IJLUTSLNSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001077160242 775800847 /nfs/dbraw/zinc/80/08/47/775800847.db2.gz RGVUKHCLSKKEDB-LOWDOPEQSA-N 1 0 282.340 -1.025 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001077193171 775802368 /nfs/dbraw/zinc/80/23/68/775802368.db2.gz ORMHYOOELQVOFL-IJLUTSLNSA-N 1 0 279.340 -1.160 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 ZINC001077269337 775809417 /nfs/dbraw/zinc/80/94/17/775809417.db2.gz XGPBYNQLWLZOPL-MGPQQGTHSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 ZINC001077269336 775809852 /nfs/dbraw/zinc/80/98/52/775809852.db2.gz XGPBYNQLWLZOPL-HZSPNIEDSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585600 775826773 /nfs/dbraw/zinc/82/67/73/775826773.db2.gz FLLFMFJXRBSWPL-MNOVXSKESA-N 1 0 293.327 -2.234 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001083593830 775828592 /nfs/dbraw/zinc/82/85/92/775828592.db2.gz ZZOQKVOOWQEMAM-UTUOFQBUSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001083593829 775829028 /nfs/dbraw/zinc/82/90/28/775829028.db2.gz ZZOQKVOOWQEMAM-TUAOUCFPSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601280 775831124 /nfs/dbraw/zinc/83/11/24/775831124.db2.gz NKFQXPLHPGYGPQ-NEPJUHHUSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127024064 775836461 /nfs/dbraw/zinc/83/64/61/775836461.db2.gz WNBIKHZDIWVFJK-UHFFFAOYSA-N 1 0 296.327 -1.716 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCOCC#C ZINC001127023312 775836476 /nfs/dbraw/zinc/83/64/76/775836476.db2.gz JFKWLULNRFQPSK-UHFFFAOYSA-N 1 0 265.313 -1.519 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127027008 775836738 /nfs/dbraw/zinc/83/67/38/775836738.db2.gz DJNMWKIDBHHWDC-UHFFFAOYSA-N 1 0 251.290 -1.123 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CCOCCO ZINC001127024106 775836945 /nfs/dbraw/zinc/83/69/45/775836945.db2.gz XOJUMTMQBIINDM-UHFFFAOYSA-N 1 0 258.318 -1.259 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOCC#C ZINC001127023236 775837117 /nfs/dbraw/zinc/83/71/17/775837117.db2.gz FORZRRUGEKCHCO-GFCCVEGCSA-N 1 0 279.340 -1.130 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001127027100 775837434 /nfs/dbraw/zinc/83/74/34/775837434.db2.gz IIDHVTRMZCAXHQ-CYBMUJFWSA-N 1 0 294.355 -1.010 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001127024045 775837517 /nfs/dbraw/zinc/83/75/17/775837517.db2.gz WDTNGKVVFPIJHN-SNVBAGLBSA-N 1 0 255.318 -1.004 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001127032137 775840252 /nfs/dbraw/zinc/84/02/52/775840252.db2.gz UUVIJMBTWOVRKK-JTQLQIEISA-N 1 0 253.302 -1.379 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127031665 775840555 /nfs/dbraw/zinc/84/05/55/775840555.db2.gz KAZCNFGECXEJTR-SNVBAGLBSA-N 1 0 281.312 -1.463 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127031549 775840677 /nfs/dbraw/zinc/84/06/77/775840677.db2.gz HQADRPWMPGPOCD-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001127031417 775840746 /nfs/dbraw/zinc/84/07/46/775840746.db2.gz BKGOFJSRLMQPSF-UHFFFAOYSA-N 1 0 284.316 -1.812 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001127032190 775841077 /nfs/dbraw/zinc/84/10/77/775841077.db2.gz VMTAZALAGXAWNI-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127031662 775841095 /nfs/dbraw/zinc/84/10/95/775841095.db2.gz KAZCNFGECXEJTR-JTQLQIEISA-N 1 0 281.312 -1.463 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCOCCO ZINC001127045427 775842356 /nfs/dbraw/zinc/84/23/56/775842356.db2.gz APBVELSCHNYENB-LLVKDONJSA-N 1 0 258.318 -1.261 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001127052021 775843321 /nfs/dbraw/zinc/84/33/21/775843321.db2.gz PQSBGKPWDWCSTO-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001127046085 775843563 /nfs/dbraw/zinc/84/35/63/775843563.db2.gz LHOMPGJLIGBROO-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCC#C ZINC001127051703 775843634 /nfs/dbraw/zinc/84/36/34/775843634.db2.gz LLAWUMZKLDVUMI-RYUDHWBXSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001127046606 775843767 /nfs/dbraw/zinc/84/37/67/775843767.db2.gz TUAFGFDIFLIORD-UWVGGRQHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001127046086 775843785 /nfs/dbraw/zinc/84/37/85/775843785.db2.gz LHOMPGJLIGBROO-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127045783 775843890 /nfs/dbraw/zinc/84/38/90/775843890.db2.gz HDSZBSJKXRTLNF-MRVPVSSYSA-N 1 0 270.289 -2.075 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001127052011 775843975 /nfs/dbraw/zinc/84/39/75/775843975.db2.gz PDTRMFPYGHNOEV-BDAKNGLRSA-N 1 0 284.316 -1.686 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001127045550 775844027 /nfs/dbraw/zinc/84/40/27/775844027.db2.gz DLZALOXKWVPPJG-ZJUUUORDSA-N 1 0 253.302 -1.381 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001127052316 775844041 /nfs/dbraw/zinc/84/40/41/775844041.db2.gz URHUDZFMSCEKPY-SNVBAGLBSA-N 1 0 291.373 -1.720 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001127045985 775844078 /nfs/dbraw/zinc/84/40/78/775844078.db2.gz JYULYODBZHKBEN-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001127046891 775844206 /nfs/dbraw/zinc/84/42/06/775844206.db2.gz VQOYOFIOGVWFPT-SECBINFHSA-N 1 0 284.316 -1.814 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127045565 775844345 /nfs/dbraw/zinc/84/43/45/775844345.db2.gz DULGISVGWJPMIK-VHSXEESVSA-N 1 0 281.312 -1.464 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC ZINC001127046890 775844360 /nfs/dbraw/zinc/84/43/60/775844360.db2.gz VQMRSYZDPRKQEY-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001127045549 775844371 /nfs/dbraw/zinc/84/43/71/775844371.db2.gz DLZALOXKWVPPJG-VHSXEESVSA-N 1 0 253.302 -1.381 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001127045526 775844451 /nfs/dbraw/zinc/84/44/51/775844451.db2.gz DAHOJZHFHGDRFY-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001127046607 775844497 /nfs/dbraw/zinc/84/44/97/775844497.db2.gz TUAFGFDIFLIORD-VHSXEESVSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127051634 775844548 /nfs/dbraw/zinc/84/45/48/775844548.db2.gz KJNAWPOQNIWFCN-SNVBAGLBSA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001127051788 775844608 /nfs/dbraw/zinc/84/46/08/775844608.db2.gz MVOMYXGRJLDERP-ZJUUUORDSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001127045563 775844672 /nfs/dbraw/zinc/84/46/72/775844672.db2.gz DULGISVGWJPMIK-NXEZZACHSA-N 1 0 281.312 -1.464 20 30 CAEDRO CCS(=O)(=O)NCC(=O)NCC#CC[NH+](C)C ZINC000913519543 775850388 /nfs/dbraw/zinc/85/03/88/775850388.db2.gz DYJSASFMYKDWND-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1CCOCC1=O ZINC000913521593 775850775 /nfs/dbraw/zinc/85/07/75/775850775.db2.gz FVSJZXRBMJRRPV-UHFFFAOYSA-N 1 0 253.302 -1.474 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127081890 775851060 /nfs/dbraw/zinc/85/10/60/775851060.db2.gz FJCSIMASURCGIP-UHFFFAOYSA-N 1 0 293.389 -1.166 20 30 CAEDRO CC(=O)NCCNC(=O)CCC(=O)NCC#CC[NH+](C)C ZINC000913518396 775851381 /nfs/dbraw/zinc/85/13/81/775851381.db2.gz NMIMSINIJDFVMB-UHFFFAOYSA-N 1 0 296.371 -1.300 20 30 CAEDRO Cn1cc(C(=O)NCC#CC[NH+](C)C)c(=O)n(C)c1=O ZINC000913519047 775851480 /nfs/dbraw/zinc/85/14/80/775851480.db2.gz LCELZLOZECVPDM-UHFFFAOYSA-N 1 0 278.312 -1.621 20 30 CAEDRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC#CC[NH+](C)C ZINC000913520060 775851614 /nfs/dbraw/zinc/85/16/14/775851614.db2.gz BDMJOHKMCWMLQV-CMPLNLGQSA-N 1 0 281.356 -1.057 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000913518268 775851765 /nfs/dbraw/zinc/85/17/65/775851765.db2.gz KPXSUDDHZNXARA-UHFFFAOYSA-N 1 0 278.312 -1.392 20 30 CAEDRO CCOC(=O)C[C@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913521509 775851808 /nfs/dbraw/zinc/85/18/08/775851808.db2.gz BYJIMSAQDLSORD-JTQLQIEISA-N 1 0 256.302 -1.018 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127088040 775853626 /nfs/dbraw/zinc/85/36/26/775853626.db2.gz LBLYWPARGJRKDH-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CN(CCF)C[C@H]1OC ZINC001212149580 775854029 /nfs/dbraw/zinc/85/40/29/775854029.db2.gz BJDZVYZBBZDRHD-GHMZBOCLSA-N 1 0 285.319 -1.089 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001127098913 775854709 /nfs/dbraw/zinc/85/47/09/775854709.db2.gz FFQYOEMCJDKKMN-UHFFFAOYSA-N 1 0 278.378 -1.384 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1OC ZINC001212152594 775856112 /nfs/dbraw/zinc/85/61/12/775856112.db2.gz UZIGPDGLWHMQMO-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001272363742 775900372 /nfs/dbraw/zinc/90/03/72/775900372.db2.gz ZPMBXBJXJCHILD-KOLCDFICSA-N 1 0 255.318 -1.399 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001105804928 775863982 /nfs/dbraw/zinc/86/39/82/775863982.db2.gz HUBQHZHWHQNEAC-GHMZBOCLSA-N 1 0 262.317 -1.010 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127153718 775868538 /nfs/dbraw/zinc/86/85/38/775868538.db2.gz ANAHOLSWYJJQHA-SECBINFHSA-N 1 0 283.332 -2.112 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127157343 775870477 /nfs/dbraw/zinc/87/04/77/775870477.db2.gz ZJICDJBNWUWXAI-VHSXEESVSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127157341 775870538 /nfs/dbraw/zinc/87/05/38/775870538.db2.gz ZJICDJBNWUWXAI-UWVGGRQHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127161165 775870655 /nfs/dbraw/zinc/87/06/55/775870655.db2.gz DAFDFYWAFRQUMM-NXEZZACHSA-N 1 0 299.375 -1.170 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127157336 775870906 /nfs/dbraw/zinc/87/09/06/775870906.db2.gz ZJICDJBNWUWXAI-NXEZZACHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001105964879 775873747 /nfs/dbraw/zinc/87/37/47/775873747.db2.gz BVFYAZVYTQTJTO-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC001120583468 775881645 /nfs/dbraw/zinc/88/16/45/775881645.db2.gz PDZCAKBRFNZPTG-ZYHUDNBSSA-N 1 0 258.318 -1.219 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1cnn(C)n1 ZINC001272277214 775882827 /nfs/dbraw/zinc/88/28/27/775882827.db2.gz IMXHZVGRQDBGLJ-UHFFFAOYSA-N 1 0 295.343 -1.511 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC001088927257 775883535 /nfs/dbraw/zinc/88/35/35/775883535.db2.gz ZTFHLOREWMCYCU-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1cnon1 ZINC001272278761 775885724 /nfs/dbraw/zinc/88/57/24/775885724.db2.gz YWBLICWGYBCYQC-UHFFFAOYSA-N 1 0 282.300 -1.257 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089046142 775885913 /nfs/dbraw/zinc/88/59/13/775885913.db2.gz VTQICVYGRQWOLW-OUAUKWLOSA-N 1 0 285.369 -1.110 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(C)=O ZINC001272351829 775897007 /nfs/dbraw/zinc/89/70/07/775897007.db2.gz PQVFLEYCNVOCMP-SCZZXKLOSA-N 1 0 286.332 -1.527 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(F)F ZINC001272352893 775897287 /nfs/dbraw/zinc/89/72/87/775897287.db2.gz WOCRGIZCCTZFHF-BDAKNGLRSA-N 1 0 291.298 -1.154 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(C)=O ZINC001272351831 775897968 /nfs/dbraw/zinc/89/79/68/775897968.db2.gz PQVFLEYCNVOCMP-WPRPVWTQSA-N 1 0 286.332 -1.527 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(F)F ZINC001272352902 775898054 /nfs/dbraw/zinc/89/80/54/775898054.db2.gz WOCRGIZCCTZFHF-IUCAKERBSA-N 1 0 291.298 -1.154 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001272360374 775898966 /nfs/dbraw/zinc/89/89/66/775898966.db2.gz BYDSYEYCTLABDL-LLVKDONJSA-N 1 0 284.312 -1.409 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510253 775899136 /nfs/dbraw/zinc/89/91/36/775899136.db2.gz NAGGFTABWQWDNI-OUAUKWLOSA-N 1 0 282.344 -1.253 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001272361516 775899228 /nfs/dbraw/zinc/89/92/28/775899228.db2.gz HNUMJWQHBFWGKU-SECBINFHSA-N 1 0 298.299 -2.419 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001272363741 775899316 /nfs/dbraw/zinc/89/93/16/775899316.db2.gz ZPMBXBJXJCHILD-GXSJLCMTSA-N 1 0 255.318 -1.399 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccon1 ZINC001272371367 775899730 /nfs/dbraw/zinc/89/97/30/775899730.db2.gz LFLNOJXFBAWLEJ-VIFPVBQESA-N 1 0 280.284 -1.896 20 30 CAEDRO CC(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272370234 775899817 /nfs/dbraw/zinc/89/98/17/775899817.db2.gz ATGRUWHZNBVJOK-SECBINFHSA-N 1 0 256.306 -1.651 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)C ZINC001272363726 775899934 /nfs/dbraw/zinc/89/99/34/775899934.db2.gz ZNFIZHHTWSGFDV-SNVBAGLBSA-N 1 0 255.318 -1.542 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccon1 ZINC001272371366 775900424 /nfs/dbraw/zinc/90/04/24/775900424.db2.gz LFLNOJXFBAWLEJ-SECBINFHSA-N 1 0 280.284 -1.896 20 30 CAEDRO Cn1cc(CNC[C@H](O)CNC(=O)CSCC#N)nn1 ZINC001272373285 775901563 /nfs/dbraw/zinc/90/15/63/775901563.db2.gz WMRIFWCVYUWQLG-JTQLQIEISA-N 1 0 298.372 -1.361 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001272372950 775902035 /nfs/dbraw/zinc/90/20/35/775902035.db2.gz TZHFEJATJDRNNW-VIFPVBQESA-N 1 0 264.347 -1.326 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001272381132 775902698 /nfs/dbraw/zinc/90/26/98/775902698.db2.gz QGYANTOHHWIMBZ-MNOVXSKESA-N 1 0 299.375 -1.080 20 30 CAEDRO C=CCCC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001272381092 775903158 /nfs/dbraw/zinc/90/31/58/775903158.db2.gz PQHTUWNCVHHOPR-MRVPVSSYSA-N 1 0 272.305 -1.786 20 30 CAEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001272381093 775903420 /nfs/dbraw/zinc/90/34/20/775903420.db2.gz PQHTUWNCVHHOPR-QMMMGPOBSA-N 1 0 272.305 -1.786 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001272388198 775903810 /nfs/dbraw/zinc/90/38/10/775903810.db2.gz BLCCCUDRCFUGDQ-LLVKDONJSA-N 1 0 295.343 -1.546 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001272381133 775903959 /nfs/dbraw/zinc/90/39/59/775903959.db2.gz QGYANTOHHWIMBZ-QWRGUYRKSA-N 1 0 299.375 -1.080 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=CCOCC1 ZINC001272397721 775904691 /nfs/dbraw/zinc/90/46/91/775904691.db2.gz KVCKTZLSQFPUIU-LBPRGKRZSA-N 1 0 297.355 -1.298 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001272397719 775905514 /nfs/dbraw/zinc/90/55/14/775905514.db2.gz KVCKTZLSQFPUIU-GFCCVEGCSA-N 1 0 297.355 -1.298 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001272399547 775907128 /nfs/dbraw/zinc/90/71/28/775907128.db2.gz XSPNOLYCSIJAMP-VXGBXAGGSA-N 1 0 295.343 -1.444 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001272406823 775907495 /nfs/dbraw/zinc/90/74/95/775907495.db2.gz QRHPJEMEHATITK-RKDXNWHRSA-N 1 0 257.290 -1.262 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001272406821 775907767 /nfs/dbraw/zinc/90/77/67/775907767.db2.gz QRHPJEMEHATITK-DTWKUNHWSA-N 1 0 257.290 -1.262 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCNC(=O)NC ZINC001272405801 775908045 /nfs/dbraw/zinc/90/80/45/775908045.db2.gz AWSUANWWBROUTH-SNVBAGLBSA-N 1 0 270.333 -1.605 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001272399546 775908121 /nfs/dbraw/zinc/90/81/21/775908121.db2.gz XSPNOLYCSIJAMP-RYUDHWBXSA-N 1 0 295.343 -1.444 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001272426085 775908837 /nfs/dbraw/zinc/90/88/37/775908837.db2.gz RBYQIQIFCMUFNL-JTQLQIEISA-N 1 0 279.300 -1.665 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001272413428 775909122 /nfs/dbraw/zinc/90/91/22/775909122.db2.gz CSTDWKFIAJJAMG-GHMZBOCLSA-N 1 0 285.344 -1.820 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001272413430 775909231 /nfs/dbraw/zinc/90/92/31/775909231.db2.gz CSTDWKFIAJJAMG-QWRGUYRKSA-N 1 0 285.344 -1.820 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CCOCCO ZINC001272415694 775909868 /nfs/dbraw/zinc/90/98/68/775909868.db2.gz ZSLRUIKSVLUWHP-GFCCVEGCSA-N 1 0 270.329 -1.525 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272415481 775909925 /nfs/dbraw/zinc/90/99/25/775909925.db2.gz YJKFLCRTCZYDKZ-GFCCVEGCSA-N 1 0 277.328 -1.242 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001272413565 775910174 /nfs/dbraw/zinc/91/01/74/775910174.db2.gz DVYJDQPZNJCBDD-BDAKNGLRSA-N 1 0 257.290 -2.423 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001272442785 775910900 /nfs/dbraw/zinc/91/09/00/775910900.db2.gz HZLHVZRIPLCXLF-NSHDSACASA-N 1 0 294.355 -1.117 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001272443718 775911251 /nfs/dbraw/zinc/91/12/51/775911251.db2.gz OSHSCVIPUBFLIE-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1=O ZINC001272435106 775911308 /nfs/dbraw/zinc/91/13/08/775911308.db2.gz OXFLXCXCCQCGET-NSHDSACASA-N 1 0 283.328 -2.065 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001272442782 775911935 /nfs/dbraw/zinc/91/19/35/775911935.db2.gz HZLHVZRIPLCXLF-LLVKDONJSA-N 1 0 294.355 -1.117 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CN(C)C(=O)C1CC1 ZINC001272435580 775911995 /nfs/dbraw/zinc/91/19/95/775911995.db2.gz UUKZPVXTYWTWRC-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001272443128 775912216 /nfs/dbraw/zinc/91/22/16/775912216.db2.gz LLPLJYJULUZBFD-VIFPVBQESA-N 1 0 264.285 -1.906 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN(C)S(C)(=O)=O ZINC001272435538 775912313 /nfs/dbraw/zinc/91/23/13/775912313.db2.gz UBTWGTUXEXFYOH-SNVBAGLBSA-N 1 0 291.373 -2.032 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001272444396 775913004 /nfs/dbraw/zinc/91/30/04/775913004.db2.gz TZJDEMWGRVLMTR-ZJUUUORDSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001272444926 775913287 /nfs/dbraw/zinc/91/32/87/775913287.db2.gz XMJJSYNZYJEJHZ-NXEZZACHSA-N 1 0 253.302 -1.645 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001272462281 775913339 /nfs/dbraw/zinc/91/33/39/775913339.db2.gz UZQKSRJIOOQNPG-SNVBAGLBSA-N 1 0 296.327 -1.408 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001272444927 775913647 /nfs/dbraw/zinc/91/36/47/775913647.db2.gz XMJJSYNZYJEJHZ-VHSXEESVSA-N 1 0 253.302 -1.645 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)COCc1nccn1C ZINC001272444484 775913967 /nfs/dbraw/zinc/91/39/67/775913967.db2.gz UOTFCICXSSMHDR-LLVKDONJSA-N 1 0 280.328 -1.363 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001272462716 775914451 /nfs/dbraw/zinc/91/44/51/775914451.db2.gz YNIGOIXAKOFWAV-NWDGAFQWSA-N 1 0 297.355 -1.771 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001272462645 775915436 /nfs/dbraw/zinc/91/54/36/775915436.db2.gz WZNJDDNJUSKKSQ-QWHCGFSZSA-N 1 0 283.372 -1.203 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697312 775915612 /nfs/dbraw/zinc/91/56/12/775915612.db2.gz QRLRCRAIVQOISF-NEPJUHHUSA-N 1 0 296.371 -1.844 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NCCN1CCNC(=O)C1 ZINC001233962730 775915690 /nfs/dbraw/zinc/91/56/90/775915690.db2.gz MNBDWNFFUTYRNM-UHFFFAOYSA-N 1 0 281.360 -1.718 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697387 775916043 /nfs/dbraw/zinc/91/60/43/775916043.db2.gz VCHLEUYWCPISOC-NEPJUHHUSA-N 1 0 296.371 -1.844 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700429 775917961 /nfs/dbraw/zinc/91/79/61/775917961.db2.gz LYBMOYBGMZCHBT-MXWKQRLJSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001083699993 775918090 /nfs/dbraw/zinc/91/80/90/775918090.db2.gz XGBGETBIPRGURU-KOLCDFICSA-N 1 0 278.312 -1.076 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700430 775918914 /nfs/dbraw/zinc/91/89/14/775918914.db2.gz LYBMOYBGMZCHBT-VWYCJHECSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001272488624 775921006 /nfs/dbraw/zinc/92/10/06/775921006.db2.gz PUDYELVSLXCLBA-MNOVXSKESA-N 1 0 288.369 -1.346 20 30 CAEDRO CC#CCCCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001272495305 775921969 /nfs/dbraw/zinc/92/19/69/775921969.db2.gz CSEOAKGTBSZYJG-JTQLQIEISA-N 1 0 255.318 -1.268 20 30 CAEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001272497496 775922849 /nfs/dbraw/zinc/92/28/49/775922849.db2.gz XTTVGNAAYLTZIN-QMMMGPOBSA-N 1 0 286.332 -1.540 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272503423 775924053 /nfs/dbraw/zinc/92/40/53/775924053.db2.gz CEGBCLGCERHXSM-VHSXEESVSA-N 1 0 284.316 -2.616 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272505578 775924248 /nfs/dbraw/zinc/92/42/48/775924248.db2.gz XSHXDSVLTWAPML-BDAKNGLRSA-N 1 0 256.306 -1.689 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272503421 775924265 /nfs/dbraw/zinc/92/42/65/775924265.db2.gz CEGBCLGCERHXSM-NXEZZACHSA-N 1 0 284.316 -2.616 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272504295 775924573 /nfs/dbraw/zinc/92/45/73/775924573.db2.gz MXBZKALTGXVLLJ-DTWKUNHWSA-N 1 0 254.290 -2.242 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272503424 775924802 /nfs/dbraw/zinc/92/48/02/775924802.db2.gz CEGBCLGCERHXSM-ZJUUUORDSA-N 1 0 284.316 -2.616 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083707014 775925146 /nfs/dbraw/zinc/92/51/46/775925146.db2.gz SJKBWUYVMOAWCC-BDAKNGLRSA-N 1 0 266.305 -1.439 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001272513734 775926673 /nfs/dbraw/zinc/92/66/73/775926673.db2.gz QYBPULAULZWWLA-VIFPVBQESA-N 1 0 266.301 -1.171 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1conc1C ZINC001272511892 775926933 /nfs/dbraw/zinc/92/69/33/775926933.db2.gz GTUAZJSUWHCWBK-JTQLQIEISA-N 1 0 294.311 -1.587 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O)c1 ZINC001272521219 775927793 /nfs/dbraw/zinc/92/77/93/775927793.db2.gz OICQSGNPMYMIBE-JOYOIKCWSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O)c1 ZINC001272521217 775928132 /nfs/dbraw/zinc/92/81/32/775928132.db2.gz OICQSGNPMYMIBE-CABZTGNLSA-N 1 0 290.323 -1.383 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001272519432 775928452 /nfs/dbraw/zinc/92/84/52/775928452.db2.gz AQLDZLKTCVUMGG-BBBLOLIVSA-N 1 0 253.302 -1.802 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001272519431 775928776 /nfs/dbraw/zinc/92/87/76/775928776.db2.gz AQLDZLKTCVUMGG-AEJSXWLSSA-N 1 0 253.302 -1.802 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001272530554 775930113 /nfs/dbraw/zinc/93/01/13/775930113.db2.gz XGKDTVAWRYIKNH-NWDGAFQWSA-N 1 0 293.367 -1.007 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001272528627 775930642 /nfs/dbraw/zinc/93/06/42/775930642.db2.gz CIFHKAOQFPRZOJ-QWRGUYRKSA-N 1 0 294.355 -1.117 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001272528625 775930855 /nfs/dbraw/zinc/93/08/55/775930855.db2.gz CIFHKAOQFPRZOJ-GHMZBOCLSA-N 1 0 294.355 -1.117 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001272537690 775930875 /nfs/dbraw/zinc/93/08/75/775930875.db2.gz VUTWSCWYSRCMJH-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001272537689 775930931 /nfs/dbraw/zinc/93/09/31/775930931.db2.gz VUTWSCWYSRCMJH-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001272545362 775931469 /nfs/dbraw/zinc/93/14/69/775931469.db2.gz NAXNTOOBUBYKBB-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001272545493 775931795 /nfs/dbraw/zinc/93/17/95/775931795.db2.gz KWBJEOWZACRSKT-ZJUUUORDSA-N 1 0 253.302 -1.645 20 30 CAEDRO COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001272548010 775931847 /nfs/dbraw/zinc/93/18/47/775931847.db2.gz ZWOYPPWZRNXNGR-NSHDSACASA-N 1 0 267.329 -1.050 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001272545360 775931958 /nfs/dbraw/zinc/93/19/58/775931958.db2.gz NAXNTOOBUBYKBB-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001272545492 775932005 /nfs/dbraw/zinc/93/20/05/775932005.db2.gz KWBJEOWZACRSKT-VHSXEESVSA-N 1 0 253.302 -1.645 20 30 CAEDRO COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001272548009 775932017 /nfs/dbraw/zinc/93/20/17/775932017.db2.gz ZWOYPPWZRNXNGR-LLVKDONJSA-N 1 0 267.329 -1.050 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001272545490 775932237 /nfs/dbraw/zinc/93/22/37/775932237.db2.gz KWBJEOWZACRSKT-UWVGGRQHSA-N 1 0 253.302 -1.645 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001272552536 775932245 /nfs/dbraw/zinc/93/22/45/775932245.db2.gz GADRDRNBUIACSG-SNVBAGLBSA-N 1 0 266.305 -1.847 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001272545489 775932336 /nfs/dbraw/zinc/93/23/36/775932336.db2.gz KWBJEOWZACRSKT-NXEZZACHSA-N 1 0 253.302 -1.645 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001272545361 775932623 /nfs/dbraw/zinc/93/26/23/775932623.db2.gz NAXNTOOBUBYKBB-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO CCn1cc(C(=O)NC[C@H](O)C[NH2+]CC#CCOC)nn1 ZINC001272553588 775933214 /nfs/dbraw/zinc/93/32/14/775933214.db2.gz QMXSCVMJVGGFPX-LLVKDONJSA-N 1 0 295.343 -1.372 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001272559788 775933686 /nfs/dbraw/zinc/93/36/86/775933686.db2.gz LHQQWMNGJGKVGD-SECBINFHSA-N 1 0 284.316 -1.867 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077525079 775933856 /nfs/dbraw/zinc/93/38/56/775933856.db2.gz DONYHNPZHJTPQT-NXEZZACHSA-N 1 0 280.332 -1.049 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001272554394 775934077 /nfs/dbraw/zinc/93/40/77/775934077.db2.gz VCJAUXPARFUCSF-SECBINFHSA-N 1 0 264.285 -1.573 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCn1cnnn1 ZINC001272553013 775934611 /nfs/dbraw/zinc/93/46/11/775934611.db2.gz NKUPPZXWUNJCIY-VIFPVBQESA-N 1 0 254.294 -1.684 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C ZINC001272566793 775935817 /nfs/dbraw/zinc/93/58/17/775935817.db2.gz DQOABBBZLIEHRI-SNVBAGLBSA-N 1 0 269.345 -1.151 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)N(C)C ZINC001272567420 775936327 /nfs/dbraw/zinc/93/63/27/775936327.db2.gz QJZPQQMNPGGGSR-JTQLQIEISA-N 1 0 293.389 -1.479 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001272567219 775936537 /nfs/dbraw/zinc/93/65/37/775936537.db2.gz MVOYAHVHUWJLAU-NSHDSACASA-N 1 0 297.359 -1.467 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C ZINC001272566792 775936579 /nfs/dbraw/zinc/93/65/79/775936579.db2.gz DQOABBBZLIEHRI-JTQLQIEISA-N 1 0 269.345 -1.151 20 30 CAEDRO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526632 775937186 /nfs/dbraw/zinc/93/71/86/775937186.db2.gz SUEGTSAMKUWILU-RKDXNWHRSA-N 1 0 266.305 -1.439 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083710623 775938228 /nfs/dbraw/zinc/93/82/28/775938228.db2.gz IUKJJUCETBWROK-AXFHLTTASA-N 1 0 267.329 -1.188 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001272574270 775940759 /nfs/dbraw/zinc/94/07/59/775940759.db2.gz GMGCURNEQBHPKK-QMMMGPOBSA-N 1 0 270.289 -2.209 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)Nc1cc(C)on1 ZINC001272575679 775941371 /nfs/dbraw/zinc/94/13/71/775941371.db2.gz QVBKEFUDPLKCED-SECBINFHSA-N 1 0 280.284 -1.379 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001272575860 775941873 /nfs/dbraw/zinc/94/18/73/775941873.db2.gz SAXUXMHYGRFTTN-NXEZZACHSA-N 1 0 296.327 -1.935 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001272583061 775945338 /nfs/dbraw/zinc/94/53/38/775945338.db2.gz DQIWUIXRHSPCIA-JTQLQIEISA-N 1 0 295.343 -1.597 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COC ZINC001122338363 775945379 /nfs/dbraw/zinc/94/53/79/775945379.db2.gz ZNFPGGGTIIJRHE-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001272584085 775947457 /nfs/dbraw/zinc/94/74/57/775947457.db2.gz LPYDBCPQCTWXPR-MNOVXSKESA-N 1 0 277.328 -1.460 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001272584084 775948356 /nfs/dbraw/zinc/94/83/56/775948356.db2.gz LPYDBCPQCTWXPR-GHMZBOCLSA-N 1 0 277.328 -1.460 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)COC ZINC001272600559 775955087 /nfs/dbraw/zinc/95/50/87/775955087.db2.gz QVGGHVBYKQKNTF-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106608914 775958708 /nfs/dbraw/zinc/95/87/08/775958708.db2.gz IVUHDSZBMPHPGZ-OUAUKWLOSA-N 1 0 294.355 -1.706 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC ZINC001122977248 775958943 /nfs/dbraw/zinc/95/89/43/775958943.db2.gz BSRBIZCJDPTWDY-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC ZINC001122977249 775959074 /nfs/dbraw/zinc/95/90/74/775959074.db2.gz BSRBIZCJDPTWDY-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001106602834 775959299 /nfs/dbraw/zinc/95/92/99/775959299.db2.gz UFENMLUEEXSBBI-MXWKQRLJSA-N 1 0 264.329 -1.015 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106613048 775959664 /nfs/dbraw/zinc/95/96/64/775959664.db2.gz YNCWAZJOFQUIBP-NXEZZACHSA-N 1 0 282.344 -1.542 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123072532 775960398 /nfs/dbraw/zinc/96/03/98/775960398.db2.gz RSCGAMFHILPGEG-SECBINFHSA-N 1 0 268.317 -2.034 20 30 CAEDRO CC(=O)NCC(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001272618953 775960516 /nfs/dbraw/zinc/96/05/16/775960516.db2.gz APGAASGGZKOGMR-SECBINFHSA-N 1 0 283.332 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123072533 775960564 /nfs/dbraw/zinc/96/05/64/775960564.db2.gz RSCGAMFHILPGEG-VIFPVBQESA-N 1 0 268.317 -2.034 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001083734344 775960687 /nfs/dbraw/zinc/96/06/87/775960687.db2.gz AOFFRNKBARTKKF-MNOVXSKESA-N 1 0 276.296 -1.432 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001280560009 775962383 /nfs/dbraw/zinc/96/23/83/775962383.db2.gz QQKMPUBBQFWJEC-NSHDSACASA-N 1 0 288.369 -1.129 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001280560008 775963883 /nfs/dbraw/zinc/96/38/83/775963883.db2.gz QQKMPUBBQFWJEC-LLVKDONJSA-N 1 0 288.369 -1.129 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CNC(N)=O ZINC001123257941 775964757 /nfs/dbraw/zinc/96/47/57/775964757.db2.gz KYAQYBNEIBGIKA-UHFFFAOYSA-N 1 0 297.359 -1.439 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001106772545 775965647 /nfs/dbraw/zinc/96/56/47/775965647.db2.gz PELRQDIUZNXNJG-GHMZBOCLSA-N 1 0 292.339 -1.145 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001168504398 775966552 /nfs/dbraw/zinc/96/65/52/775966552.db2.gz SHAREGKZQRRVJN-LBPRGKRZSA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348119 775966730 /nfs/dbraw/zinc/96/67/30/775966730.db2.gz OCKIJRLXPVHTSI-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741063 775967377 /nfs/dbraw/zinc/96/73/77/775967377.db2.gz XDYPISGOJNEPHI-BBBLOLIVSA-N 1 0 266.301 -2.148 20 30 CAEDRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001123348386 775967452 /nfs/dbraw/zinc/96/74/52/775967452.db2.gz XQYNNPVZQIGYAD-UHFFFAOYSA-N 1 0 264.289 -1.621 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1C ZINC001123592300 775975303 /nfs/dbraw/zinc/97/53/03/775975303.db2.gz RVXILKPVSXNRRO-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127428582 775977127 /nfs/dbraw/zinc/97/71/27/775977127.db2.gz WDDDTDANMHHIOL-UHFFFAOYSA-N 1 0 267.293 -2.319 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCn1cncn1 ZINC001123660212 775977173 /nfs/dbraw/zinc/97/71/73/775977173.db2.gz XFGAUKOLYYBDHJ-UHFFFAOYSA-N 1 0 280.332 -1.324 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H](O)C1 ZINC001083755814 775977199 /nfs/dbraw/zinc/97/71/99/775977199.db2.gz NQZTZIKHIPPJDR-NRUUGDAUSA-N 1 0 265.313 -1.550 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001280566099 775978139 /nfs/dbraw/zinc/97/81/39/775978139.db2.gz KYRHKIBHYRIMCK-NWDGAFQWSA-N 1 0 285.344 -1.028 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001123798926 775980406 /nfs/dbraw/zinc/98/04/06/775980406.db2.gz FQFYLNGVLKXIKC-UHFFFAOYSA-N 1 0 299.356 -1.499 20 30 CAEDRO COC[C@H](O)C[NH2+]CCNC(=O)CSCC#N ZINC001123791979 775980412 /nfs/dbraw/zinc/98/04/12/775980412.db2.gz CAWNKJOWGYLVGA-SECBINFHSA-N 1 0 261.347 -1.044 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001123792455 775981579 /nfs/dbraw/zinc/98/15/79/775981579.db2.gz XTCCFMJTYXVBNV-QMMMGPOBSA-N 1 0 284.341 -1.246 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cn2ncnn2)C1=O ZINC001127438988 775983116 /nfs/dbraw/zinc/98/31/16/775983116.db2.gz ZOQGEBNLHHPVRD-JTQLQIEISA-N 1 0 293.331 -1.834 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCC ZINC001123963455 775990398 /nfs/dbraw/zinc/99/03/98/775990398.db2.gz WZLPCFZWNWBAGG-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124088622 775991994 /nfs/dbraw/zinc/99/19/94/775991994.db2.gz HSIMUWBOBYWETD-SNVBAGLBSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001077559124 775992590 /nfs/dbraw/zinc/99/25/90/775992590.db2.gz ZNPDGCQJTOHQMM-IJLUTSLNSA-N 1 0 279.340 -1.208 20 30 CAEDRO CCO[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124141431 775994492 /nfs/dbraw/zinc/99/44/92/775994492.db2.gz UWLOXSBUQIMBGP-NXEZZACHSA-N 1 0 268.317 -1.243 20 30 CAEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127604767 775996964 /nfs/dbraw/zinc/99/69/64/775996964.db2.gz MVZPVZGSKXWAEF-ZJUUUORDSA-N 1 0 298.343 -1.132 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047355281 776000230 /nfs/dbraw/zinc/00/02/30/776000230.db2.gz YWEAMSZPAYSZFK-QWRGUYRKSA-N 1 0 293.327 -1.490 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124367251 776000471 /nfs/dbraw/zinc/00/04/71/776000471.db2.gz STDGMNQDRVXABO-SECBINFHSA-N 1 0 291.373 -1.573 20 30 CAEDRO C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038595468 776001923 /nfs/dbraw/zinc/00/19/23/776001923.db2.gz FHYMSUQPCMPZBH-ZJUUUORDSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CCN1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038595462 776001951 /nfs/dbraw/zinc/00/19/51/776001951.db2.gz FHYMSUQPCMPZBH-VHSXEESVSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CCN1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038595458 776002900 /nfs/dbraw/zinc/00/29/00/776002900.db2.gz FHYMSUQPCMPZBH-UWVGGRQHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001124487919 776005015 /nfs/dbraw/zinc/00/50/15/776005015.db2.gz JCFDULCDHHNVLS-SECBINFHSA-N 1 0 286.332 -1.132 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCOC1 ZINC001124500715 776005283 /nfs/dbraw/zinc/00/52/83/776005283.db2.gz DDYXMIBGGJKZOT-JTQLQIEISA-N 1 0 298.343 -1.260 20 30 CAEDRO CO[C@@H](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124621428 776005837 /nfs/dbraw/zinc/00/58/37/776005837.db2.gz MKWCLAKERQYREC-VIFPVBQESA-N 1 0 256.306 -1.243 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001124664547 776008340 /nfs/dbraw/zinc/00/83/40/776008340.db2.gz XKLXIRNBRVEPEG-NXEZZACHSA-N 1 0 283.328 -1.197 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083775343 776008468 /nfs/dbraw/zinc/00/84/68/776008468.db2.gz QXRCFDFNAANCON-UHIISALHSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC=C ZINC001124765028 776011040 /nfs/dbraw/zinc/01/10/40/776011040.db2.gz IISJOOZZTZHPRA-UHFFFAOYSA-N 1 0 298.343 -1.093 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001124767336 776011228 /nfs/dbraw/zinc/01/12/28/776011228.db2.gz CCKNDSZUGJEKGD-SECBINFHSA-N 1 0 269.301 -1.300 20 30 CAEDRO COC[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124748949 776011646 /nfs/dbraw/zinc/01/16/46/776011646.db2.gz MFGMDQBSAJUJLM-SECBINFHSA-N 1 0 256.306 -1.386 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)COC ZINC001124748225 776012250 /nfs/dbraw/zinc/01/22/50/776012250.db2.gz CKADLMHADXJBLF-SNVBAGLBSA-N 1 0 255.318 -1.276 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)COC ZINC001124748224 776012357 /nfs/dbraw/zinc/01/23/57/776012357.db2.gz CKADLMHADXJBLF-JTQLQIEISA-N 1 0 255.318 -1.276 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001106991452 776013952 /nfs/dbraw/zinc/01/39/52/776013952.db2.gz BWCFIIOPCBAOOR-IJLUTSLNSA-N 1 0 299.396 -1.005 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804843 776014024 /nfs/dbraw/zinc/01/40/24/776014024.db2.gz MWWAHDCDQDNGMZ-NXEZZACHSA-N 1 0 280.328 -1.891 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805235 776014338 /nfs/dbraw/zinc/01/43/38/776014338.db2.gz VYDYAWSXQOHGMC-SECBINFHSA-N 1 0 268.317 -1.727 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124888320 776015602 /nfs/dbraw/zinc/01/56/02/776015602.db2.gz GPROIUSKGPHRDK-ZETCQYMHSA-N 1 0 255.278 -1.693 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CC ZINC001124883660 776016374 /nfs/dbraw/zinc/01/63/74/776016374.db2.gz SZQPONCAMCJBDJ-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124888326 776016504 /nfs/dbraw/zinc/01/65/04/776016504.db2.gz GSQQRYHVUDJPNT-VIFPVBQESA-N 1 0 281.316 -2.190 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124888325 776016599 /nfs/dbraw/zinc/01/65/99/776016599.db2.gz GSQQRYHVUDJPNT-SECBINFHSA-N 1 0 281.316 -2.190 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001124903939 776017106 /nfs/dbraw/zinc/01/71/06/776017106.db2.gz UQZKUHUDQZWHLT-QMMMGPOBSA-N 1 0 267.289 -1.596 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001124895748 776017159 /nfs/dbraw/zinc/01/71/59/776017159.db2.gz JDLBAKBUCDTOJF-SNVBAGLBSA-N 1 0 288.373 -1.113 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001124908930 776017732 /nfs/dbraw/zinc/01/77/32/776017732.db2.gz VTQSWKZKOQLCSP-SECBINFHSA-N 1 0 293.327 -1.551 20 30 CAEDRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124896090 776017812 /nfs/dbraw/zinc/01/78/12/776017812.db2.gz LRIPLZQLVQOEAW-QWRGUYRKSA-N 1 0 273.333 -1.124 20 30 CAEDRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124902273 776017849 /nfs/dbraw/zinc/01/78/49/776017849.db2.gz IMHXPIHNBZWZBT-SECBINFHSA-N 1 0 276.362 -1.209 20 30 CAEDRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124896088 776017933 /nfs/dbraw/zinc/01/79/33/776017933.db2.gz LRIPLZQLVQOEAW-GHMZBOCLSA-N 1 0 273.333 -1.124 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COCCOC ZINC001124908885 776018169 /nfs/dbraw/zinc/01/81/69/776018169.db2.gz UPNQJARMKDZFAS-UHFFFAOYSA-N 1 0 273.333 -1.343 20 30 CAEDRO CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124902274 776018180 /nfs/dbraw/zinc/01/81/80/776018180.db2.gz IMHXPIHNBZWZBT-VIFPVBQESA-N 1 0 276.362 -1.209 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001124908684 776018235 /nfs/dbraw/zinc/01/82/35/776018235.db2.gz PDQOCIKEOGPTMH-NXEZZACHSA-N 1 0 297.359 -1.555 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCCOC ZINC001124921130 776019739 /nfs/dbraw/zinc/01/97/39/776019739.db2.gz NXMKFUBGSXQWPB-UHFFFAOYSA-N 1 0 271.317 -1.895 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125028922 776020842 /nfs/dbraw/zinc/02/08/42/776020842.db2.gz APYOIWQBQLJWKX-UHFFFAOYSA-N 1 0 276.300 -1.872 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CC(N)=O ZINC001125090654 776024861 /nfs/dbraw/zinc/02/48/61/776024861.db2.gz OPCKLRUWBNTBOT-UHFFFAOYSA-N 1 0 282.344 -1.232 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125203976 776027735 /nfs/dbraw/zinc/02/77/35/776027735.db2.gz WPLFPEQEJQEZLV-NWDGAFQWSA-N 1 0 298.387 -1.287 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125203977 776028384 /nfs/dbraw/zinc/02/83/84/776028384.db2.gz WPLFPEQEJQEZLV-RYUDHWBXSA-N 1 0 298.387 -1.287 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccn(CC)n1 ZINC001127726177 776034602 /nfs/dbraw/zinc/03/46/02/776034602.db2.gz ZDEVNTSUJJNNTO-UHFFFAOYSA-N 1 0 291.355 -1.099 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001077585983 776037708 /nfs/dbraw/zinc/03/77/08/776037708.db2.gz AOFFRNKBARTKKF-GHMZBOCLSA-N 1 0 276.296 -1.432 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]12C[C@H]1COC2 ZINC001127754147 776038128 /nfs/dbraw/zinc/03/81/28/776038128.db2.gz XQXVOCRWBRBSGT-SUNKGSAMSA-N 1 0 279.340 -1.133 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077600655 776043418 /nfs/dbraw/zinc/04/34/18/776043418.db2.gz SWPCXDHCPPVTTR-OPRDCNLKSA-N 1 0 268.317 -1.595 20 30 CAEDRO C[NH+]1CCC(C#N)(NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001127793309 776048473 /nfs/dbraw/zinc/04/84/73/776048473.db2.gz KYBRCZOVSLDMNP-UHFFFAOYSA-N 1 0 291.315 -1.519 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001077625046 776051005 /nfs/dbraw/zinc/05/10/05/776051005.db2.gz OFJHYOHJJCVEPU-MWLCHTKSSA-N 1 0 278.312 -1.076 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001077658996 776054379 /nfs/dbraw/zinc/05/43/79/776054379.db2.gz UUMDUDMTYWOQKO-IJLUTSLNSA-N 1 0 279.340 -1.160 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077669868 776056108 /nfs/dbraw/zinc/05/61/08/776056108.db2.gz RQGKIGKDXFTNRL-WISYIIOYSA-N 1 0 297.355 -1.243 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686473 776059193 /nfs/dbraw/zinc/05/91/93/776059193.db2.gz QSUNNNQUIGGRNV-LMLFDSFASA-N 1 0 265.313 -1.708 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001077689475 776060915 /nfs/dbraw/zinc/06/09/15/776060915.db2.gz NMULISFISGDIAK-VXGBXAGGSA-N 1 0 290.323 -1.088 20 30 CAEDRO C#CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001114998471 776065744 /nfs/dbraw/zinc/06/57/44/776065744.db2.gz SHMVHCBTHWCIBC-PJXYFTJBSA-N 1 0 299.334 -1.114 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077753710 776066916 /nfs/dbraw/zinc/06/69/16/776066916.db2.gz TVZFWVHSLUWJIE-DJLDLDEBSA-N 1 0 282.300 -2.068 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)nn1 ZINC001077801531 776072096 /nfs/dbraw/zinc/07/20/96/776072096.db2.gz VJYDXGHOBZYTAF-HOSYDEDBSA-N 1 0 295.343 -1.380 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)nn1 ZINC001077801530 776072514 /nfs/dbraw/zinc/07/25/14/776072514.db2.gz VJYDXGHOBZYTAF-CKYFFXLPSA-N 1 0 295.343 -1.380 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127966755 776074016 /nfs/dbraw/zinc/07/40/16/776074016.db2.gz GFCWGDARDQZCRP-JTQLQIEISA-N 1 0 298.343 -2.407 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127979334 776076835 /nfs/dbraw/zinc/07/68/35/776076835.db2.gz SCVMQSUBFYUDHP-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127985568 776078730 /nfs/dbraw/zinc/07/87/30/776078730.db2.gz OFONZUTUSIMRTB-VIFPVBQESA-N 1 0 283.332 -1.753 20 30 CAEDRO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127985566 776078744 /nfs/dbraw/zinc/07/87/44/776078744.db2.gz OFONZUTUSIMRTB-SECBINFHSA-N 1 0 283.332 -1.753 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127995518 776081057 /nfs/dbraw/zinc/08/10/57/776081057.db2.gz ZFWXAVICZMMIGU-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC001168606858 776082104 /nfs/dbraw/zinc/08/21/04/776082104.db2.gz MUIHVDXUZDDSQU-UHFFFAOYSA-N 1 0 298.343 -1.163 20 30 CAEDRO C=CCNC(=O)CN1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611413 776085917 /nfs/dbraw/zinc/08/59/17/776085917.db2.gz QOBFYRNZWZFLFU-GHMZBOCLSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001077826800 776086422 /nfs/dbraw/zinc/08/64/22/776086422.db2.gz SEOBRCMCZWWUCW-QJPTWQEYSA-N 1 0 279.340 -1.160 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077831371 776089288 /nfs/dbraw/zinc/08/92/88/776089288.db2.gz OENARKLSEBXJCB-GHMZBOCLSA-N 1 0 295.339 -1.223 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001077834494 776091005 /nfs/dbraw/zinc/09/10/05/776091005.db2.gz WZORZDSLVAYYBV-NXEZZACHSA-N 1 0 251.290 -1.224 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077852982 776096103 /nfs/dbraw/zinc/09/61/03/776096103.db2.gz DTBSIWMWEXCYDT-NXEZZACHSA-N 1 0 294.311 -2.277 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128104501 776104378 /nfs/dbraw/zinc/10/43/78/776104378.db2.gz MHRKKECQRHOUDZ-UHFFFAOYSA-N 1 0 287.341 -2.514 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976800 776107361 /nfs/dbraw/zinc/10/73/61/776107361.db2.gz VXNUHNQQIOXWKC-NXEZZACHSA-N 1 0 263.301 -1.468 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118073 776116758 /nfs/dbraw/zinc/11/67/58/776116758.db2.gz WSQARRRCCGCGTI-QWRGUYRKSA-N 1 0 294.355 -1.213 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179041 776128483 /nfs/dbraw/zinc/12/84/83/776128483.db2.gz PNUTUBOURYEPJX-VXGBXAGGSA-N 1 0 251.330 -1.123 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078151679 776128594 /nfs/dbraw/zinc/12/85/94/776128594.db2.gz GVTZKAZMOLPOLP-GHMZBOCLSA-N 1 0 295.339 -1.127 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001078209512 776132555 /nfs/dbraw/zinc/13/25/55/776132555.db2.gz HYTGATAIRMVTJN-MGPQQGTHSA-N 1 0 295.383 -1.108 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001078289144 776137105 /nfs/dbraw/zinc/13/71/05/776137105.db2.gz FSIGXMQITODDLQ-GMTAPVOTSA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001078279900 776137788 /nfs/dbraw/zinc/13/77/88/776137788.db2.gz FPFGACNFINBYJO-GRYCIOLGSA-N 1 0 294.355 -1.286 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001078294960 776139931 /nfs/dbraw/zinc/13/99/31/776139931.db2.gz OJWZYRNQSXPLHD-GMTAPVOTSA-N 1 0 295.339 -1.223 20 30 CAEDRO CC[NH+]1CCN(CCC(=O)NCC(=O)NCC#N)CC1 ZINC001117320563 776170503 /nfs/dbraw/zinc/17/05/03/776170503.db2.gz KNSRNIUXBLRWGA-UHFFFAOYSA-N 1 0 281.360 -1.230 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@H](NC(=O)COCC)[C@@H](O)C1 ZINC001099648928 776171001 /nfs/dbraw/zinc/17/10/01/776171001.db2.gz ZXOMYMRFLTXFMM-NEPJUHHUSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1ccnn1C ZINC001128469475 776172149 /nfs/dbraw/zinc/17/21/49/776172149.db2.gz VKVFGIPYLFRGGP-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820265 776175062 /nfs/dbraw/zinc/17/50/62/776175062.db2.gz BUGUYKALDGLUCG-AEJSXWLSSA-N 1 0 294.311 -2.231 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054568 776176456 /nfs/dbraw/zinc/17/64/56/776176456.db2.gz KIZBFYJBJTYWCI-GHMZBOCLSA-N 1 0 278.316 -1.752 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054941 776176528 /nfs/dbraw/zinc/17/65/28/776176528.db2.gz NJWOATQYDRXBBH-WDEREUQCSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054938 776177422 /nfs/dbraw/zinc/17/74/22/776177422.db2.gz NJWOATQYDRXBBH-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651404 776178720 /nfs/dbraw/zinc/17/87/20/776178720.db2.gz UJQPDIGPBLSACH-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090059382 776178810 /nfs/dbraw/zinc/17/88/10/776178810.db2.gz GHVYQCDQDOKWAZ-RYUDHWBXSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090059378 776178833 /nfs/dbraw/zinc/17/88/33/776178833.db2.gz GHVYQCDQDOKWAZ-NEPJUHHUSA-N 1 0 279.340 -1.207 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056343 776179221 /nfs/dbraw/zinc/17/92/21/776179221.db2.gz FWUSPYJTXHBXOZ-UWVGGRQHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056344 776179314 /nfs/dbraw/zinc/17/93/14/776179314.db2.gz FWUSPYJTXHBXOZ-VHSXEESVSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 ZINC001083825355 776182286 /nfs/dbraw/zinc/18/22/86/776182286.db2.gz OMQVALSEMXOLPD-OLZOCXBDSA-N 1 0 289.335 -1.049 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)nn1 ZINC001083842947 776188699 /nfs/dbraw/zinc/18/86/99/776188699.db2.gz LDTGYYCRNLDEHU-PWSUYJOCSA-N 1 0 295.343 -1.379 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cnon1 ZINC001273083957 776190096 /nfs/dbraw/zinc/19/00/96/776190096.db2.gz XSEZJQYELRVFMH-VIFPVBQESA-N 1 0 279.300 -1.083 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666166 776194497 /nfs/dbraw/zinc/19/44/97/776194497.db2.gz QUUGDPXHIHSCTP-RKDXNWHRSA-N 1 0 256.306 -1.608 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666163 776195455 /nfs/dbraw/zinc/19/54/55/776195455.db2.gz QUUGDPXHIHSCTP-BDAKNGLRSA-N 1 0 256.306 -1.608 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN(C)C(=O)C(C)C ZINC001128590471 776197881 /nfs/dbraw/zinc/19/78/81/776197881.db2.gz MCRREEGQZYITMC-UHFFFAOYSA-N 1 0 296.371 -1.444 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128601472 776198159 /nfs/dbraw/zinc/19/81/59/776198159.db2.gz UEIQPXKCXRASFS-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128595302 776199089 /nfs/dbraw/zinc/19/90/89/776199089.db2.gz XLXRCQDRFCDKMK-UHFFFAOYSA-N 1 0 293.389 -1.166 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128604265 776199571 /nfs/dbraw/zinc/19/95/71/776199571.db2.gz UGTBRFJRHGTUFR-UHFFFAOYSA-N 1 0 293.389 -1.214 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN(C)C(=O)C1CC1 ZINC001128614255 776200394 /nfs/dbraw/zinc/20/03/94/776200394.db2.gz QCAHNFUIVIKSAV-UHFFFAOYSA-N 1 0 294.355 -1.690 20 30 CAEDRO CN(CC(=O)NCC[NH2+]CC(=O)NCC#N)C(=O)C1CC1 ZINC001128613590 776200783 /nfs/dbraw/zinc/20/07/83/776200783.db2.gz FTIHMWBGJNXZQJ-UHFFFAOYSA-N 1 0 295.343 -1.800 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC001128619064 776201269 /nfs/dbraw/zinc/20/12/69/776201269.db2.gz MCHOJHZBCMYXNU-UHFFFAOYSA-N 1 0 285.344 -1.553 20 30 CAEDRO CCN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001128644414 776202626 /nfs/dbraw/zinc/20/26/26/776202626.db2.gz RHEPCELOMYDFEV-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128671705 776204896 /nfs/dbraw/zinc/20/48/96/776204896.db2.gz DHKAAFTUYHIMCQ-QWRGUYRKSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128672487 776204943 /nfs/dbraw/zinc/20/49/43/776204943.db2.gz HZJIREHOPLYFIQ-GHMZBOCLSA-N 1 0 296.371 -1.139 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128672489 776205256 /nfs/dbraw/zinc/20/52/56/776205256.db2.gz HZJIREHOPLYFIQ-QWRGUYRKSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128728699 776210968 /nfs/dbraw/zinc/21/09/68/776210968.db2.gz XODVRMIUDNHYRP-SECBINFHSA-N 1 0 251.286 -1.137 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858695 776211929 /nfs/dbraw/zinc/21/19/29/776211929.db2.gz OENARKLSEBXJCB-MNOVXSKESA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858430 776212543 /nfs/dbraw/zinc/21/25/43/776212543.db2.gz BYOWPUWSGDBXJN-MNOVXSKESA-N 1 0 293.323 -1.776 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CNC(=O)NC)C1=O ZINC001128795088 776216046 /nfs/dbraw/zinc/21/60/46/776216046.db2.gz JCZGGXASDGVVKY-JTQLQIEISA-N 1 0 297.359 -1.592 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CNC(=O)NC)C1=O ZINC001128795089 776216761 /nfs/dbraw/zinc/21/67/61/776216761.db2.gz JCZGGXASDGVVKY-SNVBAGLBSA-N 1 0 297.359 -1.592 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CNC(=O)NC ZINC001128795702 776217260 /nfs/dbraw/zinc/21/72/60/776217260.db2.gz RZEPGRDSBHMMQI-UHFFFAOYSA-N 1 0 258.322 -1.176 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128800117 776218028 /nfs/dbraw/zinc/21/80/28/776218028.db2.gz OGGMGIXBCMLOGJ-SECBINFHSA-N 1 0 285.348 -1.688 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc2n(n1)CCC2 ZINC001128904449 776222378 /nfs/dbraw/zinc/22/23/78/776222378.db2.gz DPUAACNKPUKXOX-UHFFFAOYSA-N 1 0 290.327 -1.212 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090203707 776222423 /nfs/dbraw/zinc/22/24/23/776222423.db2.gz IYILMACZABIQJY-ZIAGYGMSSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc2n(n1)CCC2 ZINC001128905582 776222731 /nfs/dbraw/zinc/22/27/31/776222731.db2.gz ZWVXADCFRYCQHP-UHFFFAOYSA-N 1 0 289.339 -1.102 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC001117973076 776235919 /nfs/dbraw/zinc/23/59/19/776235919.db2.gz NVPCAUYKCKPNML-GHMZBOCLSA-N 1 0 297.355 -1.018 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC001117973077 776236866 /nfs/dbraw/zinc/23/68/66/776236866.db2.gz NVPCAUYKCKPNML-MNOVXSKESA-N 1 0 297.355 -1.018 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC001117973079 776238468 /nfs/dbraw/zinc/23/84/68/776238468.db2.gz NVPCAUYKCKPNML-WDEREUQCSA-N 1 0 297.355 -1.018 20 30 CAEDRO C[NH+]1CCN(CCC(=O)N[C@H](C#N)C(N)=O)CC1 ZINC001143237107 776242412 /nfs/dbraw/zinc/24/24/12/776242412.db2.gz DVQMASIQYZNNEA-SECBINFHSA-N 1 0 253.306 -1.882 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCCn1ccnn1 ZINC001129169142 776244735 /nfs/dbraw/zinc/24/47/35/776244735.db2.gz RMILXZPHTXZKTF-UHFFFAOYSA-N 1 0 293.331 -1.596 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCn1ccnn1 ZINC001129172514 776246127 /nfs/dbraw/zinc/24/61/27/776246127.db2.gz NFUBZHIGYFSBRW-UHFFFAOYSA-N 1 0 292.343 -1.487 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)nnn1CC ZINC001129273846 776251956 /nfs/dbraw/zinc/25/19/56/776251956.db2.gz AVRCAJNVKSXKRA-UHFFFAOYSA-N 1 0 292.343 -1.325 20 30 CAEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268571 776259612 /nfs/dbraw/zinc/25/96/12/776259612.db2.gz NOIZNFGCRLOROJ-QWRGUYRKSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270024 776261555 /nfs/dbraw/zinc/26/15/55/776261555.db2.gz VMZASVKCYLMUPL-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129291602 776270363 /nfs/dbraw/zinc/27/03/63/776270363.db2.gz YPZJBKWHCORROY-SNVBAGLBSA-N 1 0 282.344 -1.479 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129291601 776271062 /nfs/dbraw/zinc/27/10/62/776271062.db2.gz YPZJBKWHCORROY-JTQLQIEISA-N 1 0 282.344 -1.479 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129297064 776273819 /nfs/dbraw/zinc/27/38/19/776273819.db2.gz JKIKDSUAYOBWIB-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129297067 776274851 /nfs/dbraw/zinc/27/48/51/776274851.db2.gz JKIKDSUAYOBWIB-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129305310 776277442 /nfs/dbraw/zinc/27/74/42/776277442.db2.gz VGYLKKRQYNAYRI-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO Cc1ncc(CC(=O)NCC[NH2+]CC(=O)NCC#N)o1 ZINC001129304900 776277930 /nfs/dbraw/zinc/27/79/30/776277930.db2.gz RWILJEOGYBDPOS-UHFFFAOYSA-N 1 0 279.300 -1.129 20 30 CAEDRO C=CCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001090292327 776284301 /nfs/dbraw/zinc/28/43/01/776284301.db2.gz OCPSUCDLVKYKIB-WDEREUQCSA-N 1 0 288.369 -1.232 20 30 CAEDRO C=CCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001090292324 776284429 /nfs/dbraw/zinc/28/44/29/776284429.db2.gz OCPSUCDLVKYKIB-MNOVXSKESA-N 1 0 288.369 -1.232 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001083904827 776284572 /nfs/dbraw/zinc/28/45/72/776284572.db2.gz BZAWBHZORAAKEZ-MNOVXSKESA-N 1 0 264.285 -1.285 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298133 776286854 /nfs/dbraw/zinc/28/68/54/776286854.db2.gz NGJFATYXWZNOOY-NEPJUHHUSA-N 1 0 277.328 -1.147 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298514 776287432 /nfs/dbraw/zinc/28/74/32/776287432.db2.gz QFOUPXGNEXSXTP-RYUDHWBXSA-N 1 0 277.328 -1.147 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298135 776287446 /nfs/dbraw/zinc/28/74/46/776287446.db2.gz NGJFATYXWZNOOY-RYUDHWBXSA-N 1 0 277.328 -1.147 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)CC(N)=O ZINC001163903973 776308167 /nfs/dbraw/zinc/30/81/67/776308167.db2.gz ABMVKXBNSCHXRW-SNVBAGLBSA-N 1 0 282.344 -1.657 20 30 CAEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730697 776312670 /nfs/dbraw/zinc/31/26/70/776312670.db2.gz JRSPPKLOMTZCRO-NXEZZACHSA-N 1 0 292.343 -1.001 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001079993202 776316043 /nfs/dbraw/zinc/31/60/43/776316043.db2.gz AKXKFSSBGQITPX-CHWSQXEVSA-N 1 0 292.383 -1.170 20 30 CAEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099707917 776318730 /nfs/dbraw/zinc/31/87/30/776318730.db2.gz WYJSWKUAQUMCDY-MNOVXSKESA-N 1 0 283.328 -1.083 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080256295 776321404 /nfs/dbraw/zinc/32/14/04/776321404.db2.gz JAVLCCIDHJNCLG-VXGBXAGGSA-N 1 0 278.356 -1.512 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080633643 776331182 /nfs/dbraw/zinc/33/11/82/776331182.db2.gz MFUVOQVIDGAGMG-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080633611 776331576 /nfs/dbraw/zinc/33/15/76/776331576.db2.gz LBUNGKTUXXCCHK-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001080525800 776331627 /nfs/dbraw/zinc/33/16/27/776331627.db2.gz MJSFQYDPSISAJZ-KXUCPTDWSA-N 1 0 278.312 -1.346 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080908156 776340427 /nfs/dbraw/zinc/34/04/27/776340427.db2.gz YJRZLKQNRBUADD-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001080869790 776340482 /nfs/dbraw/zinc/34/04/82/776340482.db2.gz YUPVYJDLMRYBRH-ZYHUDNBSSA-N 1 0 291.355 -1.040 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001080959957 776341165 /nfs/dbraw/zinc/34/11/65/776341165.db2.gz XVVOJHUHHSRMPT-OUAUKWLOSA-N 1 0 285.369 -1.252 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001081565738 776373305 /nfs/dbraw/zinc/37/33/05/776373305.db2.gz LBUAPEOCMXHAGR-GHMZBOCLSA-N 1 0 293.327 -1.178 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 ZINC001081612439 776379335 /nfs/dbraw/zinc/37/93/35/776379335.db2.gz LAMTYCSBFRRAMF-OUAUKWLOSA-N 1 0 281.312 -1.067 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082083582 776403855 /nfs/dbraw/zinc/40/38/55/776403855.db2.gz PSBVYWOKJPRCIR-HBNTYKKESA-N 1 0 280.328 -1.494 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 ZINC001082140226 776407627 /nfs/dbraw/zinc/40/76/27/776407627.db2.gz QSMDPOUWSYWMJR-WRWGMCAJSA-N 1 0 279.340 -1.054 20 30 CAEDRO OC[C@@H]1C[N@H+](CC#CCN2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822476 776409250 /nfs/dbraw/zinc/40/92/50/776409250.db2.gz JTASQSYSXATCDM-XDQVBPFNSA-N 1 0 284.356 -2.440 20 30 CAEDRO OC[C@H]1C[N@H+](CC#CCN2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822475 776409634 /nfs/dbraw/zinc/40/96/34/776409634.db2.gz JTASQSYSXATCDM-LVEBTZEWSA-N 1 0 284.356 -2.440 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001118902495 776417088 /nfs/dbraw/zinc/41/70/88/776417088.db2.gz MHVGISPTNDLIDB-ZJUUUORDSA-N 1 0 253.302 -1.347 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001118902492 776417386 /nfs/dbraw/zinc/41/73/86/776417386.db2.gz MHVGISPTNDLIDB-NXEZZACHSA-N 1 0 253.302 -1.347 20 30 CAEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001118977212 776420051 /nfs/dbraw/zinc/42/00/51/776420051.db2.gz YMBKEBXPNLOQHG-GFCCVEGCSA-N 1 0 293.371 -1.137 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757845 776420444 /nfs/dbraw/zinc/42/04/44/776420444.db2.gz KKUMZWPOOYHHTL-WDEREUQCSA-N 1 0 285.344 -1.384 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757843 776420522 /nfs/dbraw/zinc/42/05/22/776420522.db2.gz KKUMZWPOOYHHTL-MNOVXSKESA-N 1 0 285.344 -1.384 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001082714609 776422348 /nfs/dbraw/zinc/42/23/48/776422348.db2.gz RXXZKYGRRJDMDK-OPRDCNLKSA-N 1 0 250.302 -1.263 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001090388794 776425122 /nfs/dbraw/zinc/42/51/22/776425122.db2.gz SPQODCRJOWRNOH-GXSJLCMTSA-N 1 0 263.301 -1.007 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001090388798 776425279 /nfs/dbraw/zinc/42/52/79/776425279.db2.gz SPQODCRJOWRNOH-MWLCHTKSSA-N 1 0 263.301 -1.007 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001082927095 776425386 /nfs/dbraw/zinc/42/53/86/776425386.db2.gz KUABBNSYHAPZTJ-GMTAPVOTSA-N 1 0 285.369 -1.252 20 30 CAEDRO CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273209060 776426376 /nfs/dbraw/zinc/42/63/76/776426376.db2.gz WGBKTDCDGVWTJH-JTQLQIEISA-N 1 0 268.317 -1.147 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099788008 776430812 /nfs/dbraw/zinc/43/08/12/776430812.db2.gz ARIHQNFJOQSCLX-RYUDHWBXSA-N 1 0 297.355 -1.940 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099788007 776431022 /nfs/dbraw/zinc/43/10/22/776431022.db2.gz ARIHQNFJOQSCLX-NWDGAFQWSA-N 1 0 297.355 -1.940 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099788006 776431438 /nfs/dbraw/zinc/43/14/38/776431438.db2.gz ARIHQNFJOQSCLX-NEPJUHHUSA-N 1 0 297.355 -1.940 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC#CC)C[C@@H]1O ZINC001099790251 776432467 /nfs/dbraw/zinc/43/24/67/776432467.db2.gz ZNZBBXSAWXZWFB-OLZOCXBDSA-N 1 0 291.351 -1.299 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001083083348 776432553 /nfs/dbraw/zinc/43/25/53/776432553.db2.gz PUOOVZFFCQVCAH-NWDGAFQWSA-N 1 0 290.327 -1.392 20 30 CAEDRO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC001083181769 776435680 /nfs/dbraw/zinc/43/56/80/776435680.db2.gz WGUCLHVLCVYBPE-VHSXEESVSA-N 1 0 253.302 -1.041 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CNC(=O)N3)[C@H]2C1 ZINC001083180174 776436717 /nfs/dbraw/zinc/43/67/17/776436717.db2.gz WGNFMHCAYUPPSE-GRYCIOLGSA-N 1 0 292.339 -1.397 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083970085 776438909 /nfs/dbraw/zinc/43/89/09/776438909.db2.gz FCKSZXBKSSBNGM-AXFHLTTASA-N 1 0 265.313 -1.550 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957727 776439152 /nfs/dbraw/zinc/43/91/52/776439152.db2.gz MVEFHSFDYNIXTA-NEPJUHHUSA-N 1 0 263.341 -1.123 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035498 776440799 /nfs/dbraw/zinc/44/07/99/776440799.db2.gz WFHYFTWFXYCBHD-ZJUUUORDSA-N 1 0 296.327 -1.724 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084039691 776441184 /nfs/dbraw/zinc/44/11/84/776441184.db2.gz GVTZKAZMOLPOLP-MNOVXSKESA-N 1 0 295.339 -1.127 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084040122 776442268 /nfs/dbraw/zinc/44/22/68/776442268.db2.gz ZPKUNLVLMKODPL-MNOVXSKESA-N 1 0 295.339 -1.127 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084040312 776442325 /nfs/dbraw/zinc/44/23/25/776442325.db2.gz BBDOOZPYNLRCPA-MNOVXSKESA-N 1 0 293.323 -1.680 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@@H](O)C1 ZINC001084078766 776444106 /nfs/dbraw/zinc/44/41/06/776444106.db2.gz HYTGATAIRMVTJN-RDBSUJKOSA-N 1 0 295.383 -1.108 20 30 CAEDRO N#CCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058393 776446002 /nfs/dbraw/zinc/44/60/02/776446002.db2.gz YVRDNSQGXNYFIZ-MNOVXSKESA-N 1 0 252.318 -1.233 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097150 776448491 /nfs/dbraw/zinc/44/84/91/776448491.db2.gz GIJJUFSDEQYJCG-PWSUYJOCSA-N 1 0 292.339 -1.478 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097975 776449250 /nfs/dbraw/zinc/44/92/50/776449250.db2.gz MRAWCPBERGAZLI-KOLCDFICSA-N 1 0 278.312 -1.868 20 30 CAEDRO CCN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)[C@H]1CC[NH2+]C1 ZINC001119439250 776455104 /nfs/dbraw/zinc/45/51/04/776455104.db2.gz SHFIHGJHKLZLMT-QWRGUYRKSA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813173 776459235 /nfs/dbraw/zinc/45/92/35/776459235.db2.gz KXBSWWBVOIZOFJ-VXGBXAGGSA-N 1 0 296.371 -1.120 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)CS(=O)(=O)NC)CC1 ZINC001230279764 776462686 /nfs/dbraw/zinc/46/26/86/776462686.db2.gz ZKWLVZCBXHRUHF-UHFFFAOYSA-N 1 0 273.358 -1.251 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001273238708 776462879 /nfs/dbraw/zinc/46/28/79/776462879.db2.gz ZEIJTZSIPGGBPO-WDEREUQCSA-N 1 0 285.344 -1.120 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099858371 776464633 /nfs/dbraw/zinc/46/46/33/776464633.db2.gz KXCQWXVDUSRCIT-UWVGGRQHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCO1 ZINC001273252575 776465261 /nfs/dbraw/zinc/46/52/61/776465261.db2.gz UCKCRYRGXKVNIU-ZDUSSCGKSA-N 1 0 279.340 -1.085 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001273251918 776466078 /nfs/dbraw/zinc/46/60/78/776466078.db2.gz ORLHKUMJEKMLHO-LBPRGKRZSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCO1 ZINC001273260813 776467266 /nfs/dbraw/zinc/46/72/66/776467266.db2.gz MYLUEVMFQCLYJN-MNOVXSKESA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CCOCCC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001273259870 776467398 /nfs/dbraw/zinc/46/73/98/776467398.db2.gz CKPRYDJCAHMLCE-NSHDSACASA-N 1 0 283.328 -1.671 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001273309559 776478800 /nfs/dbraw/zinc/47/88/00/776478800.db2.gz ZMAUJNFTJIBQCN-VIFPVBQESA-N 1 0 282.300 -2.962 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001273309558 776479437 /nfs/dbraw/zinc/47/94/37/776479437.db2.gz ZMAUJNFTJIBQCN-SECBINFHSA-N 1 0 282.300 -2.962 20 30 CAEDRO N#CCSCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001154802467 776481813 /nfs/dbraw/zinc/48/18/13/776481813.db2.gz HJAOKAAHOALPPW-UHFFFAOYSA-N 1 0 287.345 -1.466 20 30 CAEDRO C=CCCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973853 776482263 /nfs/dbraw/zinc/48/22/63/776482263.db2.gz JXWJCQPSJWIIHS-NXEZZACHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099969012 776482527 /nfs/dbraw/zinc/48/25/27/776482527.db2.gz FSEYGHGQAPWLAT-CHWSQXEVSA-N 1 0 292.339 -1.017 20 30 CAEDRO C=CCCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973854 776483331 /nfs/dbraw/zinc/48/33/31/776483331.db2.gz JXWJCQPSJWIIHS-UWVGGRQHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCO1 ZINC001154859059 776483383 /nfs/dbraw/zinc/48/33/83/776483383.db2.gz VFQIRMPEXMTGSJ-NSHDSACASA-N 1 0 283.328 -1.753 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001273332805 776483457 /nfs/dbraw/zinc/48/34/57/776483457.db2.gz SJSGPRMZLRVPOE-LBPRGKRZSA-N 1 0 279.340 -1.037 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCO1 ZINC001154878381 776483793 /nfs/dbraw/zinc/48/37/93/776483793.db2.gz JOHBVADSLZUGQN-JTQLQIEISA-N 1 0 284.316 -1.863 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099981975 776487222 /nfs/dbraw/zinc/48/72/22/776487222.db2.gz WHWSNTZSMIAPFE-WDEREUQCSA-N 1 0 279.340 -1.173 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC[C@]1(CO)COCCN1 ZINC000828697445 776487744 /nfs/dbraw/zinc/48/77/44/776487744.db2.gz OOXVIONKOOVDGD-LBPRGKRZSA-N 1 0 257.334 -1.429 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 ZINC001273365229 776494308 /nfs/dbraw/zinc/49/43/08/776494308.db2.gz CYWVKWXOFHHZOW-NEPJUHHUSA-N 1 0 294.355 -1.020 20 30 CAEDRO CO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155236588 776498164 /nfs/dbraw/zinc/49/81/64/776498164.db2.gz XUECEXVRKHMFEC-VIFPVBQESA-N 1 0 256.306 -1.243 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001086184056 776504155 /nfs/dbraw/zinc/50/41/55/776504155.db2.gz FLXNEGRMUONMMO-AEJSXWLSSA-N 1 0 250.302 -1.215 20 30 CAEDRO COC(=O)[C@H]1C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155613096 776505990 /nfs/dbraw/zinc/50/59/90/776505990.db2.gz DVNVDKZNBXWPRC-UWVGGRQHSA-N 1 0 296.327 -1.469 20 30 CAEDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155613097 776506309 /nfs/dbraw/zinc/50/63/09/776506309.db2.gz DVNVDKZNBXWPRC-VHSXEESVSA-N 1 0 296.327 -1.469 20 30 CAEDRO COC(=O)[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155613095 776506373 /nfs/dbraw/zinc/50/63/73/776506373.db2.gz DVNVDKZNBXWPRC-NXEZZACHSA-N 1 0 296.327 -1.469 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074140 776509200 /nfs/dbraw/zinc/50/92/00/776509200.db2.gz JPEXBTXCVRAXMS-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074142 776509930 /nfs/dbraw/zinc/50/99/30/776509930.db2.gz JPEXBTXCVRAXMS-QWHCGFSZSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086493635 776511625 /nfs/dbraw/zinc/51/16/25/776511625.db2.gz QNZIPFHAYDPBBN-GUBZILKMSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC(N)=O ZINC001156030242 776513008 /nfs/dbraw/zinc/51/30/08/776513008.db2.gz YITXTKGYXXQFRY-VIFPVBQESA-N 1 0 268.317 -1.904 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116066 776513430 /nfs/dbraw/zinc/51/34/30/776513430.db2.gz LKQIGESSQDEOGK-ZJUUUORDSA-N 1 0 289.357 -2.280 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116063 776514038 /nfs/dbraw/zinc/51/40/38/776514038.db2.gz LKQIGESSQDEOGK-NXEZZACHSA-N 1 0 289.357 -2.280 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnon1 ZINC001168891861 776517097 /nfs/dbraw/zinc/51/70/97/776517097.db2.gz IYIXPBOKPBZAPJ-SECBINFHSA-N 1 0 279.300 -1.083 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccncn1 ZINC001168804775 776516580 /nfs/dbraw/zinc/51/65/80/776516580.db2.gz LURJGYRLSGXQJY-UHFFFAOYSA-N 1 0 276.300 -1.174 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cnon1 ZINC001168891862 776517171 /nfs/dbraw/zinc/51/71/71/776517171.db2.gz IYIXPBOKPBZAPJ-VIFPVBQESA-N 1 0 279.300 -1.083 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cccnn1 ZINC001168989731 776519605 /nfs/dbraw/zinc/51/96/05/776519605.db2.gz VVIFCCGZFQQGLH-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169110741 776522229 /nfs/dbraw/zinc/52/22/29/776522229.db2.gz QJHFPTVRGXXNOW-UHFFFAOYSA-N 1 0 280.332 -1.191 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C(=O)NCC1CC1 ZINC001169453707 776528593 /nfs/dbraw/zinc/52/85/93/776528593.db2.gz UAPZLPWLCJXZBM-UHFFFAOYSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C(=O)NCC1CC1 ZINC001169453622 776528463 /nfs/dbraw/zinc/52/84/63/776528463.db2.gz PRSGWSVERKEYDV-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCc1nnc[nH]1 ZINC001156328332 776531964 /nfs/dbraw/zinc/53/19/64/776531964.db2.gz OLIVMFAUDACUOM-UHFFFAOYSA-N 1 0 292.343 -1.417 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN(C)S(=O)(=O)CC ZINC001169808892 776537636 /nfs/dbraw/zinc/53/76/36/776537636.db2.gz XCRLDPVVILCNMI-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nonc1C ZINC001169878409 776537738 /nfs/dbraw/zinc/53/77/38/776537738.db2.gz WWHQODCKFWHATG-UHFFFAOYSA-N 1 0 293.327 -1.234 20 30 CAEDRO C#CCN1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569355 776537748 /nfs/dbraw/zinc/53/77/48/776537748.db2.gz FWQOMHCIEHFRQJ-LBPRGKRZSA-N 1 0 292.383 -1.027 20 30 CAEDRO C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566059 776537980 /nfs/dbraw/zinc/53/79/80/776537980.db2.gz DAUSVKWJVQFIIL-JTQLQIEISA-N 1 0 294.355 -1.161 20 30 CAEDRO C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 ZINC001108569359 776538357 /nfs/dbraw/zinc/53/83/57/776538357.db2.gz GBJYEZYVRBCSHP-NSHDSACASA-N 1 0 293.371 -1.137 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108754598 776540795 /nfs/dbraw/zinc/54/07/95/776540795.db2.gz IJNQJIGTQIPVIL-GUBZILKMSA-N 1 0 293.327 -1.919 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108752623 776541218 /nfs/dbraw/zinc/54/12/18/776541218.db2.gz NWCPHODAQYZXOX-DCAQKATOSA-N 1 0 292.339 -1.810 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001156510657 776541664 /nfs/dbraw/zinc/54/16/64/776541664.db2.gz UYXCPLACQOCYGW-NSHDSACASA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001156510656 776541745 /nfs/dbraw/zinc/54/17/45/776541745.db2.gz UYXCPLACQOCYGW-LLVKDONJSA-N 1 0 296.371 -1.089 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001156517419 776544052 /nfs/dbraw/zinc/54/40/52/776544052.db2.gz SYNFWEUFORMUJR-JTQLQIEISA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(N)=O ZINC001109171480 776548469 /nfs/dbraw/zinc/54/84/69/776548469.db2.gz RNCVSGOVRBXNTP-VWYCJHECSA-N 1 0 292.339 -1.667 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156812169 776551203 /nfs/dbraw/zinc/55/12/03/776551203.db2.gz QQXVNWIJWZAPEW-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001156857599 776551893 /nfs/dbraw/zinc/55/18/93/776551893.db2.gz XBTSJCPEAMHCGV-JTQLQIEISA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001156852856 776552519 /nfs/dbraw/zinc/55/25/19/776552519.db2.gz PIOQMZPTDUEPEA-UHFFFAOYSA-N 1 0 293.327 -2.138 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086558273 776567239 /nfs/dbraw/zinc/56/72/39/776567239.db2.gz YWVCXFGBHCKYNM-MGCOHNPYSA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086555293 776567966 /nfs/dbraw/zinc/56/79/66/776567966.db2.gz ZXPHISXTBAXOFL-DCAQKATOSA-N 1 0 285.369 -1.204 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157354776 776573004 /nfs/dbraw/zinc/57/30/04/776573004.db2.gz UDHXVEHIXJMUDG-MRVPVSSYSA-N 1 0 283.288 -2.170 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157361000 776573069 /nfs/dbraw/zinc/57/30/69/776573069.db2.gz VZXIRMNPUBVQFI-SECBINFHSA-N 1 0 282.300 -2.060 20 30 CAEDRO C=CCC[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001113029978 776577206 /nfs/dbraw/zinc/57/72/06/776577206.db2.gz DUZBWFDFOHMDOG-UHFFFAOYSA-N 1 0 296.371 -1.041 20 30 CAEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001170104895 776577296 /nfs/dbraw/zinc/57/72/96/776577296.db2.gz NYOWGTPRUNGKGX-KCUSNBPKSA-N 1 0 261.318 -1.593 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 ZINC001100147539 776577346 /nfs/dbraw/zinc/57/73/46/776577346.db2.gz QEQXNPDCYYCYAP-QWHCGFSZSA-N 1 0 291.355 -1.068 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465120 776578321 /nfs/dbraw/zinc/57/83/21/776578321.db2.gz XJNVUAXBASEYCO-UHFFFAOYSA-N 1 0 253.302 -1.610 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ncn(C)n1 ZINC001157485946 776579382 /nfs/dbraw/zinc/57/93/82/776579382.db2.gz JYPDGGMZRSJPMV-UHFFFAOYSA-N 1 0 278.316 -1.726 20 30 CAEDRO C[NH+](C)CCC(=O)N1CCN(CC(=O)NCC#N)CC1 ZINC001113297514 776582685 /nfs/dbraw/zinc/58/26/85/776582685.db2.gz FRVUCNJJNZSUIO-UHFFFAOYSA-N 1 0 281.360 -1.278 20 30 CAEDRO C#CCC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465376 776583547 /nfs/dbraw/zinc/58/35/47/776583547.db2.gz MFDYCOSLPGMWBT-UHFFFAOYSA-N 1 0 267.329 -1.220 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 ZINC001113631017 776590670 /nfs/dbraw/zinc/59/06/70/776590670.db2.gz SUXLMSGCIVBFDJ-GFCCVEGCSA-N 1 0 293.371 -1.278 20 30 CAEDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001170170966 776596731 /nfs/dbraw/zinc/59/67/31/776596731.db2.gz VUTCYTZESQVRNY-MJYBNVITSA-N 1 0 291.344 -1.824 20 30 CAEDRO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001113787700 776596737 /nfs/dbraw/zinc/59/67/37/776596737.db2.gz RCDDRNXNBSFHOC-IWIIMEHWSA-N 1 0 293.327 -2.191 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C#CC1CC1 ZINC001157705346 776598629 /nfs/dbraw/zinc/59/86/29/776598629.db2.gz XMILAHLNCLABPG-UHFFFAOYSA-N 1 0 280.328 -1.049 20 30 CAEDRO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848520 776602546 /nfs/dbraw/zinc/60/25/46/776602546.db2.gz CMODMVDZDADTFX-IAZYJMLFSA-N 1 0 282.344 -1.096 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848790 776602862 /nfs/dbraw/zinc/60/28/62/776602862.db2.gz FOHTTZPMHNDWEJ-IAZYJMLFSA-N 1 0 280.328 -1.649 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849995 776602901 /nfs/dbraw/zinc/60/29/01/776602901.db2.gz OHMAIHRSXXBTLX-JZYVYDRUSA-N 1 0 250.302 -1.276 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)[nH]1 ZINC001157736642 776603871 /nfs/dbraw/zinc/60/38/71/776603871.db2.gz IYWWBFXRKHPMKD-UHFFFAOYSA-N 1 0 292.343 -1.499 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)NC ZINC001114224549 776618492 /nfs/dbraw/zinc/61/84/92/776618492.db2.gz YMUBMVFPJUQSAU-IAZYJMLFSA-N 1 0 264.329 -1.015 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114271499 776618517 /nfs/dbraw/zinc/61/85/17/776618517.db2.gz WKVSNVYSIXAEHK-IAZYJMLFSA-N 1 0 285.369 -1.395 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287446 776619200 /nfs/dbraw/zinc/61/92/00/776619200.db2.gz LDJSBXBGHYRFBL-PJXYFTJBSA-N 1 0 290.327 -1.631 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001157870018 776620877 /nfs/dbraw/zinc/62/08/77/776620877.db2.gz VQCMGNYRCZQEKE-QWRGUYRKSA-N 1 0 295.339 -1.074 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001157859193 776621076 /nfs/dbraw/zinc/62/10/76/776621076.db2.gz AXPNPUQOUDLSMK-NSHDSACASA-N 1 0 295.339 -1.073 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001157859192 776621143 /nfs/dbraw/zinc/62/11/43/776621143.db2.gz AXPNPUQOUDLSMK-LLVKDONJSA-N 1 0 295.339 -1.073 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129551795 776623148 /nfs/dbraw/zinc/62/31/48/776623148.db2.gz XEVGHXFLXAWXRI-UHFFFAOYSA-N 1 0 292.299 -1.765 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129551092 776623377 /nfs/dbraw/zinc/62/33/77/776623377.db2.gz MINKABCTALFEHU-UHFFFAOYSA-N 1 0 293.327 -1.103 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129551166 776623490 /nfs/dbraw/zinc/62/34/90/776623490.db2.gz NWEIXLFIGICTQN-UHFFFAOYSA-N 1 0 291.311 -1.656 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129574129 776624507 /nfs/dbraw/zinc/62/45/07/776624507.db2.gz VCYHMBPGSJYLMI-UHFFFAOYSA-N 1 0 253.302 -1.426 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129573126 776624778 /nfs/dbraw/zinc/62/47/78/776624778.db2.gz HKLAQMRKQUXLFG-ZJUUUORDSA-N 1 0 293.331 -1.526 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743072 776625626 /nfs/dbraw/zinc/62/56/26/776625626.db2.gz FLMBHCFKGHXULZ-ZETCQYMHSA-N 1 0 296.287 -3.070 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743131 776625959 /nfs/dbraw/zinc/62/59/59/776625959.db2.gz HXHAIJDMTHSSAE-QMMMGPOBSA-N 1 0 297.315 -2.408 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129699325 776626411 /nfs/dbraw/zinc/62/64/11/776626411.db2.gz SHSGJYAUDDEDTP-MNOVXSKESA-N 1 0 290.327 -1.482 20 30 CAEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129681765 776626435 /nfs/dbraw/zinc/62/64/35/776626435.db2.gz YEZOGUQYIMGHIW-NEPJUHHUSA-N 1 0 295.343 -1.186 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001129770579 776627296 /nfs/dbraw/zinc/62/72/96/776627296.db2.gz JISXGLIISJHFIM-RYUDHWBXSA-N 1 0 278.356 -1.322 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001129771309 776627439 /nfs/dbraw/zinc/62/74/39/776627439.db2.gz VIDKGRILYGUWCH-QWRGUYRKSA-N 1 0 266.345 -1.336 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129749858 776627936 /nfs/dbraw/zinc/62/79/36/776627936.db2.gz JSZOJZBCYXGWMX-VIFPVBQESA-N 1 0 284.316 -1.507 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC ZINC001129771124 776628082 /nfs/dbraw/zinc/62/80/82/776628082.db2.gz RTYQJRATLYQPEH-LBPRGKRZSA-N 1 0 280.372 -1.074 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129770741 776628466 /nfs/dbraw/zinc/62/84/66/776628466.db2.gz LLPAAMFFOJWANC-MNOVXSKESA-N 1 0 290.327 -1.611 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129810468 776629527 /nfs/dbraw/zinc/62/95/27/776629527.db2.gz YEEVDIKOWITBCI-WOPDTQHZSA-N 1 0 297.355 -1.366 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129814370 776629623 /nfs/dbraw/zinc/62/96/23/776629623.db2.gz QMUHXOGBHDHMBJ-UHFFFAOYSA-N 1 0 278.312 -1.251 20 30 CAEDRO Cn1cnc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1=O ZINC001129810561 776629712 /nfs/dbraw/zinc/62/97/12/776629712.db2.gz ZXNNJVBRUMRFHA-UHFFFAOYSA-N 1 0 292.299 -2.261 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129870149 776630396 /nfs/dbraw/zinc/63/03/96/776630396.db2.gz AGBQAKPWJIFIEC-CQSZACIVSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129870148 776631360 /nfs/dbraw/zinc/63/13/60/776631360.db2.gz AGBQAKPWJIFIEC-AWEZNQCLSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COc1cc(C)on1 ZINC001129912952 776632628 /nfs/dbraw/zinc/63/26/28/776632628.db2.gz JSTFGIZXMJAMSZ-UHFFFAOYSA-N 1 0 294.311 -1.183 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129935113 776632900 /nfs/dbraw/zinc/63/29/00/776632900.db2.gz FTRZBHTXYYALDQ-VIFPVBQESA-N 1 0 284.360 -1.106 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129927339 776632945 /nfs/dbraw/zinc/63/29/45/776632945.db2.gz PRRZNUOVPWJMLZ-UHFFFAOYSA-N 1 0 268.317 -2.047 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129936239 776632998 /nfs/dbraw/zinc/63/29/98/776632998.db2.gz XROXMKRYCGDXIM-VIFPVBQESA-N 1 0 282.344 -1.658 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129931444 776633793 /nfs/dbraw/zinc/63/37/93/776633793.db2.gz XSJQBOXVQFNPLO-UHFFFAOYSA-N 1 0 270.333 -1.494 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)ncn1C ZINC001129959756 776635756 /nfs/dbraw/zinc/63/57/56/776635756.db2.gz LVDKRQOVDPWQOZ-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO Cc1ncn(C)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129959970 776635870 /nfs/dbraw/zinc/63/58/70/776635870.db2.gz UDARWCKCGVMAAH-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129992688 776637365 /nfs/dbraw/zinc/63/73/65/776637365.db2.gz QAFNKQLVFJPOAY-UHFFFAOYSA-N 1 0 279.300 -1.196 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129998238 776637422 /nfs/dbraw/zinc/63/74/22/776637422.db2.gz WKMFNZYTRBVHSW-VIFPVBQESA-N 1 0 293.327 -1.119 20 30 CAEDRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129995368 776638049 /nfs/dbraw/zinc/63/80/49/776638049.db2.gz MGLNIEYSXLBOPP-UHFFFAOYSA-N 1 0 280.288 -1.617 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129992654 776638078 /nfs/dbraw/zinc/63/80/78/776638078.db2.gz OYACSYAQUBFABL-UHFFFAOYSA-N 1 0 278.272 -1.859 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130031416 776638879 /nfs/dbraw/zinc/63/88/79/776638879.db2.gz MFPSKIZHVWLJPP-SNVBAGLBSA-N 1 0 282.344 -1.337 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041327 776639092 /nfs/dbraw/zinc/63/90/92/776639092.db2.gz JANDXTWLYSRFON-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO CN1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1=O ZINC001130041850 776639533 /nfs/dbraw/zinc/63/95/33/776639533.db2.gz XTKSSWJHSBAPLB-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130037399 776641249 /nfs/dbraw/zinc/64/12/49/776641249.db2.gz LFVQLSVOLLGFTM-GHMZBOCLSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(OCC)n[nH]1 ZINC001130106865 776642273 /nfs/dbraw/zinc/64/22/73/776642273.db2.gz GUUOKODQRBYEMN-UHFFFAOYSA-N 1 0 293.327 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130327154 776649828 /nfs/dbraw/zinc/64/98/28/776649828.db2.gz MWOZMILHSAJCLW-UHFFFAOYSA-N 1 0 289.357 -2.124 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)S(C)(=O)=O ZINC001130324122 776650513 /nfs/dbraw/zinc/65/05/13/776650513.db2.gz RVRUKJVIPMIBCS-QMMMGPOBSA-N 1 0 290.345 -2.235 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130327248 776650520 /nfs/dbraw/zinc/65/05/20/776650520.db2.gz PXQQDJYXYLXGBG-SNVBAGLBSA-N 1 0 276.358 -1.225 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130324292 776650622 /nfs/dbraw/zinc/65/06/22/776650622.db2.gz WURMNKDMDMTUGR-VIFPVBQESA-N 1 0 291.373 -1.573 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130361963 776651871 /nfs/dbraw/zinc/65/18/71/776651871.db2.gz AGADQSMQKHCUKA-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CS(=O)(=O)CCOC ZINC001130335108 776652112 /nfs/dbraw/zinc/65/21/12/776652112.db2.gz IGEDQKSTCZVUFM-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001130362301 776652163 /nfs/dbraw/zinc/65/21/63/776652163.db2.gz NLWLULMDJUXQPI-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130381653 776654831 /nfs/dbraw/zinc/65/48/31/776654831.db2.gz GWUVLXIATSWAKB-UHFFFAOYSA-N 1 0 298.343 -2.406 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130382188 776655102 /nfs/dbraw/zinc/65/51/02/776655102.db2.gz WMDYRKABARIPOH-UHFFFAOYSA-N 1 0 256.306 -1.870 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001130421785 776656593 /nfs/dbraw/zinc/65/65/93/776656593.db2.gz JITGFFLHMNRQOA-UHFFFAOYSA-N 1 0 271.298 -1.120 20 30 CAEDRO C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CO1 ZINC001130503373 776658123 /nfs/dbraw/zinc/65/81/23/776658123.db2.gz HVSJRRFCEYYEQX-VHSXEESVSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001130503129 776658281 /nfs/dbraw/zinc/65/82/81/776658281.db2.gz GEWHMNCBEMYONG-QWRGUYRKSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553489 776658999 /nfs/dbraw/zinc/65/89/99/776658999.db2.gz HOMLKOAJZZERIM-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130588465 776660471 /nfs/dbraw/zinc/66/04/71/776660471.db2.gz VXKRNBVWXIUFDC-UHFFFAOYSA-N 1 0 251.290 -1.689 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130587927 776661085 /nfs/dbraw/zinc/66/10/85/776661085.db2.gz GMWKXYXXLNCKEC-UHFFFAOYSA-N 1 0 281.316 -2.063 20 30 CAEDRO Cn1cnn(CC(=O)NCC[NH2+]CC(=O)NCC#N)c1=O ZINC001130590775 776662335 /nfs/dbraw/zinc/66/23/35/776662335.db2.gz GWBCQDOMTBXMKN-UHFFFAOYSA-N 1 0 295.303 -3.073 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC ZINC001130611406 776662365 /nfs/dbraw/zinc/66/23/65/776662365.db2.gz AQZKSHQASMPQBU-LBPRGKRZSA-N 1 0 296.371 -1.838 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130590725 776662410 /nfs/dbraw/zinc/66/24/10/776662410.db2.gz DVESGPXQNNYNPL-UHFFFAOYSA-N 1 0 296.331 -2.410 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130588659 776662446 /nfs/dbraw/zinc/66/24/46/776662446.db2.gz YORVHKZIYGBLJL-UHFFFAOYSA-N 1 0 283.332 -1.510 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130642787 776663877 /nfs/dbraw/zinc/66/38/77/776663877.db2.gz DBBOFXPPGPHNSA-UHFFFAOYSA-N 1 0 277.271 -1.277 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001130670734 776665911 /nfs/dbraw/zinc/66/59/11/776665911.db2.gz RAACROJXLZLEEC-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705556 776666754 /nfs/dbraw/zinc/66/67/54/776666754.db2.gz GTAUMAQYVHKQGW-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705463 776667041 /nfs/dbraw/zinc/66/70/41/776667041.db2.gz DYAFLIWEBMCMPV-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001130670913 776667487 /nfs/dbraw/zinc/66/74/87/776667487.db2.gz VJYPRFSFPHNWMO-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705465 776667748 /nfs/dbraw/zinc/66/77/48/776667748.db2.gz DYAFLIWEBMCMPV-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130702721 776668233 /nfs/dbraw/zinc/66/82/33/776668233.db2.gz ULNCDSHFLQHDSH-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090492147 776668453 /nfs/dbraw/zinc/66/84/53/776668453.db2.gz CEBVOVAGGXYIDA-DTWKUNHWSA-N 1 0 266.305 -1.439 20 30 CAEDRO CCc1n[nH]cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130724400 776669175 /nfs/dbraw/zinc/66/91/75/776669175.db2.gz OHFQNWUYDWPGEN-UHFFFAOYSA-N 1 0 278.316 -1.069 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130699406 776669345 /nfs/dbraw/zinc/66/93/45/776669345.db2.gz JOSVJULRCOQLBS-SNVBAGLBSA-N 1 0 282.344 -1.479 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130745891 776670080 /nfs/dbraw/zinc/67/00/80/776670080.db2.gz QWJMXOMLDYKNAS-UHFFFAOYSA-N 1 0 250.262 -2.127 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1n[nH]c2c1CCC2 ZINC001130733914 776670995 /nfs/dbraw/zinc/67/09/95/776670995.db2.gz FAZZFPLRFMTPHY-UHFFFAOYSA-N 1 0 289.339 -1.033 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130754183 776671948 /nfs/dbraw/zinc/67/19/48/776671948.db2.gz RTROHNKJYGDXJB-UHFFFAOYSA-N 1 0 252.278 -1.574 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130751613 776672351 /nfs/dbraw/zinc/67/23/51/776672351.db2.gz GLBFCTNDSVOAJI-MRVPVSSYSA-N 1 0 264.289 -1.738 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130751614 776672526 /nfs/dbraw/zinc/67/25/26/776672526.db2.gz GLBFCTNDSVOAJI-QMMMGPOBSA-N 1 0 264.289 -1.738 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130781533 776674099 /nfs/dbraw/zinc/67/40/99/776674099.db2.gz KTRSXPWAXWTNDS-UHFFFAOYSA-N 1 0 297.359 -1.590 20 30 CAEDRO Cc1nnccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130865506 776675512 /nfs/dbraw/zinc/67/55/12/776675512.db2.gz ZNVKZWFREHKVMF-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090496541 776676894 /nfs/dbraw/zinc/67/68/94/776676894.db2.gz QPLBTAQDOHABLP-ZJUUUORDSA-N 1 0 280.332 -1.049 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnnc1C ZINC001130867461 776677068 /nfs/dbraw/zinc/67/70/68/776677068.db2.gz FWUILKIQWLMZDY-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO Cn1cncc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130897093 776677578 /nfs/dbraw/zinc/67/75/78/776677578.db2.gz VVACFKGJMPFNQG-UHFFFAOYSA-N 1 0 264.289 -1.621 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cncn1C ZINC001130901267 776678952 /nfs/dbraw/zinc/67/89/52/776678952.db2.gz TZSLCINOZCVVHY-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCCCNC(N)=O ZINC001130967993 776680046 /nfs/dbraw/zinc/68/00/46/776680046.db2.gz PQRUONDUIOYSDU-UHFFFAOYSA-N 1 0 299.375 -1.167 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131001305 776680056 /nfs/dbraw/zinc/68/00/56/776680056.db2.gz WBHLEJISXHZNOT-NSHDSACASA-N 1 0 288.369 -1.223 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131100160 776683253 /nfs/dbraw/zinc/68/32/53/776683253.db2.gz QHRXWZZQCSGUDO-LLVKDONJSA-N 1 0 294.355 -1.500 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001131050571 776683733 /nfs/dbraw/zinc/68/37/33/776683733.db2.gz NLARZMPSTXAANN-UHFFFAOYSA-N 1 0 278.312 -1.158 20 30 CAEDRO N#C[C@H](Nc1ccnc(N2CC[NH2+]CC2)n1)C(N)=O ZINC001170532141 776683761 /nfs/dbraw/zinc/68/37/61/776683761.db2.gz ZOPUAAPQZPENDD-QMMMGPOBSA-N 1 0 261.289 -1.324 20 30 CAEDRO COc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1C ZINC001131125220 776684847 /nfs/dbraw/zinc/68/48/47/776684847.db2.gz ZELRXINDFVUWHG-UHFFFAOYSA-N 1 0 294.315 -1.612 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)ccc1=O ZINC001131159534 776686758 /nfs/dbraw/zinc/68/67/58/776686758.db2.gz DBKGVKMOYBAIMH-UHFFFAOYSA-N 1 0 290.323 -1.546 20 30 CAEDRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)ncc1=O ZINC001131545390 776693016 /nfs/dbraw/zinc/69/30/16/776693016.db2.gz PSBCMYAGPFACJT-UHFFFAOYSA-N 1 0 292.299 -2.261 20 30 CAEDRO C[C@@H]1CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001131536799 776693633 /nfs/dbraw/zinc/69/36/33/776693633.db2.gz QLRIYUUGBQKIBS-UWVGGRQHSA-N 1 0 268.317 -1.243 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131539863 776694791 /nfs/dbraw/zinc/69/47/91/776694791.db2.gz RHSVDBGTFJGZFV-UHFFFAOYSA-N 1 0 278.312 -1.251 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131671906 776697144 /nfs/dbraw/zinc/69/71/44/776697144.db2.gz FOKJGGYWIJNDMV-JTQLQIEISA-N 1 0 261.285 -1.296 20 30 CAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131629669 776697157 /nfs/dbraw/zinc/69/71/57/776697157.db2.gz VYQOSHBQXBIHEO-BXUZGUMPSA-N 1 0 294.355 -1.020 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131681138 776698612 /nfs/dbraw/zinc/69/86/12/776698612.db2.gz WFQKRYHFOOTLSJ-IINYFYTJSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131675649 776700384 /nfs/dbraw/zinc/70/03/84/776700384.db2.gz BMTBPBQCKUCXDU-CYBMUJFWSA-N 1 0 282.344 -1.479 20 30 CAEDRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CNC(=O)C1 ZINC001131677725 776700705 /nfs/dbraw/zinc/70/07/05/776700705.db2.gz VEPIQBASSXVLQN-GFCCVEGCSA-N 1 0 281.316 -2.142 20 30 CAEDRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CNC(=O)C1 ZINC001131677726 776700965 /nfs/dbraw/zinc/70/09/65/776700965.db2.gz VEPIQBASSXVLQN-LBPRGKRZSA-N 1 0 281.316 -2.142 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131766032 776702612 /nfs/dbraw/zinc/70/26/12/776702612.db2.gz XCAXBFFTAOAEJC-UHFFFAOYSA-N 1 0 295.343 -1.673 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131783189 776703520 /nfs/dbraw/zinc/70/35/20/776703520.db2.gz YYNNAVDKRNORPR-UHFFFAOYSA-N 1 0 293.283 -1.662 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840167 776704238 /nfs/dbraw/zinc/70/42/38/776704238.db2.gz BEVVVVSQHGBFRA-SNVBAGLBSA-N 1 0 295.343 -1.752 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131832018 776705200 /nfs/dbraw/zinc/70/52/00/776705200.db2.gz VYLUGCWWNOUELF-UHFFFAOYSA-N 1 0 264.351 -1.678 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837026 776705461 /nfs/dbraw/zinc/70/54/61/776705461.db2.gz LVGSDDUYSJTWSQ-UHFFFAOYSA-N 1 0 264.351 -1.678 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132320383 776723095 /nfs/dbraw/zinc/72/30/95/776723095.db2.gz BCSAJXCBECAQFA-UHFFFAOYSA-N 1 0 252.318 -1.853 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837144 776707380 /nfs/dbraw/zinc/70/73/80/776707380.db2.gz RBNRMXFZIKVJNN-UHFFFAOYSA-N 1 0 262.335 -2.231 20 30 CAEDRO C=CCCC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131837113 776707744 /nfs/dbraw/zinc/70/77/44/776707744.db2.gz PQXISUJTMZYBJR-UHFFFAOYSA-N 1 0 278.378 -1.288 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001131881039 776707890 /nfs/dbraw/zinc/70/78/90/776707890.db2.gz ODHFGZIJLWMKRP-WCQYABFASA-N 1 0 297.355 -1.507 20 30 CAEDRO COC[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCOC1 ZINC001131898967 776708416 /nfs/dbraw/zinc/70/84/16/776708416.db2.gz PHUPMWVKKWEPPZ-ZDUSSCGKSA-N 1 0 298.343 -1.615 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1coc(OC)n1 ZINC001131920838 776709088 /nfs/dbraw/zinc/70/90/88/776709088.db2.gz KNRDOTYNUJZBLY-UHFFFAOYSA-N 1 0 280.284 -1.248 20 30 CAEDRO CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCOC1 ZINC001131881863 776709574 /nfs/dbraw/zinc/70/95/74/776709574.db2.gz VAZVJMJHYFEGFS-PWSUYJOCSA-N 1 0 298.343 -1.617 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1csnn1 ZINC001131982916 776710710 /nfs/dbraw/zinc/71/07/10/776710710.db2.gz LBNMZQLYYJANFK-MRVPVSSYSA-N 1 0 281.341 -1.005 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCn1ccnc1 ZINC001132079642 776712913 /nfs/dbraw/zinc/71/29/13/776712913.db2.gz FZCWXIXYPUGDDR-UHFFFAOYSA-N 1 0 278.316 -1.381 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnco1 ZINC001132029658 776713225 /nfs/dbraw/zinc/71/32/25/776713225.db2.gz DNSUJXSLJWHPPN-UHFFFAOYSA-N 1 0 251.246 -1.366 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132108148 776713755 /nfs/dbraw/zinc/71/37/55/776713755.db2.gz ACKMGFGZHBHNJH-UHFFFAOYSA-N 1 0 274.288 -1.354 20 30 CAEDRO C#CC[NH2+]CCNC(=O)Cn1nc2ccccn2c1=O ZINC001132132590 776714006 /nfs/dbraw/zinc/71/40/06/776714006.db2.gz MQYORCZXNZZOJG-UHFFFAOYSA-N 1 0 273.296 -1.165 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132219329 776715560 /nfs/dbraw/zinc/71/55/60/776715560.db2.gz FVDGNEIERGHBJB-SECBINFHSA-N 1 0 278.316 -1.430 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1C ZINC001132142865 776715690 /nfs/dbraw/zinc/71/56/90/776715690.db2.gz CDFGRJIGQLBTGN-UHFFFAOYSA-N 1 0 263.301 -1.213 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132219330 776715741 /nfs/dbraw/zinc/71/57/41/776715741.db2.gz FVDGNEIERGHBJB-VIFPVBQESA-N 1 0 278.316 -1.430 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132256482 776718144 /nfs/dbraw/zinc/71/81/44/776718144.db2.gz BLNDYCKPKIACRI-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO COc1nn(C)cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132280208 776719327 /nfs/dbraw/zinc/71/93/27/776719327.db2.gz BQASNFLTMPHDFX-UHFFFAOYSA-N 1 0 294.315 -1.612 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132316774 776721162 /nfs/dbraw/zinc/72/11/62/776721162.db2.gz QVRYULDFWAFYBG-UHFFFAOYSA-N 1 0 274.752 -1.124 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132317499 776721309 /nfs/dbraw/zinc/72/13/09/776721309.db2.gz GCPCBBCGRLNQSI-UHFFFAOYSA-N 1 0 254.334 -1.300 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337250 776723271 /nfs/dbraw/zinc/72/32/71/776723271.db2.gz IGUHACWFBNQEFX-NXEZZACHSA-N 1 0 282.344 -1.494 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132338612 776724405 /nfs/dbraw/zinc/72/44/05/776724405.db2.gz VFZCXCSJVUGQCE-VHSXEESVSA-N 1 0 284.360 -1.106 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132344861 776725970 /nfs/dbraw/zinc/72/59/70/776725970.db2.gz LBKAPUVXPWRRDB-SNVBAGLBSA-N 1 0 255.318 -1.147 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)CC(N)=O)C1=O ZINC001132345329 776726184 /nfs/dbraw/zinc/72/61/84/776726184.db2.gz OXHVJAXXENYNTN-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132349652 776728097 /nfs/dbraw/zinc/72/80/97/776728097.db2.gz KRLMPIUIBDJXBJ-SECBINFHSA-N 1 0 270.333 -1.494 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132349442 776728395 /nfs/dbraw/zinc/72/83/95/776728395.db2.gz FUURJBTZHSWXBJ-MRVPVSSYSA-N 1 0 269.305 -2.157 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132358638 776729538 /nfs/dbraw/zinc/72/95/38/776729538.db2.gz GQTBGIAPKOWVTL-VIFPVBQESA-N 1 0 266.301 -2.422 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132358799 776730138 /nfs/dbraw/zinc/73/01/38/776730138.db2.gz HUKOUFBRYMUDRP-QWRGUYRKSA-N 1 0 294.355 -1.385 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132356319 776729827 /nfs/dbraw/zinc/72/98/27/776729827.db2.gz VROXTBLOIRACEB-QMMMGPOBSA-N 1 0 267.289 -2.532 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387632 776732723 /nfs/dbraw/zinc/73/27/23/776732723.db2.gz WXOWVFUOGZERSH-JTQLQIEISA-N 1 0 270.333 -1.082 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376929 776734848 /nfs/dbraw/zinc/73/48/48/776734848.db2.gz SFZKPUWVPYRMDJ-UWVGGRQHSA-N 1 0 280.328 -2.034 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376932 776735070 /nfs/dbraw/zinc/73/50/70/776735070.db2.gz SFZKPUWVPYRMDJ-ZJUUUORDSA-N 1 0 280.328 -2.034 20 30 CAEDRO C=CC(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001132403685 776738416 /nfs/dbraw/zinc/73/84/16/776738416.db2.gz AKNRNJRWUJJNEK-UHFFFAOYSA-N 1 0 296.371 -1.137 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402056 776739130 /nfs/dbraw/zinc/73/91/30/776739130.db2.gz KKCLPLXPXSLVQX-VHSXEESVSA-N 1 0 297.359 -1.594 20 30 CAEDRO Cn1nnc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001132523570 776739484 /nfs/dbraw/zinc/73/94/84/776739484.db2.gz OUNZAQMJBXINQO-UHFFFAOYSA-N 1 0 266.265 -2.831 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519869 776740714 /nfs/dbraw/zinc/74/07/14/776740714.db2.gz PILCPNRBIXXYPX-QWRGUYRKSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519897 776740740 /nfs/dbraw/zinc/74/07/40/776740740.db2.gz QCXGROVNUIAAKC-JTQLQIEISA-N 1 0 280.328 -1.938 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132523660 776741562 /nfs/dbraw/zinc/74/15/62/776741562.db2.gz SNTSYLCCGGDGBA-UHFFFAOYSA-N 1 0 265.277 -2.721 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2nnn(C)n2)C1=O ZINC001132527246 776743622 /nfs/dbraw/zinc/74/36/22/776743622.db2.gz RXVDESLXLPUGDS-VIFPVBQESA-N 1 0 293.331 -1.684 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)cnn1C ZINC001132548743 776744561 /nfs/dbraw/zinc/74/45/61/776744561.db2.gz SDLRFRNOHSTZEM-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO Cc1cnn(C)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132549158 776745105 /nfs/dbraw/zinc/74/51/05/776745105.db2.gz XPHKUCWJKCPXLE-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132623877 776745795 /nfs/dbraw/zinc/74/57/95/776745795.db2.gz IMVPLLYHAIARQW-QWRGUYRKSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132616126 776745989 /nfs/dbraw/zinc/74/59/89/776745989.db2.gz JKEQLHWBYRAGDS-WYUUTHIRSA-N 1 0 279.340 -1.278 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132623878 776746249 /nfs/dbraw/zinc/74/62/49/776746249.db2.gz IMVPLLYHAIARQW-WDEREUQCSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)nc[nH]c1=O ZINC001132706497 776747387 /nfs/dbraw/zinc/74/73/87/776747387.db2.gz KMTVSAGRVHLIOD-UHFFFAOYSA-N 1 0 291.311 -1.441 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1csc(=O)[nH]1 ZINC001132643929 776747401 /nfs/dbraw/zinc/74/74/01/776747401.db2.gz NXJONYVEUUXETN-UHFFFAOYSA-N 1 0 282.325 -1.083 20 30 CAEDRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCC(=O)NC1 ZINC001132715007 776747670 /nfs/dbraw/zinc/74/76/70/776747670.db2.gz DDWTUZVTMYOZPK-CYBMUJFWSA-N 1 0 295.343 -1.752 20 30 CAEDRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1=O ZINC001132609153 776748117 /nfs/dbraw/zinc/74/81/17/776748117.db2.gz RJHHJWNXFIAAIW-SECBINFHSA-N 1 0 281.316 -2.190 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCCCC(N)=O ZINC001170626134 776748602 /nfs/dbraw/zinc/74/86/02/776748602.db2.gz IZWWSFSYEAFVDV-UHFFFAOYSA-N 1 0 297.359 -1.232 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762202 776751464 /nfs/dbraw/zinc/75/14/64/776751464.db2.gz IORQNMOOFVORCY-SNVBAGLBSA-N 1 0 282.344 -1.385 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(F)CCOC1 ZINC001132863959 776752219 /nfs/dbraw/zinc/75/22/19/776752219.db2.gz QEHSJYJMEWKYJA-NSHDSACASA-N 1 0 272.280 -1.539 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132961054 776754775 /nfs/dbraw/zinc/75/47/75/776754775.db2.gz GOXIITGDVQZPFD-UHFFFAOYSA-N 1 0 293.327 -1.746 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009383 776756539 /nfs/dbraw/zinc/75/65/39/776756539.db2.gz CRFWQHQDMQVOMN-UHFFFAOYSA-N 1 0 277.284 -2.161 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013924 776757586 /nfs/dbraw/zinc/75/75/86/776757586.db2.gz ZZXYRVYPQDECPY-UHFFFAOYSA-N 1 0 279.300 -1.609 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013318 776757875 /nfs/dbraw/zinc/75/78/75/776757875.db2.gz DKKKABAEBHGPAV-SECBINFHSA-N 1 0 291.311 -1.773 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133082374 776758779 /nfs/dbraw/zinc/75/87/79/776758779.db2.gz FWSCLBIRWIGJJH-WDEREUQCSA-N 1 0 296.371 -1.152 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111736 776759159 /nfs/dbraw/zinc/75/91/59/776759159.db2.gz MUOTWPVLZBWQBY-QMMMGPOBSA-N 1 0 267.289 -2.877 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111735 776759203 /nfs/dbraw/zinc/75/92/03/776759203.db2.gz MUOTWPVLZBWQBY-MRVPVSSYSA-N 1 0 267.289 -2.877 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115270 776761845 /nfs/dbraw/zinc/76/18/45/776761845.db2.gz JIXGCHMAVKFWEZ-SECBINFHSA-N 1 0 254.290 -1.977 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122127 776764345 /nfs/dbraw/zinc/76/43/45/776764345.db2.gz RQORWYYNTPLVCV-IUCAKERBSA-N 1 0 283.332 -1.936 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122126 776764571 /nfs/dbraw/zinc/76/45/71/776764571.db2.gz RQORWYYNTPLVCV-DTWKUNHWSA-N 1 0 283.332 -1.936 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133128419 776764589 /nfs/dbraw/zinc/76/45/89/776764589.db2.gz DESDNCPLUBLLMU-ZETCQYMHSA-N 1 0 268.277 -2.987 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133129396 776766112 /nfs/dbraw/zinc/76/61/12/776766112.db2.gz XWKPVQJXLJKZKK-QMMMGPOBSA-N 1 0 269.305 -2.324 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188849 776768746 /nfs/dbraw/zinc/76/87/46/776768746.db2.gz BNAIBXNETDELPO-VIFPVBQESA-N 1 0 282.344 -1.352 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(N)=O ZINC001133203995 776772247 /nfs/dbraw/zinc/77/22/47/776772247.db2.gz YJZUHNIFYYCMBV-SSDOTTSWSA-N 1 0 285.304 -2.422 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(N)=O ZINC001133203997 776772843 /nfs/dbraw/zinc/77/28/43/776772843.db2.gz YJZUHNIFYYCMBV-ZETCQYMHSA-N 1 0 285.304 -2.422 20 30 CAEDRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]c1=O ZINC001133332573 776776198 /nfs/dbraw/zinc/77/61/98/776776198.db2.gz OZVGXJFCPBOATE-UHFFFAOYSA-N 1 0 280.288 -1.915 20 30 CAEDRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCC(=O)N1 ZINC001133467921 776777494 /nfs/dbraw/zinc/77/74/94/776777494.db2.gz SXJYZSIYOITJAG-LBPRGKRZSA-N 1 0 281.316 -1.999 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351047 776778392 /nfs/dbraw/zinc/77/83/92/776778392.db2.gz PTVSPVIWFLLMIA-SECBINFHSA-N 1 0 293.327 -1.417 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133513185 776779458 /nfs/dbraw/zinc/77/94/58/776779458.db2.gz MYLNEVXCKQZUTK-MNOVXSKESA-N 1 0 285.344 -1.509 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133513187 776779479 /nfs/dbraw/zinc/77/94/79/776779479.db2.gz MYLNEVXCKQZUTK-WDEREUQCSA-N 1 0 285.344 -1.509 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133513186 776779595 /nfs/dbraw/zinc/77/95/95/776779595.db2.gz MYLNEVXCKQZUTK-QWRGUYRKSA-N 1 0 285.344 -1.509 20 30 CAEDRO C=CC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133615977 776782180 /nfs/dbraw/zinc/78/21/80/776782180.db2.gz JGAAUOZBNFKJKR-UHFFFAOYSA-N 1 0 273.318 -1.438 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619804 776782350 /nfs/dbraw/zinc/78/23/50/776782350.db2.gz MMHBCJTUQPSFRF-VHSXEESVSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133617068 776782563 /nfs/dbraw/zinc/78/25/63/776782563.db2.gz VZRYJKUUULOIHK-UHFFFAOYSA-N 1 0 271.302 -1.990 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133663436 776783224 /nfs/dbraw/zinc/78/32/24/776783224.db2.gz YRLJQPNFGUADDA-UWVGGRQHSA-N 1 0 299.375 -1.170 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621688 776783333 /nfs/dbraw/zinc/78/33/33/776783333.db2.gz MWHXPFYOCDIYGB-UHFFFAOYSA-N 1 0 287.345 -1.047 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133621659 776783607 /nfs/dbraw/zinc/78/36/07/776783607.db2.gz LTXQFIBXLNIRKF-UHFFFAOYSA-N 1 0 290.323 -1.546 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133663438 776783620 /nfs/dbraw/zinc/78/36/20/776783620.db2.gz YRLJQPNFGUADDA-VHSXEESVSA-N 1 0 299.375 -1.170 20 30 CAEDRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCNC1=O ZINC001133753945 776785431 /nfs/dbraw/zinc/78/54/31/776785431.db2.gz OGLZANFRSJAVLL-LBPRGKRZSA-N 1 0 281.316 -2.142 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754538 776786009 /nfs/dbraw/zinc/78/60/09/776786009.db2.gz VCSOMQVZYRRPRM-HZMBPMFUSA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133762738 776786890 /nfs/dbraw/zinc/78/68/90/776786890.db2.gz GQTXUCLGACULLA-CYBMUJFWSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133908368 776792146 /nfs/dbraw/zinc/79/21/46/776792146.db2.gz OGYGUCHCKXMMKD-VWYCJHECSA-N 1 0 294.355 -1.400 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133908367 776793025 /nfs/dbraw/zinc/79/30/25/776793025.db2.gz OGYGUCHCKXMMKD-OUAUKWLOSA-N 1 0 294.355 -1.400 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921096 776794001 /nfs/dbraw/zinc/79/40/01/776794001.db2.gz AURIFMZVMDSDEY-WDEREUQCSA-N 1 0 294.355 -1.834 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133951325 776795907 /nfs/dbraw/zinc/79/59/07/776795907.db2.gz UMYRDNWQUNKONU-UHFFFAOYSA-N 1 0 293.327 -1.265 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932461 776796434 /nfs/dbraw/zinc/79/64/34/776796434.db2.gz ZBLBRBVLILYTQS-MNOVXSKESA-N 1 0 296.371 -1.104 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133944048 776797154 /nfs/dbraw/zinc/79/71/54/776797154.db2.gz ZQIISBASMGMLCG-SFYZADRCSA-N 1 0 267.289 -2.547 20 30 CAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC(N)=O ZINC001134021571 776800192 /nfs/dbraw/zinc/80/01/92/776800192.db2.gz CLLYDQLNCQYTTN-DTWKUNHWSA-N 1 0 283.332 -1.626 20 30 CAEDRO C[C@H](C[C@H](C)NC(=O)CC(N)=O)[NH2+]CC(=O)NCC#N ZINC001134021570 776800458 /nfs/dbraw/zinc/80/04/58/776800458.db2.gz CLLYDQLNCQYTTN-BDAKNGLRSA-N 1 0 283.332 -1.626 20 30 CAEDRO Cc1ccn(CC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001134002202 776800577 /nfs/dbraw/zinc/80/05/77/776800577.db2.gz NZTLMCLFIZIRMJ-UHFFFAOYSA-N 1 0 278.316 -1.463 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134036756 776801255 /nfs/dbraw/zinc/80/12/55/776801255.db2.gz HDTRHXUUNCUCLY-SNVBAGLBSA-N 1 0 292.343 -1.419 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134022882 776801876 /nfs/dbraw/zinc/80/18/76/776801876.db2.gz WMVGOUBWUVXLOK-NXEZZACHSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170717928 776802267 /nfs/dbraw/zinc/80/22/67/776802267.db2.gz ZLDOSPCIMUDBDB-UHFFFAOYSA-N 1 0 278.316 -1.808 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134036755 776803025 /nfs/dbraw/zinc/80/30/25/776803025.db2.gz HDTRHXUUNCUCLY-JTQLQIEISA-N 1 0 292.343 -1.419 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001134062262 776803622 /nfs/dbraw/zinc/80/36/22/776803622.db2.gz UZSAOXJCDIOZEX-ZJUUUORDSA-N 1 0 298.343 -1.261 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134109813 776803692 /nfs/dbraw/zinc/80/36/92/776803692.db2.gz GUMCNWWFYBJQEV-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099655 776804111 /nfs/dbraw/zinc/80/41/11/776804111.db2.gz USTNDKZHZAZYKI-SNVBAGLBSA-N 1 0 262.317 -1.035 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001134130434 776805747 /nfs/dbraw/zinc/80/57/47/776805747.db2.gz HNKSPNSCDVFXCF-NXEZZACHSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCO ZINC001134130700 776805836 /nfs/dbraw/zinc/80/58/36/776805836.db2.gz LJQJBJHFZZKEJG-QWRGUYRKSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001134130436 776805939 /nfs/dbraw/zinc/80/59/39/776805939.db2.gz HNKSPNSCDVFXCF-VHSXEESVSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001134131332 776806076 /nfs/dbraw/zinc/80/60/76/776806076.db2.gz VABUZCBQMUJZHX-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134111498 776806101 /nfs/dbraw/zinc/80/61/01/776806101.db2.gz WJARWPUJGNCFHQ-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001134130437 776806146 /nfs/dbraw/zinc/80/61/46/776806146.db2.gz HNKSPNSCDVFXCF-ZJUUUORDSA-N 1 0 282.344 -1.516 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCC(=O)N1 ZINC001134110946 776806557 /nfs/dbraw/zinc/80/65/57/776806557.db2.gz OUXAXOAMLKYAHF-NXEZZACHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCC(=O)N1 ZINC001134110947 776807224 /nfs/dbraw/zinc/80/72/24/776807224.db2.gz OUXAXOAMLKYAHF-UWVGGRQHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCO ZINC001134130699 776807319 /nfs/dbraw/zinc/80/73/19/776807319.db2.gz LJQJBJHFZZKEJG-MNOVXSKESA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134168895 776808198 /nfs/dbraw/zinc/80/81/98/776808198.db2.gz XLVBCKVRTJNYMP-NSHDSACASA-N 1 0 282.344 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134168248 776808316 /nfs/dbraw/zinc/80/83/16/776808316.db2.gz MLGNIBKMWRARPX-LLVKDONJSA-N 1 0 284.360 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)NC ZINC001134167144 776808697 /nfs/dbraw/zinc/80/86/97/776808697.db2.gz DHQQXMHDXPCDJU-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134178349 776810482 /nfs/dbraw/zinc/81/04/82/776810482.db2.gz KYBXXQURBVBXMJ-JQWIXIFHSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134178355 776810872 /nfs/dbraw/zinc/81/08/72/776810872.db2.gz KYBXXQURBVBXMJ-ZYHUDNBSSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134397169 776813663 /nfs/dbraw/zinc/81/36/63/776813663.db2.gz KOLAGTJRYQNAKQ-SNVBAGLBSA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398607 776814165 /nfs/dbraw/zinc/81/41/65/776814165.db2.gz DFMQHURSZRSFMU-UWVGGRQHSA-N 1 0 292.343 -1.117 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455595 776815202 /nfs/dbraw/zinc/81/52/02/776815202.db2.gz IQUXFCDPXVNOSD-VIFPVBQESA-N 1 0 284.316 -1.507 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1cc(Cl)cn1 ZINC001134473745 776817283 /nfs/dbraw/zinc/81/72/83/776817283.db2.gz GYBXAGHTTYSJNU-UHFFFAOYSA-N 1 0 298.734 -1.118 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134486811 776817488 /nfs/dbraw/zinc/81/74/88/776817488.db2.gz ALHLAWVOOAJKDM-UHFFFAOYSA-N 1 0 278.378 -1.336 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460563 776818574 /nfs/dbraw/zinc/81/85/74/776818574.db2.gz DFAKLEPKSOLCLG-ZETCQYMHSA-N 1 0 296.287 -3.070 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cc(Cl)cn1 ZINC001134477645 776818647 /nfs/dbraw/zinc/81/86/47/776818647.db2.gz NKWLPLKSFBWICI-UHFFFAOYSA-N 1 0 297.746 -1.008 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491232 776820448 /nfs/dbraw/zinc/82/04/48/776820448.db2.gz RPEUSHCULUFUIG-UHFFFAOYSA-N 1 0 278.378 -1.336 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134667397 776823389 /nfs/dbraw/zinc/82/33/89/776823389.db2.gz JFSKRDGSQQUGFA-UHFFFAOYSA-N 1 0 278.312 -1.573 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134641301 776823448 /nfs/dbraw/zinc/82/34/48/776823448.db2.gz UITRSEMVYLOXDL-LLVKDONJSA-N 1 0 298.343 -1.615 20 30 CAEDRO COCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134659386 776824429 /nfs/dbraw/zinc/82/44/29/776824429.db2.gz AMBCBIDJIZHJIC-SNVBAGLBSA-N 1 0 286.332 -1.617 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714195 776824915 /nfs/dbraw/zinc/82/49/15/776824915.db2.gz DABVDKQMUWJLLY-UHFFFAOYSA-N 1 0 266.257 -2.254 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O ZINC001134665429 776825134 /nfs/dbraw/zinc/82/51/34/776825134.db2.gz MEHWSQIBXYMEOX-UHFFFAOYSA-N 1 0 288.311 -1.380 20 30 CAEDRO C=CC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665946 776825229 /nfs/dbraw/zinc/82/52/29/776825229.db2.gz WDGRFPWSENBRCW-UHFFFAOYSA-N 1 0 266.301 -1.411 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134696678 776825576 /nfs/dbraw/zinc/82/55/76/776825576.db2.gz HSILAQLNAXZCHJ-UHFFFAOYSA-N 1 0 282.300 -1.311 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134664909 776825645 /nfs/dbraw/zinc/82/56/45/776825645.db2.gz DUYCWCRRTPKULN-UHFFFAOYSA-N 1 0 278.312 -1.573 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714434 776825846 /nfs/dbraw/zinc/82/58/46/776825846.db2.gz QPRKYDXBFBENNL-UHFFFAOYSA-N 1 0 268.273 -1.701 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134696933 776825895 /nfs/dbraw/zinc/82/58/95/776825895.db2.gz SFRBNGNIYAEJER-UHFFFAOYSA-N 1 0 282.300 -1.311 20 30 CAEDRO CCn1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001134769792 776827251 /nfs/dbraw/zinc/82/72/51/776827251.db2.gz NYUJNTCTTPBFBR-UHFFFAOYSA-N 1 0 278.316 -1.138 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770952 776827275 /nfs/dbraw/zinc/82/72/75/776827275.db2.gz VJMIFCOVCBKORJ-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]n1 ZINC001134842467 776828625 /nfs/dbraw/zinc/82/86/25/776828625.db2.gz BSUAUGIQZBOQSV-IUCAKERBSA-N 1 0 293.331 -1.069 20 30 CAEDRO C#CC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829625 776828687 /nfs/dbraw/zinc/82/86/87/776828687.db2.gz MFGOWGGPQLEQNR-VIFPVBQESA-N 1 0 254.290 -2.295 20 30 CAEDRO CN(C)C(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134939196 776832826 /nfs/dbraw/zinc/83/28/26/776832826.db2.gz RTXWWOSLPYQUFP-UHFFFAOYSA-N 1 0 269.305 -2.190 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134936581 776833046 /nfs/dbraw/zinc/83/30/46/776833046.db2.gz YDXBICIJHLGPMS-SNVBAGLBSA-N 1 0 284.360 -1.139 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC)nn1 ZINC001134973468 776833188 /nfs/dbraw/zinc/83/31/88/776833188.db2.gz TTWYUMISSWXHLK-SECBINFHSA-N 1 0 280.332 -1.082 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)nn1 ZINC001134970221 776834028 /nfs/dbraw/zinc/83/40/28/776834028.db2.gz QRLAWIYWTNLAEV-UHFFFAOYSA-N 1 0 295.303 -2.022 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NC)nn1 ZINC001134970419 776834366 /nfs/dbraw/zinc/83/43/66/776834366.db2.gz WFWNGZUZRIFLKE-UHFFFAOYSA-N 1 0 266.305 -1.471 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@@H](O)COC)nn1 ZINC001134969825 776834405 /nfs/dbraw/zinc/83/44/05/776834405.db2.gz KZLDYCHKEIVKGA-SNVBAGLBSA-N 1 0 283.332 -1.209 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H](C)C(N)=O)nn1 ZINC001134970524 776834627 /nfs/dbraw/zinc/83/46/27/776834627.db2.gz XMLBMSXOPKWENT-MRVPVSSYSA-N 1 0 266.305 -1.343 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159355532 776834650 /nfs/dbraw/zinc/83/46/50/776834650.db2.gz GJGIQDHWXOPJOH-JTQLQIEISA-N 1 0 297.359 -1.851 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159355533 776834798 /nfs/dbraw/zinc/83/47/98/776834798.db2.gz GJGIQDHWXOPJOH-SNVBAGLBSA-N 1 0 297.359 -1.851 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135055488 776834832 /nfs/dbraw/zinc/83/48/32/776834832.db2.gz UIBMXBAPVBRZKM-UHFFFAOYSA-N 1 0 263.301 -1.213 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](C)C(N)=O)nn1 ZINC001134970526 776834980 /nfs/dbraw/zinc/83/49/80/776834980.db2.gz XMLBMSXOPKWENT-QMMMGPOBSA-N 1 0 266.305 -1.343 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(N)=O)nn1 ZINC001134970013 776834992 /nfs/dbraw/zinc/83/49/92/776834992.db2.gz NZAGTWQJUDJQMJ-UHFFFAOYSA-N 1 0 252.278 -1.731 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]c1 ZINC001135045681 776835337 /nfs/dbraw/zinc/83/53/37/776835337.db2.gz JPONBLWMMLPHMY-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135115154 776836598 /nfs/dbraw/zinc/83/65/98/776836598.db2.gz VCJVJUAPODKGRO-UHFFFAOYSA-N 1 0 292.343 -1.092 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125737 776836631 /nfs/dbraw/zinc/83/66/31/776836631.db2.gz IZHXRXHBDPNNPD-VIFPVBQESA-N 1 0 259.331 -1.641 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135134861 776838625 /nfs/dbraw/zinc/83/86/25/776838625.db2.gz DSZMAUDJSALZSC-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001283771019 777916324 /nfs/dbraw/zinc/91/63/24/777916324.db2.gz NAKBXYVREPBNRF-LBPRGKRZSA-N 1 0 296.371 -2.150 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001283772974 777916336 /nfs/dbraw/zinc/91/63/36/777916336.db2.gz VDNUOWMNBNIWAE-NXEZZACHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001283771925 777916459 /nfs/dbraw/zinc/91/64/59/777916459.db2.gz KUNWIVSQRLVGAB-SECBINFHSA-N 1 0 250.258 -1.504 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccn(CCOC)n1 ZINC001283783655 777916622 /nfs/dbraw/zinc/91/66/22/777916622.db2.gz ZVIOJDANDXCMBW-LLVKDONJSA-N 1 0 280.328 -1.157 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001283781229 777916635 /nfs/dbraw/zinc/91/66/35/777916635.db2.gz AWWRGHNHNDERHB-QWRGUYRKSA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001283783766 777916658 /nfs/dbraw/zinc/91/66/58/777916658.db2.gz JEHJPSDPUNGYJB-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001283772659 777916979 /nfs/dbraw/zinc/91/69/79/777916979.db2.gz ZUPJLEOZOBMZOL-JTQLQIEISA-N 1 0 294.311 -1.961 20 30 CAEDRO C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001283793778 777917921 /nfs/dbraw/zinc/91/79/21/777917921.db2.gz WTYZQSWRAXROKJ-VXGBXAGGSA-N 1 0 296.371 -2.103 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001283783763 777918137 /nfs/dbraw/zinc/91/81/37/777918137.db2.gz JEHJPSDPUNGYJB-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001283790446 777918274 /nfs/dbraw/zinc/91/82/74/777918274.db2.gz AHVBMPVNFPCRNB-NXEZZACHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001283791404 777918350 /nfs/dbraw/zinc/91/83/50/777918350.db2.gz GJPMILXCVFRAPN-QMMMGPOBSA-N 1 0 254.290 -1.008 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283790982 777918384 /nfs/dbraw/zinc/91/83/84/777918384.db2.gz DHILXUPTPGVEHI-MRVPVSSYSA-N 1 0 252.278 -2.086 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001283823647 777920425 /nfs/dbraw/zinc/92/04/25/777920425.db2.gz IXDNMLBDGNDAPX-ZJUUUORDSA-N 1 0 298.343 -2.366 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001283813775 777920535 /nfs/dbraw/zinc/92/05/35/777920535.db2.gz CGFFYVSSSYNLTI-RISCZKNCSA-N 1 0 297.355 -1.771 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O)nn1 ZINC001283813790 777920549 /nfs/dbraw/zinc/92/05/49/777920549.db2.gz QFJVRLSJZFNIET-IUCAKERBSA-N 1 0 296.331 -1.982 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCOC1 ZINC001283813772 777920693 /nfs/dbraw/zinc/92/06/93/777920693.db2.gz CGFFYVSSSYNLTI-FZMZJTMJSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC001283818990 777920860 /nfs/dbraw/zinc/92/08/60/777920860.db2.gz SKNSCKYSLCKTSM-JTQLQIEISA-N 1 0 290.385 -1.100 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O)nn1 ZINC001283813789 777920985 /nfs/dbraw/zinc/92/09/85/777920985.db2.gz QFJVRLSJZFNIET-DTWKUNHWSA-N 1 0 296.331 -1.982 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001283817466 777921142 /nfs/dbraw/zinc/92/11/42/777921142.db2.gz UIAMRNBZCMLCRJ-VIFPVBQESA-N 1 0 251.290 -1.481 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nc(C)c[nH]1 ZINC001283812216 777921265 /nfs/dbraw/zinc/92/12/65/777921265.db2.gz FPLCYVYSTXMGLE-JTQLQIEISA-N 1 0 295.343 -1.299 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001283815973 777921304 /nfs/dbraw/zinc/92/13/04/777921304.db2.gz NKAFEXKQBSKUPV-VIFPVBQESA-N 1 0 254.294 -1.684 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1nccs1 ZINC001283815141 777921370 /nfs/dbraw/zinc/92/13/70/777921370.db2.gz KPQVJIVSQSQARL-SECBINFHSA-N 1 0 296.352 -1.427 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cn1ccccc1=O ZINC001283826994 777922024 /nfs/dbraw/zinc/92/20/24/777922024.db2.gz FSWWKGOVSYUCDB-GFCCVEGCSA-N 1 0 277.324 -1.062 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccnc1C(N)=O ZINC001283831895 777922468 /nfs/dbraw/zinc/92/24/68/777922468.db2.gz PDHHVSKRYVDXLR-JTQLQIEISA-N 1 0 290.323 -1.116 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001283831894 777922586 /nfs/dbraw/zinc/92/25/86/777922586.db2.gz PADVONRXVOEPKJ-WDEREUQCSA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001283827642 777922684 /nfs/dbraw/zinc/92/26/84/777922684.db2.gz PCDIIBYSUKRIIB-JTQLQIEISA-N 1 0 251.290 -1.632 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]cnc1C ZINC001283842302 777924112 /nfs/dbraw/zinc/92/41/12/777924112.db2.gz OTRNECDNZOWKCB-SNVBAGLBSA-N 1 0 293.327 -1.852 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001283938394 777925360 /nfs/dbraw/zinc/92/53/60/777925360.db2.gz HPOIYVRTKBNGRH-VHSXEESVSA-N 1 0 273.358 -1.252 20 30 CAEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1nc[nH]n1 ZINC001284015408 777926261 /nfs/dbraw/zinc/92/62/61/777926261.db2.gz RWVMLCAUKQAUPM-DTWKUNHWSA-N 1 0 291.315 -1.363 20 30 CAEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1nc[nH]n1 ZINC001284015409 777926630 /nfs/dbraw/zinc/92/66/30/777926630.db2.gz RWVMLCAUKQAUPM-IUCAKERBSA-N 1 0 291.315 -1.363 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001284326346 777936371 /nfs/dbraw/zinc/93/63/71/777936371.db2.gz PJVRWMUIQOLADC-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001284415961 777939138 /nfs/dbraw/zinc/93/91/38/777939138.db2.gz IPUHYKHECIFDEJ-JTQLQIEISA-N 1 0 272.349 -1.100 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001284415962 777939399 /nfs/dbraw/zinc/93/93/99/777939399.db2.gz IPUHYKHECIFDEJ-SNVBAGLBSA-N 1 0 272.349 -1.100 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001284414978 777939539 /nfs/dbraw/zinc/93/95/39/777939539.db2.gz AKLGPZOHDZOQPR-IUCAKERBSA-N 1 0 282.300 -2.373 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC ZINC001284402642 777939708 /nfs/dbraw/zinc/93/97/08/777939708.db2.gz RGWGPJOVABJSOJ-GXFFZTMASA-N 1 0 287.360 -1.532 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC ZINC001284402640 777939968 /nfs/dbraw/zinc/93/99/68/777939968.db2.gz RGWGPJOVABJSOJ-GWCFXTLKSA-N 1 0 287.360 -1.532 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001284405389 777940066 /nfs/dbraw/zinc/94/00/66/777940066.db2.gz UPYCIVZYSNZUPV-NXEZZACHSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001284415623 777940131 /nfs/dbraw/zinc/94/01/31/777940131.db2.gz DDUAXXIEOAEHPL-UWVGGRQHSA-N 1 0 271.317 -2.081 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001284415620 777940151 /nfs/dbraw/zinc/94/01/51/777940151.db2.gz DDUAXXIEOAEHPL-NXEZZACHSA-N 1 0 271.317 -2.081 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC ZINC001284402645 777940160 /nfs/dbraw/zinc/94/01/60/777940160.db2.gz RGWGPJOVABJSOJ-ZWNOBZJWSA-N 1 0 287.360 -1.532 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284430358 777940958 /nfs/dbraw/zinc/94/09/58/777940958.db2.gz QUAIRDOKHPLGIA-LLVKDONJSA-N 1 0 295.343 -1.986 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001284424909 777941093 /nfs/dbraw/zinc/94/10/93/777941093.db2.gz KWMHHMHENIUOPM-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001284433121 777941381 /nfs/dbraw/zinc/94/13/81/777941381.db2.gz WPJOAWMAMXPRPM-NSHDSACASA-N 1 0 288.311 -1.220 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC(F)F ZINC001284427587 777941444 /nfs/dbraw/zinc/94/14/44/777941444.db2.gz AKOCCKJKRDEYCK-VIFPVBQESA-N 1 0 291.298 -1.200 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284445989 777942127 /nfs/dbraw/zinc/94/21/27/777942127.db2.gz XZIQHYYFOBGTCP-JTQLQIEISA-N 1 0 267.329 -1.316 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001284439085 777942755 /nfs/dbraw/zinc/94/27/55/777942755.db2.gz ZKFHHHWSQYJUPZ-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001284439087 777942864 /nfs/dbraw/zinc/94/28/64/777942864.db2.gz ZKFHHHWSQYJUPZ-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001284435666 777942875 /nfs/dbraw/zinc/94/28/75/777942875.db2.gz JYQPRDWUDCTQKT-NWDGAFQWSA-N 1 0 281.356 -1.103 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001284445261 777943061 /nfs/dbraw/zinc/94/30/61/777943061.db2.gz RBBKJTKOEVPGHN-ZJUUUORDSA-N 1 0 270.333 -1.347 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001284494215 777944902 /nfs/dbraw/zinc/94/49/02/777944902.db2.gz ZTCQVCBBGJTMSU-LLVKDONJSA-N 1 0 285.344 -1.737 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001284471307 777945005 /nfs/dbraw/zinc/94/50/05/777945005.db2.gz ZVSBYOKDQIMORO-QWHCGFSZSA-N 1 0 283.372 -1.251 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001284494221 777945333 /nfs/dbraw/zinc/94/53/33/777945333.db2.gz ZTCQVCBBGJTMSU-NSHDSACASA-N 1 0 285.344 -1.737 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001284490857 777945418 /nfs/dbraw/zinc/94/54/18/777945418.db2.gz BMSYMOOXVTVEKH-SNVBAGLBSA-N 1 0 255.318 -1.364 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001284476079 777945753 /nfs/dbraw/zinc/94/57/53/777945753.db2.gz FKGIGNSLSZNGEO-ZDUSSCGKSA-N 1 0 294.355 -1.058 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001284481336 777946043 /nfs/dbraw/zinc/94/60/43/777946043.db2.gz GHHUMNWHGMMTAZ-GFCCVEGCSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001284467942 777946121 /nfs/dbraw/zinc/94/61/21/777946121.db2.gz MERZCXYWZXHRIR-SNVBAGLBSA-N 1 0 296.327 -2.078 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001284504617 777947119 /nfs/dbraw/zinc/94/71/19/777947119.db2.gz HLPNFHMRGSRXEX-NEPJUHHUSA-N 1 0 296.371 -1.216 20 30 CAEDRO COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001284788183 777956678 /nfs/dbraw/zinc/95/66/78/777956678.db2.gz YDXGABOHOTYNMC-HTAVTVPLSA-N 1 0 294.355 -1.103 20 30 CAEDRO COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001284788184 777957468 /nfs/dbraw/zinc/95/74/68/777957468.db2.gz YDXGABOHOTYNMC-MCIGGMRASA-N 1 0 294.355 -1.103 20 30 CAEDRO C=CCOCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001287748994 778007574 /nfs/dbraw/zinc/00/75/74/778007574.db2.gz BYFZBKWDKISUQD-RYUDHWBXSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCCOCCS(N)(=O)=O ZINC001297584798 778112179 /nfs/dbraw/zinc/11/21/79/778112179.db2.gz CFNMAVXATKAVBN-UHFFFAOYSA-N 1 0 279.362 -1.475 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118150087 779549478 /nfs/dbraw/zinc/54/94/78/779549478.db2.gz WWUZIPBMPXTRFA-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)nn1 ZINC001118149096 779549556 /nfs/dbraw/zinc/54/95/56/779549556.db2.gz WWYXYJVZFNIGSZ-SNVBAGLBSA-N 1 0 292.343 -1.052 20 30 CAEDRO CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001118183917 779552047 /nfs/dbraw/zinc/55/20/47/779552047.db2.gz QPAGTQCJOQBLQO-ZDUSSCGKSA-N 1 0 282.344 -1.117 20 30 CAEDRO Cn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(=O)[nH]c1=O ZINC001118202074 779552672 /nfs/dbraw/zinc/55/26/72/779552672.db2.gz PJLDOVQZQIPBKF-SVRRBLITSA-N 1 0 263.257 -1.673 20 30 CAEDRO C=CCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC001118200336 779552748 /nfs/dbraw/zinc/55/27/48/779552748.db2.gz ACZWAQNZYVATTF-SECBINFHSA-N 1 0 289.357 -1.737 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001118204076 779552765 /nfs/dbraw/zinc/55/27/65/779552765.db2.gz ZUGRKECFSZQGKM-IUCAKERBSA-N 1 0 277.284 -1.846 20 30 CAEDRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001118203091 779552933 /nfs/dbraw/zinc/55/29/33/779552933.db2.gz CEDNGFHXFLOMBZ-NKWVEPMBSA-N 1 0 279.256 -2.365 20 30 CAEDRO Cn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(=O)[nH]c1=O ZINC001118202073 779553496 /nfs/dbraw/zinc/55/34/96/779553496.db2.gz PJLDOVQZQIPBKF-POYBYMJQSA-N 1 0 263.257 -1.673 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001118269575 779558799 /nfs/dbraw/zinc/55/87/99/779558799.db2.gz KWXGAWVIYRVWKS-SFYZADRCSA-N 1 0 263.257 -1.823 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001118269573 779559528 /nfs/dbraw/zinc/55/95/28/779559528.db2.gz KWXGAWVIYRVWKS-JGVFFNPUSA-N 1 0 263.257 -1.823 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118487677 779570622 /nfs/dbraw/zinc/57/06/22/779570622.db2.gz XRYCMFFNVXSXPT-VIFPVBQESA-N 1 0 289.357 -1.819 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC001118551299 779575809 /nfs/dbraw/zinc/57/58/09/779575809.db2.gz AZGZEQASCAHJQF-MNOVXSKESA-N 1 0 285.344 -1.120 20 30 CAEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001118872019 779592726 /nfs/dbraw/zinc/59/27/26/779592726.db2.gz QWNLYNVEZOQLJE-LBPRGKRZSA-N 1 0 286.307 -1.068 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CCO1 ZINC001118870887 779592968 /nfs/dbraw/zinc/59/29/68/779592968.db2.gz FNKKIUIULYMDRY-SNVBAGLBSA-N 1 0 284.316 -1.781 20 30 CAEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC001118932582 779598569 /nfs/dbraw/zinc/59/85/69/779598569.db2.gz PDEKHUDKYAREPK-KCJUWKMLSA-N 1 0 254.265 -1.071 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCN1C1CC1 ZINC001119014112 779603210 /nfs/dbraw/zinc/60/32/10/779603210.db2.gz MPQGHIJEQRUJMT-GFCCVEGCSA-N 1 0 291.355 -1.383 20 30 CAEDRO C#CCN1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084779 779607760 /nfs/dbraw/zinc/60/77/60/779607760.db2.gz ZFWZNTBWXQHCNL-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119357110 779612445 /nfs/dbraw/zinc/61/24/45/779612445.db2.gz NDPLFXZEFBRPRW-UWVGGRQHSA-N 1 0 251.286 -1.675 20 30 CAEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC(=O)NCC#N)C2 ZINC001119413786 779613565 /nfs/dbraw/zinc/61/35/65/779613565.db2.gz ZPENWSZPIOWIMC-JOYOIKCWSA-N 1 0 265.317 -1.123 20 30 CAEDRO C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ncn(C)n2)C1 ZINC001119410724 779613593 /nfs/dbraw/zinc/61/35/93/779613593.db2.gz HQOOIDXDAVGPKD-SNVBAGLBSA-N 1 0 290.327 -1.033 20 30 CAEDRO CCN(C(=O)C(=O)N1CCO[C@H](C#N)C1)[C@@H]1CC[NH2+]C1 ZINC001119439248 779614257 /nfs/dbraw/zinc/61/42/57/779614257.db2.gz SHFIHGJHKLZLMT-GHMZBOCLSA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001119930860 779630768 /nfs/dbraw/zinc/63/07/68/779630768.db2.gz MLIDWIBFKUHUGZ-SNVBAGLBSA-N 1 0 273.358 -1.264 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001119702843 779624330 /nfs/dbraw/zinc/62/43/30/779624330.db2.gz CFSMQYIDRPAHDC-OAHLLOKOSA-N 1 0 291.351 -1.216 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001119702842 779624593 /nfs/dbraw/zinc/62/45/93/779624593.db2.gz CFSMQYIDRPAHDC-HNNXBMFYSA-N 1 0 291.351 -1.216 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCOCCS(C)(=O)=O ZINC001121889581 779651669 /nfs/dbraw/zinc/65/16/69/779651669.db2.gz ZTKYHSLNPCFFSX-UHFFFAOYSA-N 1 0 262.331 -1.613 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001119930859 779630602 /nfs/dbraw/zinc/63/06/02/779630602.db2.gz MLIDWIBFKUHUGZ-JTQLQIEISA-N 1 0 273.358 -1.264 20 30 CAEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001120270715 779633755 /nfs/dbraw/zinc/63/37/55/779633755.db2.gz PXBAGSWQGUMGJB-GWCFXTLKSA-N 1 0 280.328 -1.052 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001120380239 779634504 /nfs/dbraw/zinc/63/45/04/779634504.db2.gz HSZVFZUAGWPKKB-FIQHERPVSA-N 1 0 257.334 -1.333 20 30 CAEDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001120378357 779634810 /nfs/dbraw/zinc/63/48/10/779634810.db2.gz RZJCLPZFWMQDGS-CABZTGNLSA-N 1 0 268.317 -1.067 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001120380242 779634938 /nfs/dbraw/zinc/63/49/38/779634938.db2.gz HSZVFZUAGWPKKB-YFKTTZPYSA-N 1 0 257.334 -1.333 20 30 CAEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001120378359 779634973 /nfs/dbraw/zinc/63/49/73/779634973.db2.gz RZJCLPZFWMQDGS-SKDRFNHKSA-N 1 0 268.317 -1.067 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001120380240 779634984 /nfs/dbraw/zinc/63/49/84/779634984.db2.gz HSZVFZUAGWPKKB-KKOKHZNYSA-N 1 0 257.334 -1.333 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCN1CCCS1(=O)=O ZINC001120573879 779641732 /nfs/dbraw/zinc/64/17/32/779641732.db2.gz JDDLKOLQYUOYSD-UHFFFAOYSA-N 1 0 273.358 -1.249 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)C(=O)NCC(=O)N(C)C)CC1 ZINC001121065548 779646792 /nfs/dbraw/zinc/64/67/92/779646792.db2.gz XHEKORPIVCVPJH-UHFFFAOYSA-N 1 0 294.355 -1.595 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC001121894583 779652660 /nfs/dbraw/zinc/65/26/60/779652660.db2.gz HZNBZNCPEKRVSW-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001121937587 779653399 /nfs/dbraw/zinc/65/33/99/779653399.db2.gz QPSIZWQUXNBFAL-LBPRGKRZSA-N 1 0 250.346 -1.285 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001121979711 779653714 /nfs/dbraw/zinc/65/37/14/779653714.db2.gz WMGNNRIXPZXKOH-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001121979710 779653805 /nfs/dbraw/zinc/65/38/05/779653805.db2.gz WMGNNRIXPZXKOH-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001122118654 779658247 /nfs/dbraw/zinc/65/82/47/779658247.db2.gz LGWYWPOCEQMWCC-QGZVFWFLSA-N 1 0 258.347 -1.055 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@@H](C(=O)OCC)C1 ZINC001122119489 779658677 /nfs/dbraw/zinc/65/86/77/779658677.db2.gz DCGNKTYFBSIKMD-SNVBAGLBSA-N 1 0 254.286 -1.000 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001122178990 779660770 /nfs/dbraw/zinc/66/07/70/779660770.db2.gz OKCSWJCIHKZYNS-CHWSQXEVSA-N 1 0 263.297 -1.280 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001122178855 779660812 /nfs/dbraw/zinc/66/08/12/779660812.db2.gz OKCSWJCIHKZYNS-BETUJISGSA-N 1 0 263.297 -1.280 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001122178992 779660843 /nfs/dbraw/zinc/66/08/43/779660843.db2.gz OKCSWJCIHKZYNS-STQMWFEESA-N 1 0 263.297 -1.280 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COC ZINC001122316619 779664042 /nfs/dbraw/zinc/66/40/42/779664042.db2.gz LKEWWJGTRVFTIP-UHFFFAOYSA-N 1 0 272.305 -1.650 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCOC ZINC001122417050 779667890 /nfs/dbraw/zinc/66/78/90/779667890.db2.gz NHBWZWGCILXMGM-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CCOCC1 ZINC001122492114 779671451 /nfs/dbraw/zinc/67/14/51/779671451.db2.gz FVXXITYIUQZTSJ-UHFFFAOYSA-N 1 0 268.317 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(C)=O ZINC001122667415 779673222 /nfs/dbraw/zinc/67/32/22/779673222.db2.gz DXGBLEIKUTVSKJ-UHFFFAOYSA-N 1 0 254.290 -2.422 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(C)=O ZINC001122667830 779673598 /nfs/dbraw/zinc/67/35/98/779673598.db2.gz NXRLDGBBCNXMOB-UHFFFAOYSA-N 1 0 256.306 -1.870 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnccn1 ZINC001122828043 779675560 /nfs/dbraw/zinc/67/55/60/779675560.db2.gz YOPBDNRUCJKMQJ-UHFFFAOYSA-N 1 0 262.273 -1.564 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnccn1 ZINC001122840640 779675757 /nfs/dbraw/zinc/67/57/57/779675757.db2.gz RYAPFQGNBMOJKE-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1=COCCO1 ZINC001123031423 779676764 /nfs/dbraw/zinc/67/67/64/779676764.db2.gz FFKAVQFYNLAQKY-SNVBAGLBSA-N 1 0 281.312 -1.282 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123092009 779680411 /nfs/dbraw/zinc/68/04/11/779680411.db2.gz UEOAFOMRFMJLOE-UHFFFAOYSA-N 1 0 277.284 -1.749 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123104527 779680820 /nfs/dbraw/zinc/68/08/20/779680820.db2.gz UXVVYOZDIFCBQT-SECBINFHSA-N 1 0 291.311 -1.361 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO1 ZINC001123128524 779681079 /nfs/dbraw/zinc/68/10/79/779681079.db2.gz VVBQLJOTEAFGRJ-JTQLQIEISA-N 1 0 253.302 -1.379 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO1 ZINC001123144093 779681278 /nfs/dbraw/zinc/68/12/78/779681278.db2.gz ODLJADPJVIGTAN-VIFPVBQESA-N 1 0 254.290 -1.489 20 30 CAEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CNC(N)=O ZINC001123236208 779681809 /nfs/dbraw/zinc/68/18/09/779681809.db2.gz XSOGGXCVMQXPPG-UHFFFAOYSA-N 1 0 299.375 -1.215 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(N)=O ZINC001123234833 779682084 /nfs/dbraw/zinc/68/20/84/779682084.db2.gz CVCZHYOBPBZDIO-UHFFFAOYSA-N 1 0 255.278 -2.890 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(N)=O ZINC001123264215 779684892 /nfs/dbraw/zinc/68/48/92/779684892.db2.gz VKRSAGNFDRDGAC-MRVPVSSYSA-N 1 0 271.321 -1.949 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(N)=O ZINC001123258802 779684973 /nfs/dbraw/zinc/68/49/73/779684973.db2.gz SVXZQDDQNYEMAP-UHFFFAOYSA-N 1 0 257.294 -2.337 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123341382 779688183 /nfs/dbraw/zinc/68/81/83/779688183.db2.gz HUWSLLRZBHICIV-UHFFFAOYSA-N 1 0 280.328 -1.936 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cccn1 ZINC001123514853 779689450 /nfs/dbraw/zinc/68/94/50/779689450.db2.gz HPOWFWINWMXWFL-UHFFFAOYSA-N 1 0 263.301 -1.662 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1 ZINC001123359900 779689470 /nfs/dbraw/zinc/68/94/70/779689470.db2.gz SMOVYXBGLCJAML-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)on1 ZINC001123423296 779689648 /nfs/dbraw/zinc/68/96/48/779689648.db2.gz JIJJJRNMJQUKLF-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cccn1 ZINC001123531665 779691091 /nfs/dbraw/zinc/69/10/91/779691091.db2.gz UEYPWXUYRGSFJA-LLVKDONJSA-N 1 0 277.328 -1.273 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCn1cccn1 ZINC001123712677 779691865 /nfs/dbraw/zinc/69/18/65/779691865.db2.gz RXBWLXCGXPJYAU-UHFFFAOYSA-N 1 0 277.328 -1.272 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123792217 779693488 /nfs/dbraw/zinc/69/34/88/779693488.db2.gz NIPSVWQIYYVEKE-UHFFFAOYSA-N 1 0 268.342 -1.302 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123869423 779695620 /nfs/dbraw/zinc/69/56/20/779695620.db2.gz HRLSCCOUVYXTKS-NSHDSACASA-N 1 0 256.302 -1.243 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123870576 779696622 /nfs/dbraw/zinc/69/66/22/779696622.db2.gz WZKONXBKMFXZCU-SNVBAGLBSA-N 1 0 271.317 -1.590 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123870563 779697182 /nfs/dbraw/zinc/69/71/82/779697182.db2.gz WSFBILCKXFASCG-JTQLQIEISA-N 1 0 269.301 -2.143 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123891270 779697779 /nfs/dbraw/zinc/69/77/79/779697779.db2.gz LQMLHXRFWCEFIB-UHFFFAOYSA-N 1 0 250.262 -1.631 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCOC ZINC001124073173 779702047 /nfs/dbraw/zinc/70/20/47/779702047.db2.gz PPRNZXFOLPIKHC-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cn[nH]c1 ZINC001124067603 779702159 /nfs/dbraw/zinc/70/21/59/779702159.db2.gz CDMCXGJQCZVDTR-UHFFFAOYSA-N 1 0 250.262 -1.631 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124085195 779703257 /nfs/dbraw/zinc/70/32/57/779703257.db2.gz YPHMBEXFLHBPGP-UHFFFAOYSA-N 1 0 281.316 -2.142 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124088576 779703298 /nfs/dbraw/zinc/70/32/98/779703298.db2.gz FHBWJEVGSBDMJD-SNVBAGLBSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnsn1 ZINC001124167878 779704688 /nfs/dbraw/zinc/70/46/88/779704688.db2.gz IPHNFWLIAHADQC-MRVPVSSYSA-N 1 0 281.341 -1.005 20 30 CAEDRO Cc1ncncc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124119823 779704766 /nfs/dbraw/zinc/70/47/66/779704766.db2.gz RQQZIXIWPHBCEE-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1OCC ZINC001124141503 779705123 /nfs/dbraw/zinc/70/51/23/779705123.db2.gz VMSYNTJXDPPDDF-GHMZBOCLSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CC[NH2+]CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001149102929 779719812 /nfs/dbraw/zinc/71/98/12/779719812.db2.gz ABNUPACRZSDQHT-LLVKDONJSA-N 1 0 273.358 -1.203 20 30 CAEDRO Cc1cnn(CC(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001124282816 779708922 /nfs/dbraw/zinc/70/89/22/779708922.db2.gz ZXBBGRZVILNQMK-UHFFFAOYSA-N 1 0 278.316 -1.463 20 30 CAEDRO CCCC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124350605 779710494 /nfs/dbraw/zinc/71/04/94/779710494.db2.gz KXISNYIPENPCIN-UHFFFAOYSA-N 1 0 283.332 -1.752 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124361706 779710840 /nfs/dbraw/zinc/71/08/40/779710840.db2.gz ASXVZFZTECRAGE-UHFFFAOYSA-N 1 0 262.331 -1.613 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCOC1 ZINC001124509310 779712183 /nfs/dbraw/zinc/71/21/83/779712183.db2.gz NKVBRDQJHKVHOZ-MNOVXSKESA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COC(C)C ZINC001124432226 779712239 /nfs/dbraw/zinc/71/22/39/779712239.db2.gz RNTYLLWBQKDPFG-UHFFFAOYSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCOC1 ZINC001124509311 779712438 /nfs/dbraw/zinc/71/24/38/779712438.db2.gz NKVBRDQJHKVHOZ-QWRGUYRKSA-N 1 0 267.329 -1.133 20 30 CAEDRO CC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124567481 779713165 /nfs/dbraw/zinc/71/31/65/779713165.db2.gz QJOJBFJVEYYSFP-SECBINFHSA-N 1 0 256.306 -1.243 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cnn(C)c1 ZINC001124626405 779713256 /nfs/dbraw/zinc/71/32/56/779713256.db2.gz AOSWRIICDXXMFQ-NSHDSACASA-N 1 0 291.355 -1.194 20 30 CAEDRO C=CCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124636685 779713418 /nfs/dbraw/zinc/71/34/18/779713418.db2.gz VLKQTSZRDUDHTA-UHFFFAOYSA-N 1 0 282.344 -1.383 20 30 CAEDRO CC[C@H](OC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124567482 779713435 /nfs/dbraw/zinc/71/34/35/779713435.db2.gz QJOJBFJVEYYSFP-VIFPVBQESA-N 1 0 256.306 -1.243 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001124772900 779715832 /nfs/dbraw/zinc/71/58/32/779715832.db2.gz LJIDQYZQROCLED-UHFFFAOYSA-N 1 0 293.389 -1.166 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cocn1 ZINC001124787533 779715983 /nfs/dbraw/zinc/71/59/83/779715983.db2.gz CXABGGBOCYJBKM-UHFFFAOYSA-N 1 0 250.258 -1.257 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001124773873 779716220 /nfs/dbraw/zinc/71/62/20/779716220.db2.gz ZOFLZIKHHCIEQW-QMMMGPOBSA-N 1 0 272.305 -1.522 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124764719 779716497 /nfs/dbraw/zinc/71/64/97/779716497.db2.gz ATLBOTVNDDHRGU-UHFFFAOYSA-N 1 0 254.290 -1.465 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001124908126 779718938 /nfs/dbraw/zinc/71/89/38/779718938.db2.gz DKWQKEYDKWMYTH-BQBZGAKWSA-N 1 0 255.278 -1.565 20 30 CAEDRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124888724 779719743 /nfs/dbraw/zinc/71/97/43/779719743.db2.gz LIODRTOHHJFDEW-MRVPVSSYSA-N 1 0 269.305 -1.302 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nccnc1N ZINC001125033965 779720793 /nfs/dbraw/zinc/72/07/93/779720793.db2.gz IEHWVIWZKZHYHJ-VIFPVBQESA-N 1 0 290.327 -1.484 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC)c1 ZINC001125011086 779721429 /nfs/dbraw/zinc/72/14/29/779721429.db2.gz OUIOARIJJWZTLO-UHFFFAOYSA-N 1 0 277.328 -1.028 20 30 CAEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CC(N)=O ZINC001125079580 779721532 /nfs/dbraw/zinc/72/15/32/779721532.db2.gz AIJYWCLEAOPIFO-UHFFFAOYSA-N 1 0 284.360 -1.008 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125164998 779722263 /nfs/dbraw/zinc/72/22/63/779722263.db2.gz WCAMHFQTZOSWJE-SNVBAGLBSA-N 1 0 277.328 -1.204 20 30 CAEDRO Cc1c(C(=O)NCC[NH2+]CC(=O)NCC#N)nnn1C ZINC001125169456 779722295 /nfs/dbraw/zinc/72/22/95/779722295.db2.gz BGRMVILIMZMRKB-UHFFFAOYSA-N 1 0 279.304 -1.917 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccon1 ZINC001125098563 779722371 /nfs/dbraw/zinc/72/23/71/779722371.db2.gz ICVZBTQBUPVZDJ-UHFFFAOYSA-N 1 0 264.285 -1.328 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125141522 779723036 /nfs/dbraw/zinc/72/30/36/779723036.db2.gz QDQGPIBERPUSLP-UHFFFAOYSA-N 1 0 263.301 -1.593 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125213310 779724367 /nfs/dbraw/zinc/72/43/67/779724367.db2.gz DLGGYDINPYWGCZ-LLVKDONJSA-N 1 0 282.344 -2.228 20 30 CAEDRO CN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001125213352 779724406 /nfs/dbraw/zinc/72/44/06/779724406.db2.gz GKWHCLJEBRCTQO-JTQLQIEISA-N 1 0 283.332 -2.337 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125185398 779724890 /nfs/dbraw/zinc/72/48/90/779724890.db2.gz ZZWBTWWHRIMIRT-VIFPVBQESA-N 1 0 292.343 -1.419 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149160080 779735663 /nfs/dbraw/zinc/73/56/63/779735663.db2.gz OMSMWDCGHHJBHS-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001202991849 779736819 /nfs/dbraw/zinc/73/68/19/779736819.db2.gz RVOJAIMEPCWLAL-UHFFFAOYSA-N 1 0 291.315 -1.361 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001202983782 779736987 /nfs/dbraw/zinc/73/69/87/779736987.db2.gz QLXFSONRSYQYNM-UHFFFAOYSA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001140506102 779738467 /nfs/dbraw/zinc/73/84/67/779738467.db2.gz XBJIFHYYFGXKAJ-JTQLQIEISA-N 1 0 253.302 -1.706 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)c2cnon2)CC1 ZINC001203015950 779738489 /nfs/dbraw/zinc/73/84/89/779738489.db2.gz NQFAEGPXJOJQLW-UHFFFAOYSA-N 1 0 292.299 -1.096 20 30 CAEDRO N#CC1(C(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001143185766 779769211 /nfs/dbraw/zinc/76/92/11/779769211.db2.gz HSGDIYVQRUCARM-UHFFFAOYSA-N 1 0 256.266 -1.045 20 30 CAEDRO C[NH+]1CCN(CCC(=O)N(O)C(=N)c2nonc2N)CC1 ZINC001143224269 779769301 /nfs/dbraw/zinc/76/93/01/779769301.db2.gz QVHMAQUNYRMRBL-UHFFFAOYSA-N 1 0 297.319 -1.168 20 30 CAEDRO Cc1nn(C)c(F)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149370200 779775903 /nfs/dbraw/zinc/77/59/03/779775903.db2.gz WEVLFYIMMJGYDO-UHFFFAOYSA-N 1 0 296.306 -1.173 20 30 CAEDRO Cn1cncc1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149553208 779780105 /nfs/dbraw/zinc/78/01/05/779780105.db2.gz FYLHJRKVVZZFPE-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO C#CC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149571065 779780271 /nfs/dbraw/zinc/78/02/71/779780271.db2.gz NOJAIJCKZDJEKW-UHFFFAOYSA-N 1 0 251.290 -1.771 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149539586 779780323 /nfs/dbraw/zinc/78/03/23/779780323.db2.gz XGBGYVWHXLJVHU-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO C=CC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149571040 779780406 /nfs/dbraw/zinc/78/04/06/779780406.db2.gz MMTMCRZYUQAQRA-UHFFFAOYSA-N 1 0 253.306 -1.218 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576738 779781344 /nfs/dbraw/zinc/78/13/44/779781344.db2.gz MPDBTXVWLFHQII-UHFFFAOYSA-N 1 0 295.343 -1.754 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739385 779782538 /nfs/dbraw/zinc/78/25/38/779782538.db2.gz LPRBGFCUEWUCHR-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150217672 779786923 /nfs/dbraw/zinc/78/69/23/779786923.db2.gz AVVVIWLGEGFCQF-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)n(C)n1 ZINC001150130182 779787302 /nfs/dbraw/zinc/78/73/02/779787302.db2.gz LUTPJOWGZKYNMG-UHFFFAOYSA-N 1 0 291.311 -2.151 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150234408 779788687 /nfs/dbraw/zinc/78/86/87/779788687.db2.gz SPEOJGYCMSWUHK-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150218688 779789103 /nfs/dbraw/zinc/78/91/03/779789103.db2.gz JAXQJVNXNXVRIX-LLVKDONJSA-N 1 0 285.344 -1.119 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cncn1 ZINC001150250165 779789160 /nfs/dbraw/zinc/78/91/60/779789160.db2.gz PJEMAEFEPDAZKY-SNVBAGLBSA-N 1 0 278.316 -1.878 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cncn1 ZINC001150250368 779789662 /nfs/dbraw/zinc/78/96/62/779789662.db2.gz UBCUNGZNVBNRME-JTQLQIEISA-N 1 0 280.332 -1.325 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150324787 779789708 /nfs/dbraw/zinc/78/97/08/779789708.db2.gz QAHSLXLBFALZKU-UHFFFAOYSA-N 1 0 252.274 -1.781 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150331529 779791199 /nfs/dbraw/zinc/79/11/99/779791199.db2.gz LEGCUPHNCWFDAZ-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150330711 779791431 /nfs/dbraw/zinc/79/14/31/779791431.db2.gz CCLBCHRWQFJPAU-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150331417 779791883 /nfs/dbraw/zinc/79/18/83/779791883.db2.gz JXODGBBTTXXAPV-UHFFFAOYSA-N 1 0 296.327 -1.764 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150401419 779792707 /nfs/dbraw/zinc/79/27/07/779792707.db2.gz WWSWBVYRSPZZOP-SNVBAGLBSA-N 1 0 298.343 -1.117 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150400795 779792732 /nfs/dbraw/zinc/79/27/32/779792732.db2.gz RTAHVSFEBBVBQJ-QMMMGPOBSA-N 1 0 254.290 -1.134 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150400618 779792740 /nfs/dbraw/zinc/79/27/40/779792740.db2.gz OKYSKJFSSVRFPB-SECBINFHSA-N 1 0 266.301 -1.296 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CCCN1C(=O)CNC1=O ZINC001150532627 779797720 /nfs/dbraw/zinc/79/77/20/779797720.db2.gz CMXOFCZFIYVBMB-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150978390 779800176 /nfs/dbraw/zinc/80/01/76/779800176.db2.gz QTNNJFXOIDSGMX-UHFFFAOYSA-N 1 0 294.311 -1.545 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150997766 779802770 /nfs/dbraw/zinc/80/27/70/779802770.db2.gz VUBGTYUPDVQWRN-UHFFFAOYSA-N 1 0 275.374 -1.391 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001151003369 779802922 /nfs/dbraw/zinc/80/29/22/779802922.db2.gz ZEUVMYUJSGUBDT-UHFFFAOYSA-N 1 0 287.385 -1.554 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001151236383 779805873 /nfs/dbraw/zinc/80/58/73/779805873.db2.gz HVHGNRKXZRKSKZ-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174452 779806261 /nfs/dbraw/zinc/80/62/61/779806261.db2.gz SXBHGPKTOAFXAD-UHFFFAOYSA-N 1 0 291.311 -1.818 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151302096 779807661 /nfs/dbraw/zinc/80/76/61/779807661.db2.gz XYTQLRLIJQJWOT-JTQLQIEISA-N 1 0 289.357 -1.966 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151302097 779807996 /nfs/dbraw/zinc/80/79/96/779807996.db2.gz XYTQLRLIJQJWOT-SNVBAGLBSA-N 1 0 289.357 -1.966 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151354735 779808843 /nfs/dbraw/zinc/80/88/43/779808843.db2.gz SOMRPAIGQRASTD-UHFFFAOYSA-N 1 0 295.343 -1.656 20 30 CAEDRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001151373007 779809292 /nfs/dbraw/zinc/80/92/92/779809292.db2.gz IRTCXAZXRVILEY-UHFFFAOYSA-N 1 0 291.333 -3.119 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)[C@@H](C)CC ZINC001151367119 779809427 /nfs/dbraw/zinc/80/94/27/779809427.db2.gz XWYZHBNWAHQSKP-NSHDSACASA-N 1 0 296.371 -1.396 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151379547 779810676 /nfs/dbraw/zinc/81/06/76/779810676.db2.gz JEBYNOOJJCROKO-UHFFFAOYSA-N 1 0 279.362 -1.556 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373617 779810815 /nfs/dbraw/zinc/81/08/15/779810815.db2.gz RMOLFFUFZVDCOW-UHFFFAOYSA-N 1 0 269.754 -1.006 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151622374 779813770 /nfs/dbraw/zinc/81/37/70/779813770.db2.gz RENZEPJUNIOLAC-NSHDSACASA-N 1 0 253.302 -1.427 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152091038 779820134 /nfs/dbraw/zinc/82/01/34/779820134.db2.gz MMMZNKHQYVUAOL-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO Cn1cc(CCC(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001152230893 779821161 /nfs/dbraw/zinc/82/11/61/779821161.db2.gz PXAYFAPIGMHNCD-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254502 779821442 /nfs/dbraw/zinc/82/14/42/779821442.db2.gz OICYSXJDPLHWJJ-UHFFFAOYSA-N 1 0 280.332 -1.324 20 30 CAEDRO CNC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152276137 779821459 /nfs/dbraw/zinc/82/14/59/779821459.db2.gz VFOOZUGGKYLDIM-UHFFFAOYSA-N 1 0 298.347 -1.960 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)C1CCC1 ZINC001152303917 779821797 /nfs/dbraw/zinc/82/17/97/779821797.db2.gz JLEHADHKXMDTRL-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254819 779821966 /nfs/dbraw/zinc/82/19/66/779821966.db2.gz TYHDNOOKJOLFNS-UHFFFAOYSA-N 1 0 280.332 -1.324 20 30 CAEDRO C=CC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409123 779822394 /nfs/dbraw/zinc/82/23/94/779822394.db2.gz AFNHKJFXVPBRMS-UHFFFAOYSA-N 1 0 252.278 -1.731 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420963 779822484 /nfs/dbraw/zinc/82/24/84/779822484.db2.gz NOBQMHDLONQPJZ-UHFFFAOYSA-N 1 0 278.316 -1.681 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NC ZINC001152399121 779822807 /nfs/dbraw/zinc/82/28/07/779822807.db2.gz ONSYCEIIQOUPPU-UHFFFAOYSA-N 1 0 299.375 -1.298 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152410427 779823154 /nfs/dbraw/zinc/82/31/54/779823154.db2.gz ZCLCTONBIJCNFU-UHFFFAOYSA-N 1 0 250.262 -2.284 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420738 779823935 /nfs/dbraw/zinc/82/39/35/779823935.db2.gz HUQBKOKYBGWSEX-UHFFFAOYSA-N 1 0 292.343 -1.291 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152508462 779826094 /nfs/dbraw/zinc/82/60/94/779826094.db2.gz KFBUKBFXGKYDCH-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152691376 779828388 /nfs/dbraw/zinc/82/83/88/779828388.db2.gz LCMMISZUMSXGHT-UHFFFAOYSA-N 1 0 293.327 -2.207 20 30 CAEDRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)n(C)c1=O ZINC001152691235 779828917 /nfs/dbraw/zinc/82/89/17/779828917.db2.gz IUSDGESETZXYJG-UHFFFAOYSA-N 1 0 294.315 -2.317 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152777987 779831285 /nfs/dbraw/zinc/83/12/85/779831285.db2.gz VYFSRAUQHMDJFE-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO C=CCCOCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001153085443 779835512 /nfs/dbraw/zinc/83/55/12/779835512.db2.gz ARRSUGMJTYMKOB-UHFFFAOYSA-N 1 0 272.305 -1.520 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001153148811 779835592 /nfs/dbraw/zinc/83/55/92/779835592.db2.gz MJIXBYAMZBAPHZ-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001153149550 779835664 /nfs/dbraw/zinc/83/56/64/779835664.db2.gz YGEFMNONYNLNOK-JTQLQIEISA-N 1 0 293.389 -1.168 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153134837 779836274 /nfs/dbraw/zinc/83/62/74/779836274.db2.gz IWAJZYAWAGYLKS-JTQLQIEISA-N 1 0 268.317 -1.077 20 30 CAEDRO COCCOCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153226554 779836919 /nfs/dbraw/zinc/83/69/19/779836919.db2.gz YBBAJOUUSJDXJY-UHFFFAOYSA-N 1 0 286.332 -1.615 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153500560 779839750 /nfs/dbraw/zinc/83/97/50/779839750.db2.gz PBVGTUKIVBMQMM-LLVKDONJSA-N 1 0 277.328 -1.273 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153487799 779841314 /nfs/dbraw/zinc/84/13/14/779841314.db2.gz QCEOALRZUVAOFZ-UHFFFAOYSA-N 1 0 265.317 -1.109 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153585593 779841921 /nfs/dbraw/zinc/84/19/21/779841921.db2.gz CGOWRDUIDZDBAF-JTQLQIEISA-N 1 0 295.343 -2.015 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nn(CC)nc1C ZINC001153752973 779844767 /nfs/dbraw/zinc/84/47/67/779844767.db2.gz OXOZHIHMFVMDCG-UHFFFAOYSA-N 1 0 292.343 -1.325 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153762273 779844872 /nfs/dbraw/zinc/84/48/72/779844872.db2.gz XPRXSRSNEWDHSI-UHFFFAOYSA-N 1 0 294.359 -1.244 20 30 CAEDRO CC(C)C[C@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153789681 779846238 /nfs/dbraw/zinc/84/62/38/779846238.db2.gz FDXFOXYUYIESHU-SNVBAGLBSA-N 1 0 297.359 -1.520 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882463 779848070 /nfs/dbraw/zinc/84/80/70/779848070.db2.gz GPBIADVDRFLILH-SECBINFHSA-N 1 0 251.286 -1.232 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882459 779848369 /nfs/dbraw/zinc/84/83/69/779848369.db2.gz GNZIGPGZKFQYQI-SECBINFHSA-N 1 0 294.311 -2.506 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)N1CCOCC1 ZINC001153841571 779848688 /nfs/dbraw/zinc/84/86/88/779848688.db2.gz WZMGZIJQMOFCPY-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882464 779848815 /nfs/dbraw/zinc/84/88/15/779848815.db2.gz GPBIADVDRFLILH-VIFPVBQESA-N 1 0 251.286 -1.232 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886990 779849200 /nfs/dbraw/zinc/84/92/00/779849200.db2.gz MPKHDOFOIHHQJG-VIFPVBQESA-N 1 0 251.286 -1.232 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886660 779849518 /nfs/dbraw/zinc/84/95/18/779849518.db2.gz GGTLMQONYDARDL-SECBINFHSA-N 1 0 296.327 -1.953 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882719 779850056 /nfs/dbraw/zinc/85/00/56/779850056.db2.gz MZBHBJDMAIIZGJ-JTQLQIEISA-N 1 0 281.312 -1.605 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882720 779850074 /nfs/dbraw/zinc/85/00/74/779850074.db2.gz MZBHBJDMAIIZGJ-SNVBAGLBSA-N 1 0 281.312 -1.605 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1cnn(C)c1 ZINC001154024520 779851824 /nfs/dbraw/zinc/85/18/24/779851824.db2.gz MSFWONCQKXHBES-SNVBAGLBSA-N 1 0 292.343 -1.131 20 30 CAEDRO COCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001154021875 779852057 /nfs/dbraw/zinc/85/20/57/779852057.db2.gz WYIPUVRQSGGKDA-UHFFFAOYSA-N 1 0 256.306 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCOC ZINC001154021243 779852589 /nfs/dbraw/zinc/85/25/89/779852589.db2.gz FTUYJQGXUHDUOD-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1cnn(C)c1 ZINC001154024515 779852804 /nfs/dbraw/zinc/85/28/04/779852804.db2.gz MSFWONCQKXHBES-JTQLQIEISA-N 1 0 292.343 -1.131 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(C)=O ZINC001154188219 779855486 /nfs/dbraw/zinc/85/54/86/779855486.db2.gz SRQYGJFYPJFLKZ-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(C)=O ZINC001154370164 779856228 /nfs/dbraw/zinc/85/62/28/779856228.db2.gz QGJPWDKJSQEFCD-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cc[n+]([O-])cc1 ZINC001154373436 779857889 /nfs/dbraw/zinc/85/78/89/779857889.db2.gz RNCRIXLUOXBZIK-UHFFFAOYSA-N 1 0 291.311 -1.331 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)CNC(N)=O ZINC001154460583 779858559 /nfs/dbraw/zinc/85/85/59/779858559.db2.gz YOYOQWAXHDUVCZ-UHFFFAOYSA-N 1 0 258.322 -1.047 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CNC(N)=O)C1=O ZINC001154459959 779859380 /nfs/dbraw/zinc/85/93/80/779859380.db2.gz FPQIDZKFWPLMEM-SNVBAGLBSA-N 1 0 297.359 -1.463 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154457262 779859428 /nfs/dbraw/zinc/85/94/28/779859428.db2.gz AZPQOLBWIZDQKI-UHFFFAOYSA-N 1 0 270.293 -2.610 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154499376 779860073 /nfs/dbraw/zinc/86/00/73/779860073.db2.gz MIYFCWTUKCKSAF-UHFFFAOYSA-N 1 0 281.320 -1.929 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467856 779860575 /nfs/dbraw/zinc/86/05/75/779860575.db2.gz RUYXUQRHMKADFV-SECBINFHSA-N 1 0 283.332 -2.112 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154507140 779860995 /nfs/dbraw/zinc/86/09/95/779860995.db2.gz ZTYBYSZLOHWZCD-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154503345 779861089 /nfs/dbraw/zinc/86/10/89/779861089.db2.gz QFQXXPVHINZIQH-UHFFFAOYSA-N 1 0 268.321 -1.028 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506922 779861358 /nfs/dbraw/zinc/86/13/58/779861358.db2.gz WMGZQEUUNYUCRQ-JTQLQIEISA-N 1 0 295.347 -1.540 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1cccn1 ZINC001154608445 779863325 /nfs/dbraw/zinc/86/33/25/779863325.db2.gz RENNTOXVXJEZNZ-UHFFFAOYSA-N 1 0 277.328 -1.272 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])c1cnc(C#N)c(C#N)n1 ZINC001154770815 779864275 /nfs/dbraw/zinc/86/42/75/779864275.db2.gz JZNIYYIFFLERSA-UHFFFAOYSA-N 1 0 266.286 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCn1cncn1 ZINC001154696797 779864560 /nfs/dbraw/zinc/86/45/60/779864560.db2.gz UJUBBYIFXIHKMN-UHFFFAOYSA-N 1 0 292.343 -1.487 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154829185 779864919 /nfs/dbraw/zinc/86/49/19/779864919.db2.gz RRWYXKBSJOTTLF-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CSCC#N ZINC001154803261 779865103 /nfs/dbraw/zinc/86/51/03/779865103.db2.gz WQIACJAWVRBPRR-UHFFFAOYSA-N 1 0 283.357 -1.021 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154829186 779865113 /nfs/dbraw/zinc/86/51/13/779865113.db2.gz RRWYXKBSJOTTLF-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn[nH]1 ZINC001154886582 779866769 /nfs/dbraw/zinc/86/67/69/779866769.db2.gz PHSAVZWJRQFNOO-UHFFFAOYSA-N 1 0 264.289 -1.241 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COCCO1 ZINC001154886545 779867459 /nfs/dbraw/zinc/86/74/59/779867459.db2.gz OXGKTVOMYSLUBD-NEPJUHHUSA-N 1 0 297.355 -1.364 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cnsn1 ZINC001155091974 779869887 /nfs/dbraw/zinc/86/98/87/779869887.db2.gz XGXMVMCQZDROEZ-UHFFFAOYSA-N 1 0 282.329 -1.113 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)OC ZINC001155144105 779871165 /nfs/dbraw/zinc/87/11/65/779871165.db2.gz XRULEPDSXFHXFH-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)OC ZINC001155144104 779871203 /nfs/dbraw/zinc/87/12/03/779871203.db2.gz XRULEPDSXFHXFH-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO CCCC(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155278255 779871370 /nfs/dbraw/zinc/87/13/70/779871370.db2.gz AQFCDHYFZWRACM-UHFFFAOYSA-N 1 0 297.359 -1.362 20 30 CAEDRO Cc1cnn(CC(=O)NCCC[NH2+]CC(=O)NCC#N)c1 ZINC001155259191 779872063 /nfs/dbraw/zinc/87/20/63/779872063.db2.gz DAOUAANREOGIBZ-UHFFFAOYSA-N 1 0 292.343 -1.073 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCOC1 ZINC001155439144 779872576 /nfs/dbraw/zinc/87/25/76/779872576.db2.gz KCXDGNPUTGESQA-JTQLQIEISA-N 1 0 268.317 -1.241 20 30 CAEDRO Cn1cc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)cn1 ZINC001155558013 779874277 /nfs/dbraw/zinc/87/42/77/779874277.db2.gz SXAFOPVWUDDOGQ-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001155732111 779874645 /nfs/dbraw/zinc/87/46/45/779874645.db2.gz VMHCNPQVCWMSSY-SECBINFHSA-N 1 0 286.332 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001155614727 779874704 /nfs/dbraw/zinc/87/47/04/779874704.db2.gz QJPXVJPWLDIYMV-WDEREUQCSA-N 1 0 295.339 -1.359 20 30 CAEDRO CCNC(=O)CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155667923 779874755 /nfs/dbraw/zinc/87/47/55/779874755.db2.gz XCGHZUZGHJOJBU-UHFFFAOYSA-N 1 0 297.359 -1.362 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155712767 779874966 /nfs/dbraw/zinc/87/49/66/779874966.db2.gz SMEHMJRBKMUWLQ-UHFFFAOYSA-N 1 0 298.343 -1.163 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155736248 779876651 /nfs/dbraw/zinc/87/66/51/779876651.db2.gz QJMVAACPRZHVOF-SNVBAGLBSA-N 1 0 282.344 -1.337 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)CC ZINC001155803035 779877102 /nfs/dbraw/zinc/87/71/02/779877102.db2.gz VTLRNXUOFSDEFP-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155836571 779877247 /nfs/dbraw/zinc/87/72/47/779877247.db2.gz PWXIKQWRYQSLFO-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)C#N ZINC001155835561 779877399 /nfs/dbraw/zinc/87/73/99/779877399.db2.gz BEHWQBSRCFMIDE-MRVPVSSYSA-N 1 0 269.305 -1.302 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001155855070 779877406 /nfs/dbraw/zinc/87/74/06/779877406.db2.gz SJWWEONDUHZHOV-YUMQZZPRSA-N 1 0 269.305 -1.175 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001155828922 779877523 /nfs/dbraw/zinc/87/75/23/779877523.db2.gz TZNHGMBXSDDMQL-MRVPVSSYSA-N 1 0 266.305 -1.136 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155827482 779877603 /nfs/dbraw/zinc/87/76/03/779877603.db2.gz BTDYKDKBCCMEOU-SECBINFHSA-N 1 0 251.290 -1.118 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155872458 779879538 /nfs/dbraw/zinc/87/95/38/779879538.db2.gz YPFMVFXUCJGCBG-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CC(N)=O ZINC001156005864 779880094 /nfs/dbraw/zinc/88/00/94/779880094.db2.gz BASDWSPJDBNIJE-UHFFFAOYSA-N 1 0 255.278 -2.403 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)CC(N)=O ZINC001156005835 779880541 /nfs/dbraw/zinc/88/05/41/779880541.db2.gz APRNFJMUXNIUGN-UHFFFAOYSA-N 1 0 297.359 -1.280 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CC(N)=O ZINC001156006333 779880726 /nfs/dbraw/zinc/88/07/26/779880726.db2.gz NXLFLFPBQCNTJT-UHFFFAOYSA-N 1 0 256.306 -1.740 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1nnn(C)c1C ZINC001156107381 779882447 /nfs/dbraw/zinc/88/24/47/779882447.db2.gz PAYHVPYOIIYIGH-UHFFFAOYSA-N 1 0 292.343 -1.418 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cc[nH]n1 ZINC001156081873 779882974 /nfs/dbraw/zinc/88/29/74/779882974.db2.gz XMIBQZPSCVCLHP-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO Cc1cc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)n[nH]1 ZINC001156446362 779886164 /nfs/dbraw/zinc/88/61/64/779886164.db2.gz DTNGEGVWRNKSSW-UHFFFAOYSA-N 1 0 292.343 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156798803 779889377 /nfs/dbraw/zinc/88/93/77/779889377.db2.gz FARKMDZDPJQRIX-GFCCVEGCSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)n1cncn1 ZINC001156792118 779889447 /nfs/dbraw/zinc/88/94/47/779889447.db2.gz UXPWHJFYHSMVOX-LLVKDONJSA-N 1 0 292.343 -1.316 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CN1CCOCC1 ZINC001156771294 779889668 /nfs/dbraw/zinc/88/96/68/779889668.db2.gz TXZVBCWCBOFHCH-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001156790974 779889893 /nfs/dbraw/zinc/88/98/93/779889893.db2.gz LKEOVIBBFITMQV-SNVBAGLBSA-N 1 0 293.331 -1.425 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001156857593 779890275 /nfs/dbraw/zinc/89/02/75/779890275.db2.gz WXEPZYKTZUBAEF-UHFFFAOYSA-N 1 0 294.355 -1.500 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001156848367 779890317 /nfs/dbraw/zinc/89/03/17/779890317.db2.gz ZSUODAJLZMCCDC-LLVKDONJSA-N 1 0 294.355 -1.500 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001156848370 779890343 /nfs/dbraw/zinc/89/03/43/779890343.db2.gz ZWRCJHUPGNJPLX-UHFFFAOYSA-N 1 0 292.343 -1.450 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001156847651 779890435 /nfs/dbraw/zinc/89/04/35/779890435.db2.gz CYCOFZHTSKEHIT-SECBINFHSA-N 1 0 268.317 -1.904 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001156847792 779890516 /nfs/dbraw/zinc/89/05/16/779890516.db2.gz HNSFMDROZJTTJI-NSHDSACASA-N 1 0 285.344 -1.771 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001156848295 779890550 /nfs/dbraw/zinc/89/05/50/779890550.db2.gz WOCDDZZCNPCRJF-UHFFFAOYSA-N 1 0 292.343 -1.450 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001156857641 779890968 /nfs/dbraw/zinc/89/09/68/779890968.db2.gz ZECBXHJUEDPCNO-UHFFFAOYSA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1cnon1 ZINC001156847917 779891007 /nfs/dbraw/zinc/89/10/07/779891007.db2.gz KRWOQWMLGBUBEF-UHFFFAOYSA-N 1 0 279.300 -1.195 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NCC=C ZINC001156852547 779891089 /nfs/dbraw/zinc/89/10/89/779891089.db2.gz FKSCWVSDSGXONF-UHFFFAOYSA-N 1 0 294.355 -1.476 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC(=O)NCC ZINC001156869080 779891374 /nfs/dbraw/zinc/89/13/74/779891374.db2.gz VEVHZGAKJJNSTF-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(C)c1N ZINC001156943639 779891649 /nfs/dbraw/zinc/89/16/49/779891649.db2.gz QTDBGCDMIPYGLL-UHFFFAOYSA-N 1 0 292.343 -1.539 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CN1CN=NC1=O ZINC001156879414 779891962 /nfs/dbraw/zinc/89/19/62/779891962.db2.gz ISHOKQQGRVUZQJ-UHFFFAOYSA-N 1 0 281.316 -1.271 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC(=O)NC ZINC001157011939 779894299 /nfs/dbraw/zinc/89/42/99/779894299.db2.gz NCGCSVMZUPBODZ-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC1OCCCO1 ZINC001157061094 779894978 /nfs/dbraw/zinc/89/49/78/779894978.db2.gz WRDAFSKQUAEKFE-UHFFFAOYSA-N 1 0 297.355 -1.015 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157054734 779895247 /nfs/dbraw/zinc/89/52/47/779895247.db2.gz WDCVTOJOVVIJLR-ZJUUUORDSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127984 779895976 /nfs/dbraw/zinc/89/59/76/779895976.db2.gz ZVYLOUXDDYVHCP-UHFFFAOYSA-N 1 0 294.311 -1.563 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127986 779896286 /nfs/dbraw/zinc/89/62/86/779896286.db2.gz ZWADYLPXLPRZBF-UHFFFAOYSA-N 1 0 296.327 -1.010 20 30 CAEDRO Cn1nccc1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157219267 779898335 /nfs/dbraw/zinc/89/83/35/779898335.db2.gz DIIOTLKXZUYPLT-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO C#C[C@](C)(N)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157335094 779899461 /nfs/dbraw/zinc/89/94/61/779899461.db2.gz DEJSRGARSZCZDO-CABZTGNLSA-N 1 0 254.334 -1.303 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157354313 779901023 /nfs/dbraw/zinc/90/10/23/779901023.db2.gz OFROFQAISODRQG-VIFPVBQESA-N 1 0 284.316 -1.507 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157354303 779901190 /nfs/dbraw/zinc/90/11/90/779901190.db2.gz OFROFQAISODRQG-SECBINFHSA-N 1 0 284.316 -1.507 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157370843 779901512 /nfs/dbraw/zinc/90/15/12/779901512.db2.gz LZCZJXITGQRJCH-UWVGGRQHSA-N 1 0 298.343 -1.119 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157371684 779901605 /nfs/dbraw/zinc/90/16/05/779901605.db2.gz UOBCEVVHUIIICT-UWVGGRQHSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157371686 779901635 /nfs/dbraw/zinc/90/16/35/779901635.db2.gz UOBCEVVHUIIICT-ZJUUUORDSA-N 1 0 296.327 -1.671 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157360989 779901797 /nfs/dbraw/zinc/90/17/97/779901797.db2.gz VTCZEOKKDPIQBQ-SNVBAGLBSA-N 1 0 269.301 -1.160 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157371683 779902231 /nfs/dbraw/zinc/90/22/31/779902231.db2.gz UOBCEVVHUIIICT-NXEZZACHSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc(C)o1 ZINC001157466047 779904189 /nfs/dbraw/zinc/90/41/89/779904189.db2.gz IJAQUYPYDVPJQU-UHFFFAOYSA-N 1 0 293.327 -1.234 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CCNC(=O)NC ZINC001157502202 779905457 /nfs/dbraw/zinc/90/54/57/779905457.db2.gz MSVWEHBJPUYVNI-UHFFFAOYSA-N 1 0 299.375 -1.296 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1ncn(C)n1 ZINC001157494013 779905854 /nfs/dbraw/zinc/90/58/54/779905854.db2.gz TVCUTUHIACESIX-UHFFFAOYSA-N 1 0 280.332 -1.173 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ncn(C)n1 ZINC001157493175 779905941 /nfs/dbraw/zinc/90/59/41/779905941.db2.gz CCVNBENWCYTHDG-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO CCn1ncc(C(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001157521559 779906533 /nfs/dbraw/zinc/90/65/33/779906533.db2.gz XNBLHYGLJJHCSS-UHFFFAOYSA-N 1 0 293.331 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)OCC#C ZINC001157869187 779914686 /nfs/dbraw/zinc/91/46/86/779914686.db2.gz IILXTUKTEOREJX-LBPRGKRZSA-N 1 0 279.340 -1.130 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NC ZINC001157863623 779914876 /nfs/dbraw/zinc/91/48/76/779914876.db2.gz MPNFUIXGCQICGY-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001157859669 779914915 /nfs/dbraw/zinc/91/49/15/779914915.db2.gz SWGLYQCZHHHKGH-UHFFFAOYSA-N 1 0 295.343 -1.256 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157869563 779915044 /nfs/dbraw/zinc/91/50/44/779915044.db2.gz OZSJNPZKTXXCFA-VHSXEESVSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001157880544 779916018 /nfs/dbraw/zinc/91/60/18/779916018.db2.gz QQRHBZJMAYDJKB-NXEZZACHSA-N 1 0 298.343 -1.296 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157923825 779917625 /nfs/dbraw/zinc/91/76/25/779917625.db2.gz CPVVBDBQAAIITQ-LLVKDONJSA-N 1 0 298.343 -1.472 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157932262 779917890 /nfs/dbraw/zinc/91/78/90/779917890.db2.gz LJPRZQDYTSNHCJ-LBPRGKRZSA-N 1 0 297.355 -1.363 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001157907109 779917942 /nfs/dbraw/zinc/91/79/42/779917942.db2.gz UCBZVIMARSMSBO-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157939331 779919881 /nfs/dbraw/zinc/91/98/81/779919881.db2.gz NZVLRONQULWNSP-JTQLQIEISA-N 1 0 297.359 -1.721 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157939292 779920127 /nfs/dbraw/zinc/92/01/27/779920127.db2.gz MSMXZSNJXKMQSC-JTQLQIEISA-N 1 0 299.375 -1.169 20 30 CAEDRO Cn1cncc1C[C@H]([NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157982066 779922166 /nfs/dbraw/zinc/92/21/66/779922166.db2.gz IHNAICRCMHIDPT-MNOVXSKESA-N 1 0 262.317 -1.386 20 30 CAEDRO N#C[C@@H]1CNCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157981368 779922289 /nfs/dbraw/zinc/92/22/89/779922289.db2.gz CANAKBWXYABIRP-ZJUUUORDSA-N 1 0 265.317 -2.359 20 30 CAEDRO N#C[C@H]1CNCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157981367 779922305 /nfs/dbraw/zinc/92/23/05/779922305.db2.gz CANAKBWXYABIRP-VHSXEESVSA-N 1 0 265.317 -2.359 20 30 CAEDRO N#C[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157982880 779922381 /nfs/dbraw/zinc/92/23/81/779922381.db2.gz URPZHXMIZLEUHL-RKDXNWHRSA-N 1 0 268.321 -1.914 20 30 CAEDRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157981371 779922515 /nfs/dbraw/zinc/92/25/15/779922515.db2.gz CCDKARAWRSXCFE-MNOVXSKESA-N 1 0 281.360 -1.200 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCNC[C@H]1C#N ZINC001157983186 779922471 /nfs/dbraw/zinc/92/24/71/779922471.db2.gz YBFULYIVKMJUFY-YIZRAAEISA-N 1 0 296.331 -2.982 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157981607 779922491 /nfs/dbraw/zinc/92/24/91/779922491.db2.gz DDRRPORNRUXTSM-GSRNSYJJSA-N 1 0 258.347 -1.594 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCNC[C@H]1C(=O)OCC ZINC001157998486 779924061 /nfs/dbraw/zinc/92/40/61/779924061.db2.gz GDXAZPRGDKBFRI-CABZTGNLSA-N 1 0 253.302 -1.300 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCNC[C@@H]1C#N ZINC001157983185 779924081 /nfs/dbraw/zinc/92/40/81/779924081.db2.gz YBFULYIVKMJUFY-CIUDSAMLSA-N 1 0 296.331 -2.982 20 30 CAEDRO C#C[C@](C)(N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102363 779927313 /nfs/dbraw/zinc/92/73/13/779927313.db2.gz QGWCEBPGAZLTMK-NWDGAFQWSA-N 1 0 250.302 -1.973 20 30 CAEDRO C#C[C@](C)(N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102364 779927505 /nfs/dbraw/zinc/92/75/05/779927505.db2.gz QGWCEBPGAZLTMK-RYUDHWBXSA-N 1 0 250.302 -1.973 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158169902 779929406 /nfs/dbraw/zinc/92/94/06/779929406.db2.gz HQJUPIYGXOLXKU-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158170364 779929651 /nfs/dbraw/zinc/92/96/51/779929651.db2.gz MPWLGEWJDCLSSJ-UHFFFAOYSA-N 1 0 268.321 -1.028 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176666 779930190 /nfs/dbraw/zinc/93/01/90/779930190.db2.gz UGMGLCFGPIRHNN-JTQLQIEISA-N 1 0 295.347 -1.540 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158176668 779930429 /nfs/dbraw/zinc/93/04/29/779930429.db2.gz UGMGLCFGPIRHNN-SNVBAGLBSA-N 1 0 295.347 -1.540 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC)C1 ZINC001158235752 779931242 /nfs/dbraw/zinc/93/12/42/779931242.db2.gz POCUEDNNRGBVSA-XDTLVQLUSA-N 1 0 266.297 -1.015 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327137 779932587 /nfs/dbraw/zinc/93/25/87/779932587.db2.gz SEJXNXRYAQCQLW-LBPRGKRZSA-N 1 0 265.313 -1.155 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337153 779934018 /nfs/dbraw/zinc/93/40/18/779934018.db2.gz GDTKOSMUJOUFQH-UHFFFAOYSA-N 1 0 278.316 -1.504 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)C1CS(=O)(=O)C1 ZINC001158791733 779939093 /nfs/dbraw/zinc/93/90/93/779939093.db2.gz LEQMRHRITHABNZ-UHFFFAOYSA-N 1 0 288.369 -1.223 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158916780 779941045 /nfs/dbraw/zinc/94/10/45/779941045.db2.gz UDAOVDDEJSOYRC-UHFFFAOYSA-N 1 0 278.316 -1.877 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158917128 779941586 /nfs/dbraw/zinc/94/15/86/779941586.db2.gz YWIYDXSHNBMYQY-NSHDSACASA-N 1 0 292.343 -1.488 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001159248367 779944688 /nfs/dbraw/zinc/94/46/88/779944688.db2.gz FRCIOBQAQUWYBU-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO CN1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001159247793 779944811 /nfs/dbraw/zinc/94/48/11/779944811.db2.gz AZPATPAENCXBQI-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CCNC(=O)COC ZINC001159256549 779945587 /nfs/dbraw/zinc/94/55/87/779945587.db2.gz SPFFGRXGJHPHFY-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327737 779947146 /nfs/dbraw/zinc/94/71/46/779947146.db2.gz NSHCKZXZHAUNMV-UHFFFAOYSA-N 1 0 280.328 -1.171 20 30 CAEDRO CNC(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159334707 779947320 /nfs/dbraw/zinc/94/73/20/779947320.db2.gz FVSCCWJVNHUNNY-UHFFFAOYSA-N 1 0 284.320 -2.349 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159340659 779947500 /nfs/dbraw/zinc/94/75/00/779947500.db2.gz AMWGGMISHDVQDD-UHFFFAOYSA-N 1 0 283.332 -2.239 20 30 CAEDRO N#C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001159473886 779948950 /nfs/dbraw/zinc/94/89/50/779948950.db2.gz PPRGZIWTCMTZKA-LURJTMIESA-N 1 0 277.244 -1.139 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCNC1=O ZINC001159800029 779951510 /nfs/dbraw/zinc/95/15/10/779951510.db2.gz JUHUHVKZJLREQW-SNVBAGLBSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCNC1=O ZINC001159799613 779951628 /nfs/dbraw/zinc/95/16/28/779951628.db2.gz IMKJJNVIJIHWCU-NSHDSACASA-N 1 0 294.355 -1.642 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCNC1=O ZINC001159793450 779951725 /nfs/dbraw/zinc/95/17/25/779951725.db2.gz RRNAVEDZIUZZHU-NSHDSACASA-N 1 0 296.371 -1.089 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160172969 779955768 /nfs/dbraw/zinc/95/57/68/779955768.db2.gz UQVLDMBWBDRNJS-JTQLQIEISA-N 1 0 296.327 -1.670 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001160197884 779957230 /nfs/dbraw/zinc/95/72/30/779957230.db2.gz MITGSAFJIRIFMU-NSHDSACASA-N 1 0 266.345 -1.335 20 30 CAEDRO C=CCN1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160432246 779958489 /nfs/dbraw/zinc/95/84/89/779958489.db2.gz QTWTXADMSBYREQ-GFCCVEGCSA-N 1 0 280.372 -1.353 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160408536 779958551 /nfs/dbraw/zinc/95/85/51/779958551.db2.gz KTYCFHLOSTZEET-SNVBAGLBSA-N 1 0 296.371 -1.268 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCNC1=O ZINC001160433068 779958669 /nfs/dbraw/zinc/95/86/69/779958669.db2.gz GNVRYVUOMOJEBD-SNVBAGLBSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160408535 779958729 /nfs/dbraw/zinc/95/87/29/779958729.db2.gz KTYCFHLOSTZEET-JTQLQIEISA-N 1 0 296.371 -1.268 20 30 CAEDRO C=CCN1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160432247 779958754 /nfs/dbraw/zinc/95/87/54/779958754.db2.gz QTWTXADMSBYREQ-LBPRGKRZSA-N 1 0 280.372 -1.353 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160483298 779962342 /nfs/dbraw/zinc/96/23/42/779962342.db2.gz ICRAVVKTTMVZBE-MNOVXSKESA-N 1 0 252.318 -1.375 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001160484108 779962499 /nfs/dbraw/zinc/96/24/99/779962499.db2.gz QWIKQJCOPSAZPG-QWRGUYRKSA-N 1 0 252.318 -1.233 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160482705 779962506 /nfs/dbraw/zinc/96/25/06/779962506.db2.gz KMRPLKMHDKUNIT-GXTWGEPZSA-N 1 0 277.372 -1.004 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160483299 779962904 /nfs/dbraw/zinc/96/29/04/779962904.db2.gz ICRAVVKTTMVZBE-QWRGUYRKSA-N 1 0 252.318 -1.375 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001160483194 779962933 /nfs/dbraw/zinc/96/29/33/779962933.db2.gz GHVMDOLJRYYIOA-GFCCVEGCSA-N 1 0 251.334 -1.265 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160484142 779962976 /nfs/dbraw/zinc/96/29/76/779962976.db2.gz YTZHQZBKEYWGDU-LBPRGKRZSA-N 1 0 293.371 -1.625 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001160483569 779963035 /nfs/dbraw/zinc/96/30/35/779963035.db2.gz TYTXLMTWYROQMU-LLVKDONJSA-N 1 0 296.375 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001160511651 779964190 /nfs/dbraw/zinc/96/41/90/779964190.db2.gz XLAQEIMHHZIKQX-UHFFFAOYSA-N 1 0 293.327 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160571092 779967201 /nfs/dbraw/zinc/96/72/01/779967201.db2.gz MOWCKIZHCKGSPM-LLVKDONJSA-N 1 0 294.355 -1.500 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160635171 779969199 /nfs/dbraw/zinc/96/91/99/779969199.db2.gz GSPAOFBYWWUQGS-ZDUSSCGKSA-N 1 0 264.329 -1.678 20 30 CAEDRO N#Cc1nccnc1N1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001160637432 779971087 /nfs/dbraw/zinc/97/10/87/779971087.db2.gz PUTQRPYSSXPLBB-SNVBAGLBSA-N 1 0 290.327 -1.293 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@H](C#N)C1 ZINC001160643061 779972249 /nfs/dbraw/zinc/97/22/49/779972249.db2.gz WVZSGLMAUYVAJL-AEJSXWLSSA-N 1 0 268.317 -1.427 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@H](C#N)C1 ZINC001160643062 779972274 /nfs/dbraw/zinc/97/22/74/779972274.db2.gz WVZSGLMAUYVAJL-GUBZILKMSA-N 1 0 268.317 -1.427 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001160642188 779972565 /nfs/dbraw/zinc/97/25/65/779972565.db2.gz GLNCBGVUOGUDAZ-AEJSXWLSSA-N 1 0 295.343 -1.544 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN[C@H](C#N)C1 ZINC001160652763 779973590 /nfs/dbraw/zinc/97/35/90/779973590.db2.gz KXSHGNAQYXYVAW-YIZRAAEISA-N 1 0 296.331 -2.982 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCN1 ZINC001160651118 779973960 /nfs/dbraw/zinc/97/39/60/779973960.db2.gz KFONEUJQPQGMBT-NXEZZACHSA-N 1 0 265.317 -2.359 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CCC#N)CCC#N ZINC001160751263 779980002 /nfs/dbraw/zinc/98/00/02/779980002.db2.gz SJJHEMRVFDHLGU-UWVGGRQHSA-N 1 0 281.316 -1.533 20 30 CAEDRO N#CCCN(CCC#N)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160751745 779980195 /nfs/dbraw/zinc/98/01/95/779980195.db2.gz YXVDSPHONZZKPX-NSHDSACASA-N 1 0 277.328 -1.027 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790975 779982472 /nfs/dbraw/zinc/98/24/72/779982472.db2.gz VBINFLMUHHOLAD-CABZTGNLSA-N 1 0 251.286 -1.593 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C#N)C1 ZINC001160879687 779984785 /nfs/dbraw/zinc/98/47/85/779984785.db2.gz RZRSUOVBSRVCFL-IRWWLHRVSA-N 1 0 259.331 -1.167 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@H](C#N)C1 ZINC001160877819 779985142 /nfs/dbraw/zinc/98/51/42/779985142.db2.gz DBEFEODTIMHBEO-SECBINFHSA-N 1 0 290.345 -2.042 20 30 CAEDRO N#C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CCO1 ZINC001160878470 779985764 /nfs/dbraw/zinc/98/57/64/779985764.db2.gz JLOLQTBOVBRCIK-UWVGGRQHSA-N 1 0 266.301 -1.313 20 30 CAEDRO C#CC1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001160911825 779986889 /nfs/dbraw/zinc/98/68/89/779986889.db2.gz IKBJDQKROHYGDU-ONGXEEELSA-N 1 0 267.329 -1.318 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@H]1C#N ZINC001160932634 779987524 /nfs/dbraw/zinc/98/75/24/779987524.db2.gz CVAUWWGTZXWCJQ-YIZRAAEISA-N 1 0 297.315 -2.555 20 30 CAEDRO N#C[C@H]1COCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160934268 779987636 /nfs/dbraw/zinc/98/76/36/779987636.db2.gz ZRMYQCLPONJPSY-XNDJQWLSSA-N 1 0 250.302 -1.041 20 30 CAEDRO N#C[C@H]1COCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160933639 779987658 /nfs/dbraw/zinc/98/76/58/779987658.db2.gz MSKNYIZETFPEFE-VHSXEESVSA-N 1 0 266.301 -1.932 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCOC[C@H]1C#N ZINC001160933414 779988251 /nfs/dbraw/zinc/98/82/51/779988251.db2.gz KDSMRGWUBWDOPH-YIZRAAEISA-N 1 0 270.289 -2.438 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CS(=O)(=O)CCOC ZINC001161099386 779995740 /nfs/dbraw/zinc/99/57/40/779995740.db2.gz XCQVXWAYRWUNHG-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO C[C@@H](C#N)N(C)C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161144695 779998821 /nfs/dbraw/zinc/99/88/21/779998821.db2.gz PCKIUZAAFLBXCW-QMMMGPOBSA-N 1 0 262.335 -1.423 20 30 CAEDRO C[C@H](C#N)N(C)C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161144692 779999319 /nfs/dbraw/zinc/99/93/19/779999319.db2.gz PCKIUZAAFLBXCW-MRVPVSSYSA-N 1 0 262.335 -1.423 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CNC(=O)CNC(C)=O ZINC001161167552 780000139 /nfs/dbraw/zinc/00/01/39/780000139.db2.gz BMYANLNMBSBLHL-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(C)C[C@H]1C(=O)OC ZINC001161236133 780003851 /nfs/dbraw/zinc/00/38/51/780003851.db2.gz BLTFEIUHQQAAOB-CABZTGNLSA-N 1 0 253.302 -1.347 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(C(C)=O)[C@H](C(=O)OC)C1 ZINC001161296118 780007259 /nfs/dbraw/zinc/00/72/59/780007259.db2.gz PPTDKONTWLGUTR-GWCFXTLKSA-N 1 0 281.312 -1.431 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161460784 780014503 /nfs/dbraw/zinc/01/45/03/780014503.db2.gz BCVJPFBLRBCRBV-UHFFFAOYSA-N 1 0 295.343 -1.673 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161462127 780015247 /nfs/dbraw/zinc/01/52/47/780015247.db2.gz RGPINMBOWSBILO-UHFFFAOYSA-N 1 0 251.290 -1.689 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001161492661 780017560 /nfs/dbraw/zinc/01/75/60/780017560.db2.gz UIAAMCWYNYDEQL-NXEZZACHSA-N 1 0 281.312 -1.128 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001161491703 780017656 /nfs/dbraw/zinc/01/76/56/780017656.db2.gz IDNWWWRIGFSPJA-ZDUSSCGKSA-N 1 0 280.328 -1.017 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001161622558 780024569 /nfs/dbraw/zinc/02/45/69/780024569.db2.gz JNZBNXCGUQIPSG-SNVBAGLBSA-N 1 0 295.343 -1.752 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001161622557 780024709 /nfs/dbraw/zinc/02/47/09/780024709.db2.gz JNZBNXCGUQIPSG-JTQLQIEISA-N 1 0 295.343 -1.752 20 30 CAEDRO C[C@]1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CNC(=O)C1 ZINC001163090418 780055312 /nfs/dbraw/zinc/05/53/12/780055312.db2.gz YGZVVNTVZKDDGI-CYBMUJFWSA-N 1 0 295.343 -1.752 20 30 CAEDRO C[C@@]1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CNC(=O)C1 ZINC001163090419 780055927 /nfs/dbraw/zinc/05/59/27/780055927.db2.gz YGZVVNTVZKDDGI-ZDUSSCGKSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CCn1ncn(C)c1=O ZINC001163203488 780055944 /nfs/dbraw/zinc/05/59/44/780055944.db2.gz BZPKKAJJZCDFRD-UHFFFAOYSA-N 1 0 265.317 -1.299 20 30 CAEDRO C=C(C)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163284222 780058053 /nfs/dbraw/zinc/05/80/53/780058053.db2.gz XIYJBESNLLRXBJ-UHFFFAOYSA-N 1 0 278.378 -1.288 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163290741 780058236 /nfs/dbraw/zinc/05/82/36/780058236.db2.gz OQYWTLKLWPZUMA-UHFFFAOYSA-N 1 0 262.335 -2.231 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1[nH]nnc1C ZINC001163745567 780060405 /nfs/dbraw/zinc/06/04/05/780060405.db2.gz YHSGAGGOCJHVEJ-JTQLQIEISA-N 1 0 292.343 -1.039 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CN1CCNC(=O)C1 ZINC001163874074 780061845 /nfs/dbraw/zinc/06/18/45/780061845.db2.gz OWYJHRSDMMAZRJ-UHFFFAOYSA-N 1 0 254.334 -1.300 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001163912300 780062799 /nfs/dbraw/zinc/06/27/99/780062799.db2.gz DYGFVXSBGRECLA-UWVGGRQHSA-N 1 0 295.343 -1.766 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001163912302 780062845 /nfs/dbraw/zinc/06/28/45/780062845.db2.gz DYGFVXSBGRECLA-ZJUUUORDSA-N 1 0 295.343 -1.766 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001163912826 780063287 /nfs/dbraw/zinc/06/32/87/780063287.db2.gz ODANXYUVUHMYMD-QWRGUYRKSA-N 1 0 296.371 -1.104 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)CC(N)=O ZINC001163912539 780063314 /nfs/dbraw/zinc/06/33/14/780063314.db2.gz HWKMZWLRPSHJRN-SNVBAGLBSA-N 1 0 284.360 -1.104 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)CC(N)=O ZINC001163905127 780063332 /nfs/dbraw/zinc/06/33/32/780063332.db2.gz MOPANCFIBDFITR-WDEREUQCSA-N 1 0 296.371 -1.268 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001163912824 780063335 /nfs/dbraw/zinc/06/33/35/780063335.db2.gz ODANXYUVUHMYMD-GHMZBOCLSA-N 1 0 296.371 -1.104 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1(CCNC(=O)CC(N)=O)CC1 ZINC001163911747 780063342 /nfs/dbraw/zinc/06/33/42/780063342.db2.gz QLYWMNLHRHRCES-UHFFFAOYSA-N 1 0 295.343 -1.622 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)CC(N)=O ZINC001163905123 780063423 /nfs/dbraw/zinc/06/34/23/780063423.db2.gz MOPANCFIBDFITR-GHMZBOCLSA-N 1 0 296.371 -1.268 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)CC(N)=O ZINC001163905125 780063523 /nfs/dbraw/zinc/06/35/23/780063523.db2.gz MOPANCFIBDFITR-QWRGUYRKSA-N 1 0 296.371 -1.268 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163934954 780065786 /nfs/dbraw/zinc/06/57/86/780065786.db2.gz WBVRJUDHXGGQNV-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163934854 780066189 /nfs/dbraw/zinc/06/61/89/780066189.db2.gz RXWJOFWERVDKNT-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163934856 780066221 /nfs/dbraw/zinc/06/62/21/780066221.db2.gz RXWJOFWERVDKNT-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163943309 780066859 /nfs/dbraw/zinc/06/68/59/780066859.db2.gz AFKRFQIPIKFWAT-SNVBAGLBSA-N 1 0 282.344 -1.479 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164163318 780071021 /nfs/dbraw/zinc/07/10/21/780071021.db2.gz OVNXOWCXTOZZHG-VIFPVBQESA-N 1 0 293.331 -1.943 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCN(C)C1=O ZINC001164288493 780071670 /nfs/dbraw/zinc/07/16/70/780071670.db2.gz HVTFIQLWYLPDFN-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@]1(F)CCOC1 ZINC001164567228 780075163 /nfs/dbraw/zinc/07/51/63/780075163.db2.gz PKZTZVKGELJLAF-GFCCVEGCSA-N 1 0 286.307 -1.149 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(=O)cn1 ZINC001165286002 780077458 /nfs/dbraw/zinc/07/74/58/780077458.db2.gz CSPUXLJZYZSIPK-UHFFFAOYSA-N 1 0 293.327 -1.218 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165595917 780083068 /nfs/dbraw/zinc/08/30/68/780083068.db2.gz FXJMREYNFRDERO-UHFFFAOYSA-N 1 0 280.328 -1.903 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)C(N)=O)C1=O ZINC001165619137 780085086 /nfs/dbraw/zinc/08/50/86/780085086.db2.gz PQXOXBQWVSVDEM-VIFPVBQESA-N 1 0 268.317 -1.646 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)C(N)=O ZINC001165645427 780087443 /nfs/dbraw/zinc/08/74/43/780087443.db2.gz JBPSTYQDBVAJTR-UHFFFAOYSA-N 1 0 282.344 -1.232 20 30 CAEDRO COC[C@@H](OC)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166141902 780089542 /nfs/dbraw/zinc/08/95/42/780089542.db2.gz FLXFFQWVBWJVPR-SNVBAGLBSA-N 1 0 286.332 -1.617 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166341793 780091687 /nfs/dbraw/zinc/09/16/87/780091687.db2.gz LLEUFUINKYKANT-UHFFFAOYSA-N 1 0 285.329 -1.600 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001166565009 780092325 /nfs/dbraw/zinc/09/23/25/780092325.db2.gz BHSTVMQUHJSUGD-NWDGAFQWSA-N 1 0 297.355 -1.235 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001166565683 780092644 /nfs/dbraw/zinc/09/26/44/780092644.db2.gz MPOAKZFUYIJZAK-VHSXEESVSA-N 1 0 253.302 -1.252 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166981416 780100160 /nfs/dbraw/zinc/10/01/60/780100160.db2.gz CHRRUTXOCAKNMJ-ZJUUUORDSA-N 1 0 298.343 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166949033 780100182 /nfs/dbraw/zinc/10/01/82/780100182.db2.gz LKNVQDATIKIQBG-UHFFFAOYSA-N 1 0 292.343 -1.417 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1CCN(C(=O)CC(N)=O)CC1 ZINC001204844599 780103869 /nfs/dbraw/zinc/10/38/69/780103869.db2.gz XMYVRPKCOWHERL-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC1CCN(C(=O)CC(N)=O)CC1 ZINC001204844563 780103944 /nfs/dbraw/zinc/10/39/44/780103944.db2.gz WFOKXZYOBOTASU-UHFFFAOYSA-N 1 0 296.371 -1.008 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895646 780107818 /nfs/dbraw/zinc/10/78/18/780107818.db2.gz DDYONDRJHJDQLS-VXGBXAGGSA-N 1 0 292.343 -1.241 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937116 780108352 /nfs/dbraw/zinc/10/83/52/780108352.db2.gz KJGGQFOFUKSQQE-GHMZBOCLSA-N 1 0 282.344 -1.259 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206105534 780109849 /nfs/dbraw/zinc/10/98/49/780109849.db2.gz MDLZZYAEUIMEJL-SNVBAGLBSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)COC)C1 ZINC001206981014 780114392 /nfs/dbraw/zinc/11/43/92/780114392.db2.gz VPCNIVIRQUNIBK-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207222483 780116150 /nfs/dbraw/zinc/11/61/50/780116150.db2.gz PUXRELJDJWQETK-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO CC(=O)NCC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207101859 780116158 /nfs/dbraw/zinc/11/61/58/780116158.db2.gz VTXRCONZNDFZOZ-NSHDSACASA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207298463 780117106 /nfs/dbraw/zinc/11/71/06/780117106.db2.gz OYWZAFTVKVITNR-GHMZBOCLSA-N 1 0 287.385 -1.053 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259034 780117374 /nfs/dbraw/zinc/11/73/74/780117374.db2.gz VUCLNMRKMADRSE-VIFPVBQESA-N 1 0 296.331 -2.125 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207688479 780119346 /nfs/dbraw/zinc/11/93/46/780119346.db2.gz PPMIAPKBIOCARX-BDAKNGLRSA-N 1 0 281.316 -1.078 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724575 780119552 /nfs/dbraw/zinc/11/95/52/780119552.db2.gz AJVMRVWXFVTQKT-SNVBAGLBSA-N 1 0 280.328 -1.808 20 30 CAEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001207740687 780120564 /nfs/dbraw/zinc/12/05/64/780120564.db2.gz ZZJPTVBNQPZABQ-ZYHUDNBSSA-N 1 0 296.371 -1.139 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208055836 780123630 /nfs/dbraw/zinc/12/36/30/780123630.db2.gz GORAZDIUEZZFSI-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208444940 780126952 /nfs/dbraw/zinc/12/69/52/780126952.db2.gz LPIBGBVYYQYBBV-GRYCIOLGSA-N 1 0 294.355 -1.246 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001208483920 780128924 /nfs/dbraw/zinc/12/89/24/780128924.db2.gz XKMSJUPQLVUSTA-SNVBAGLBSA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001208483919 780129173 /nfs/dbraw/zinc/12/91/73/780129173.db2.gz XKMSJUPQLVUSTA-JTQLQIEISA-N 1 0 290.327 -1.252 20 30 CAEDRO C=CC[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208769171 780129765 /nfs/dbraw/zinc/12/97/65/780129765.db2.gz IKLSZZIUQQSGDO-JTQLQIEISA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208768685 780129948 /nfs/dbraw/zinc/12/99/48/780129948.db2.gz GRQOCWGBASNSRJ-JTQLQIEISA-N 1 0 288.373 -1.746 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209315279 780133125 /nfs/dbraw/zinc/13/31/25/780133125.db2.gz PZCUFBJHHFNRKR-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209356742 780133351 /nfs/dbraw/zinc/13/33/51/780133351.db2.gz QQTUKRYPBWHODI-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209356738 780133369 /nfs/dbraw/zinc/13/33/69/780133369.db2.gz QQTUKRYPBWHODI-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209354477 780133461 /nfs/dbraw/zinc/13/34/61/780133461.db2.gz CTMXPHAAMQGWAS-SECBINFHSA-N 1 0 266.301 -2.198 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209315278 780133478 /nfs/dbraw/zinc/13/34/78/780133478.db2.gz PZCUFBJHHFNRKR-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209367252 780134445 /nfs/dbraw/zinc/13/44/45/780134445.db2.gz ZWSVYVBLLDYCKZ-UWVGGRQHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385512 780134841 /nfs/dbraw/zinc/13/48/41/780134841.db2.gz FEGQMEXIMHDKCF-VIFPVBQESA-N 1 0 268.317 -1.646 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366554 780134864 /nfs/dbraw/zinc/13/48/64/780134864.db2.gz QYTQQTFYZNQPEG-VHSXEESVSA-N 1 0 280.328 -1.810 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001210198431 780137414 /nfs/dbraw/zinc/13/74/14/780137414.db2.gz MEEXEGTUDVHTNF-SECBINFHSA-N 1 0 291.315 -1.361 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209972718 780137849 /nfs/dbraw/zinc/13/78/49/780137849.db2.gz IMYVTQFCDMCSMK-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209972721 780138140 /nfs/dbraw/zinc/13/81/40/780138140.db2.gz IMYVTQFCDMCSMK-RYUDHWBXSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001210197995 780138214 /nfs/dbraw/zinc/13/82/14/780138214.db2.gz GNLGEWBDDUUNOS-JTQLQIEISA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C1CC1 ZINC001276686038 780139959 /nfs/dbraw/zinc/13/99/59/780139959.db2.gz BDVCGCSQHJPHIJ-NSHDSACASA-N 1 0 292.339 -1.002 20 30 CAEDRO COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214005129 780148574 /nfs/dbraw/zinc/14/85/74/780148574.db2.gz HVSXUZOLVKQVGZ-NXEZZACHSA-N 1 0 268.317 -1.291 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120596 780149111 /nfs/dbraw/zinc/14/91/11/780149111.db2.gz KVENIVFYTPYDRL-NXEZZACHSA-N 1 0 297.359 -1.607 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001214105078 780149748 /nfs/dbraw/zinc/14/97/48/780149748.db2.gz XJJGFIDLLSYUQM-VXGBXAGGSA-N 1 0 292.343 -1.241 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120804 780150014 /nfs/dbraw/zinc/15/00/14/780150014.db2.gz VORIHMVORIJGKP-GHMZBOCLSA-N 1 0 282.344 -1.259 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214375585 780150817 /nfs/dbraw/zinc/15/08/17/780150817.db2.gz RELWSAMGOPGOAR-NXEZZACHSA-N 1 0 282.344 -1.400 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214373178 780151174 /nfs/dbraw/zinc/15/11/74/780151174.db2.gz OGBHFRAWBHIFLY-GMTAPVOTSA-N 1 0 294.355 -1.564 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001214474020 780152380 /nfs/dbraw/zinc/15/23/80/780152380.db2.gz WZTRYUFUUBYDQI-OUAUKWLOSA-N 1 0 294.355 -1.564 20 30 CAEDRO CNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214499757 780152548 /nfs/dbraw/zinc/15/25/48/780152548.db2.gz XDKNXLJESJUSMB-NXEZZACHSA-N 1 0 295.343 -1.801 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001214605103 780153339 /nfs/dbraw/zinc/15/33/39/780153339.db2.gz VXHFYBAFEBDNKJ-OUAUKWLOSA-N 1 0 267.329 -1.054 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C ZINC001214760126 780154091 /nfs/dbraw/zinc/15/40/91/780154091.db2.gz RQBLIGUQCKEJEB-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C ZINC001214763803 780154418 /nfs/dbraw/zinc/15/44/18/780154418.db2.gz ILUKMOJYQLOZFT-GHMZBOCLSA-N 1 0 287.385 -1.053 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001214988162 780155294 /nfs/dbraw/zinc/15/52/94/780155294.db2.gz MRHMSCHQUYZTBC-ZYHUDNBSSA-N 1 0 296.371 -1.139 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001215303121 780155716 /nfs/dbraw/zinc/15/57/16/780155716.db2.gz QDNDAARKHNMFHZ-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C ZINC001215797996 780156993 /nfs/dbraw/zinc/15/69/93/780156993.db2.gz LQEMPRYNHIRYMA-ADEWGFFLSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001216011867 780158093 /nfs/dbraw/zinc/15/80/93/780158093.db2.gz FBLAAORKKXUCBR-MWLCHTKSSA-N 1 0 291.311 -1.131 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(C)=O)CCO1 ZINC001276748583 780158921 /nfs/dbraw/zinc/15/89/21/780158921.db2.gz LZCNWFIGCINWLK-ZYHUDNBSSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(C)=O)CCO1 ZINC001276748580 780159875 /nfs/dbraw/zinc/15/98/75/780159875.db2.gz LZCNWFIGCINWLK-JQWIXIFHSA-N 1 0 267.329 -1.039 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CC ZINC001276752887 780161282 /nfs/dbraw/zinc/16/12/82/780161282.db2.gz VUGGBHPYYIBASA-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001217684796 780163019 /nfs/dbraw/zinc/16/30/19/780163019.db2.gz XPCKPGUFJYSYCC-NWDGAFQWSA-N 1 0 295.339 -1.970 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001276769593 780164377 /nfs/dbraw/zinc/16/43/77/780164377.db2.gz PBHUTGBIAQGMJC-RYUDHWBXSA-N 1 0 292.343 -1.098 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001276769592 780164676 /nfs/dbraw/zinc/16/46/76/780164676.db2.gz PBHUTGBIAQGMJC-NWDGAFQWSA-N 1 0 292.343 -1.098 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)NC)[C@H]2C1 ZINC001218075796 780164732 /nfs/dbraw/zinc/16/47/32/780164732.db2.gz WGGWVZLXALCQMS-NWDGAFQWSA-N 1 0 294.355 -1.150 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cnc(C#N)cn1 ZINC001218503491 780165899 /nfs/dbraw/zinc/16/58/99/780165899.db2.gz HHNNXXFTPNMANB-XPUUQOCRSA-N 1 0 278.272 -1.889 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218517459 780166809 /nfs/dbraw/zinc/16/68/09/780166809.db2.gz NMCCKIGNZAYXEG-HCWXCVPCSA-N 1 0 281.276 -1.855 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218516425 780166891 /nfs/dbraw/zinc/16/68/91/780166891.db2.gz IXCRRASWUDFEMD-LYFYHCNISA-N 1 0 296.287 -1.038 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218516438 780167263 /nfs/dbraw/zinc/16/72/63/780167263.db2.gz JABASBKAJAVGNB-RXMQYKEDSA-N 1 0 297.275 -2.475 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@@H]1COCCN1 ZINC001218516550 780167373 /nfs/dbraw/zinc/16/73/73/780167373.db2.gz AKCGNELPSSRFII-BYPYZUCNSA-N 1 0 256.222 -1.817 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)C1(N)CC[NH2+]CC1 ZINC001218516312 780167416 /nfs/dbraw/zinc/16/74/16/780167416.db2.gz DVOXMEMYEULBFX-UHFFFAOYSA-N 1 0 269.265 -1.724 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)CN1CC[NH2+]CC1 ZINC001218517939 780167590 /nfs/dbraw/zinc/16/75/90/780167590.db2.gz PPLCAYWDERQHRU-UHFFFAOYSA-N 1 0 269.265 -1.900 20 30 CAEDRO C#Cc1cc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)ccn1 ZINC001218524990 780168344 /nfs/dbraw/zinc/16/83/44/780168344.db2.gz QQDXYXQQFCMULZ-KWQFWETISA-N 1 0 276.296 -1.752 20 30 CAEDRO C#Cc1cc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)ccn1 ZINC001218519755 780169260 /nfs/dbraw/zinc/16/92/60/780169260.db2.gz DMYYNOORDOSCCF-LBPRGKRZSA-N 1 0 272.308 -1.246 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)nc1C#N ZINC001218594803 780173171 /nfs/dbraw/zinc/17/31/71/780173171.db2.gz JIOJORBITYELFE-YUMQZZPRSA-N 1 0 273.256 -1.537 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)CNCC[NH3+])nc1C#N ZINC001218595999 780173455 /nfs/dbraw/zinc/17/34/55/780173455.db2.gz TZKHOZAVUQVPHE-UHFFFAOYSA-N 1 0 260.261 -1.711 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)nc1C#N ZINC001218594181 780173256 /nfs/dbraw/zinc/17/32/56/780173256.db2.gz AMALFFGFRULKMK-MHYGZLNHSA-N 1 0 298.310 -1.309 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)nc1C#N ZINC001218596104 780173457 /nfs/dbraw/zinc/17/34/57/780173457.db2.gz UWNDVUSIWWBSNR-PHDIDXHHSA-N 1 0 273.256 -1.537 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)nc1C#N ZINC001218594517 780173498 /nfs/dbraw/zinc/17/34/98/780173498.db2.gz GDUHTLFVVWCVDI-UHLUBPPHSA-N 1 0 298.310 -1.308 20 30 CAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H](N)CC[NH3+])c1N ZINC001218596649 780174910 /nfs/dbraw/zinc/17/49/10/780174910.db2.gz KZPADKMNEFXOBC-QMMMGPOBSA-N 1 0 290.331 -1.701 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791606 780178156 /nfs/dbraw/zinc/17/81/56/780178156.db2.gz WEMQWULWFZGZGX-UWVGGRQHSA-N 1 0 296.327 -2.573 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001218637133 780178516 /nfs/dbraw/zinc/17/85/16/780178516.db2.gz GAUCZYHEWAIVQQ-VHSXEESVSA-N 1 0 297.278 -1.009 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218637134 780178724 /nfs/dbraw/zinc/17/87/24/780178724.db2.gz GAUCZYHEWAIVQQ-ZJUUUORDSA-N 1 0 297.278 -1.009 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H](N)C[NH3+] ZINC001218638375 780178885 /nfs/dbraw/zinc/17/88/85/780178885.db2.gz ZSTFXQAEYFYXBS-QMMMGPOBSA-N 1 0 270.256 -1.303 20 30 CAEDRO N#Cc1n[nH]cc1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218656530 780179918 /nfs/dbraw/zinc/17/99/18/780179918.db2.gz XJAOEJZJOPCQKH-SECBINFHSA-N 1 0 262.273 -1.450 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)n1nc(N)c(C#N)c1N ZINC001218661098 780180190 /nfs/dbraw/zinc/18/01/90/780180190.db2.gz UORTWPZFFWVCOM-QQOXFEPMSA-N 1 0 270.318 -1.345 20 30 CAEDRO C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791898 780180253 /nfs/dbraw/zinc/18/02/53/780180253.db2.gz YBTRVCIHFYLDEU-VHSXEESVSA-N 1 0 253.302 -1.300 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)c1N ZINC001218661208 780180304 /nfs/dbraw/zinc/18/03/04/780180304.db2.gz XSBXITQEBKNDBQ-SECBINFHSA-N 1 0 292.347 -1.690 20 30 CAEDRO N#Cc1n[nH]cc1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218656531 780180414 /nfs/dbraw/zinc/18/04/14/780180414.db2.gz XJAOEJZJOPCQKH-VIFPVBQESA-N 1 0 262.273 -1.450 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)c(C#C)n1 ZINC001218657617 780180499 /nfs/dbraw/zinc/18/04/99/780180499.db2.gz PIJFBXZERBLEOS-MWLCHTKSSA-N 1 0 256.265 -1.042 20 30 CAEDRO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 ZINC001218970558 780185920 /nfs/dbraw/zinc/18/59/20/780185920.db2.gz JQPYWVRFIVBAFD-QWHCGFSZSA-N 1 0 296.371 -1.000 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112090 780194191 /nfs/dbraw/zinc/19/41/91/780194191.db2.gz TWRYOQWTAQJILP-MNOVXSKESA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219110687 780194444 /nfs/dbraw/zinc/19/44/44/780194444.db2.gz VNTFUYNQUAJIBG-MNOVXSKESA-N 1 0 253.302 -1.693 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151273 780196396 /nfs/dbraw/zinc/19/63/96/780196396.db2.gz IKJDGQTXPDVMKO-WCQGTBRESA-N 1 0 267.329 -1.304 20 30 CAEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158645 780196910 /nfs/dbraw/zinc/19/69/10/780196910.db2.gz LCQWXEDIEOQTRM-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219159002 780197191 /nfs/dbraw/zinc/19/71/91/780197191.db2.gz YYLRDFJZFPSURE-MNOVXSKESA-N 1 0 296.331 -1.963 20 30 CAEDRO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219169223 780197788 /nfs/dbraw/zinc/19/77/88/780197788.db2.gz ZHONIKQSZDXHDL-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001219363799 780213182 /nfs/dbraw/zinc/21/31/82/780213182.db2.gz KZHKXOHGBZRKDM-MNOVXSKESA-N 1 0 258.318 -1.003 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 ZINC001219376194 780215066 /nfs/dbraw/zinc/21/50/66/780215066.db2.gz SNWUMOJOXAESRD-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC=C)C[C@@H]1O ZINC001219492599 780222602 /nfs/dbraw/zinc/22/26/02/780222602.db2.gz SKAFPWHQKRESQK-NEPJUHHUSA-N 1 0 279.340 -1.137 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1O ZINC001219492418 780222675 /nfs/dbraw/zinc/22/26/75/780222675.db2.gz LAGMSMPFERUGEP-ZJUUUORDSA-N 1 0 253.302 -1.693 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001219487224 780222947 /nfs/dbraw/zinc/22/29/47/780222947.db2.gz HSBYHSBWFACFQV-AXFHLTTASA-N 1 0 283.328 -2.332 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCC)C[C@@H]1O ZINC001219492733 780223665 /nfs/dbraw/zinc/22/36/65/780223665.db2.gz YAWRUYDXYFVLKX-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219535927 780228530 /nfs/dbraw/zinc/22/85/30/780228530.db2.gz ICRLTDRBSMWFEK-NTZNESFSSA-N 1 0 272.345 -1.143 20 30 CAEDRO C#CCCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219539448 780228589 /nfs/dbraw/zinc/22/85/89/780228589.db2.gz LSDIFISIWPTUAU-OLZOCXBDSA-N 1 0 284.356 -1.040 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC001219573005 780234220 /nfs/dbraw/zinc/23/42/20/780234220.db2.gz DFJANQLZOJJHBC-LBPRGKRZSA-N 1 0 253.302 -1.298 20 30 CAEDRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591521 780234922 /nfs/dbraw/zinc/23/49/22/780234922.db2.gz IOLLATOGYHMYKR-XQQFMLRXSA-N 1 0 282.340 -1.432 20 30 CAEDRO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219594424 780235770 /nfs/dbraw/zinc/23/57/70/780235770.db2.gz LDQVGVIVCIEAHI-NEPJUHHUSA-N 1 0 252.314 -1.057 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219607542 780236393 /nfs/dbraw/zinc/23/63/93/780236393.db2.gz RIFJBVNCNZILBN-UTUOFQBUSA-N 1 0 270.329 -1.432 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219609260 780237966 /nfs/dbraw/zinc/23/79/66/780237966.db2.gz JDVNBAIBNMLJOQ-UTUOFQBUSA-N 1 0 270.329 -1.432 20 30 CAEDRO N#CCCNCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622154 780241954 /nfs/dbraw/zinc/24/19/54/780241954.db2.gz OOUKIPIBYJXHTE-GXSJLCMTSA-N 1 0 258.297 -1.332 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC1(C#N)CCC1 ZINC001219632060 780243110 /nfs/dbraw/zinc/24/31/10/780243110.db2.gz GIJITLNAKRJSLD-IUCAKERBSA-N 1 0 268.317 -1.379 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638511 780245512 /nfs/dbraw/zinc/24/55/12/780245512.db2.gz WKWBAOBWSLQGTN-MNOVXSKESA-N 1 0 296.331 -1.963 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219674864 780247542 /nfs/dbraw/zinc/24/75/42/780247542.db2.gz FNHHMMZDMWUNLK-TUAOUCFPSA-N 1 0 297.355 -1.678 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220036850 780296072 /nfs/dbraw/zinc/29/60/72/780296072.db2.gz XYOMAGCRVFXPMW-XVKPBYJWSA-N 1 0 261.347 -1.345 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219741010 780254905 /nfs/dbraw/zinc/25/49/05/780254905.db2.gz WCPAXNNJPBKMNW-NEPJUHHUSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219741009 780255696 /nfs/dbraw/zinc/25/56/96/780255696.db2.gz VXUTWRQGAPOPAK-NEPJUHHUSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219846822 780267824 /nfs/dbraw/zinc/26/78/24/780267824.db2.gz FSGYMAHLJDGIJP-ZJUUUORDSA-N 1 0 267.329 -1.318 20 30 CAEDRO C=C(C)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219879361 780271728 /nfs/dbraw/zinc/27/17/28/780271728.db2.gz DWQDTSRBWKENPG-YUMQZZPRSA-N 1 0 256.306 -1.614 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1=CC(=O)CCC1 ZINC001219885096 780273424 /nfs/dbraw/zinc/27/34/24/780273424.db2.gz HFJMXKKFTQXOFW-XVKPBYJWSA-N 1 0 296.327 -1.553 20 30 CAEDRO C#CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219880131 780273500 /nfs/dbraw/zinc/27/35/00/780273500.db2.gz VVCQZUHMBDPRPH-UWVGGRQHSA-N 1 0 280.328 -1.810 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220036886 780295476 /nfs/dbraw/zinc/29/54/76/780295476.db2.gz ZAGWUGQZIVKCHC-YUMQZZPRSA-N 1 0 272.330 -1.133 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220036773 780295777 /nfs/dbraw/zinc/29/57/77/780295777.db2.gz VLJPUOCULNRSJU-FYBVGQRMSA-N 1 0 273.358 -1.475 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220036658 780295810 /nfs/dbraw/zinc/29/58/10/780295810.db2.gz SAQZNQYZUWIYTG-RQJHMYQMSA-N 1 0 292.361 -1.650 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220036121 780295900 /nfs/dbraw/zinc/29/59/00/780295900.db2.gz JZGRJKHFLIFBPQ-SFYZADRCSA-N 1 0 262.331 -1.048 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220035876 780295956 /nfs/dbraw/zinc/29/59/56/780295956.db2.gz HJZVBAVQRHQWGP-SFYZADRCSA-N 1 0 289.357 -2.096 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220036775 780296240 /nfs/dbraw/zinc/29/62/40/780296240.db2.gz VLJPUOCULNRSJU-VHSKPIJISA-N 1 0 273.358 -1.475 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220043213 780297613 /nfs/dbraw/zinc/29/76/13/780297613.db2.gz JKCQIZJXXRGOFZ-ZJUUUORDSA-N 1 0 254.334 -1.126 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220043238 780298001 /nfs/dbraw/zinc/29/80/01/780298001.db2.gz KKBFNEVWUGIOMB-NSHDSACASA-N 1 0 296.371 -1.485 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220043528 780298104 /nfs/dbraw/zinc/29/81/04/780298104.db2.gz VJAMBEXMCCUVMA-NXEZZACHSA-N 1 0 255.318 -1.092 20 30 CAEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC(CO)(CO)CO ZINC001220107790 780303602 /nfs/dbraw/zinc/30/36/02/780303602.db2.gz AKPZWWLFGKQSGU-LBPRGKRZSA-N 1 0 293.323 -1.740 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220173393 780315630 /nfs/dbraw/zinc/31/56/30/780315630.db2.gz NEFBDSRQNFJMQI-KOLCDFICSA-N 1 0 254.286 -1.015 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257674 780326686 /nfs/dbraw/zinc/32/66/86/780326686.db2.gz JNYOUXXYIUQRRC-ZJUUUORDSA-N 1 0 265.313 -1.564 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257936 780328863 /nfs/dbraw/zinc/32/88/63/780328863.db2.gz WDWXNOKWQJIBCJ-ZJUUUORDSA-N 1 0 267.329 -1.011 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](O)C1 ZINC001220317932 780336473 /nfs/dbraw/zinc/33/64/73/780336473.db2.gz ASOLNVBMYIUSDX-WOPDTQHZSA-N 1 0 270.329 -1.168 20 30 CAEDRO COc1ccc(C(=NC(=O)[C@@H]2C[NH2+]C[C@H]2O)NO)nc1 ZINC001220376900 780341850 /nfs/dbraw/zinc/34/18/50/780341850.db2.gz CLDYLLPURKSWBO-PSASIEDQSA-N 1 0 280.284 -1.078 20 30 CAEDRO COc1ccc(C(=NC(=O)[C@H]2C[NH2+]C[C@@H]2N)NO)nc1 ZINC001220377355 780342812 /nfs/dbraw/zinc/34/28/12/780342812.db2.gz UAKYSXZXDZGAIF-IUCAKERBSA-N 1 0 279.300 -1.111 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](O)C1 ZINC001220391210 780344140 /nfs/dbraw/zinc/34/41/40/780344140.db2.gz DZAAPAMWGGEKRF-NEPJUHHUSA-N 1 0 277.328 -1.078 20 30 CAEDRO C=C[C@@H](CO)NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220392717 780344170 /nfs/dbraw/zinc/34/41/70/780344170.db2.gz JWXWCSDIKOISKX-UWVGGRQHSA-N 1 0 287.360 -1.092 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220415198 780346473 /nfs/dbraw/zinc/34/64/73/780346473.db2.gz AMFGMZGGZKEAHL-LLVKDONJSA-N 1 0 278.272 -1.001 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220415828 780346485 /nfs/dbraw/zinc/34/64/85/780346485.db2.gz YVNIWBGIBJVUQB-SFYZADRCSA-N 1 0 278.272 -1.003 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H](N)CC[NH3+] ZINC001220415845 780346967 /nfs/dbraw/zinc/34/69/67/780346967.db2.gz ZWIYDJFTPUUDFD-ZETCQYMHSA-N 1 0 266.261 -1.016 20 30 CAEDRO C#C[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220458475 780350133 /nfs/dbraw/zinc/35/01/33/780350133.db2.gz SKTLREBVCFYJAU-QMMMGPOBSA-N 1 0 297.315 -3.568 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC(C)(C)S ZINC001220487502 780352796 /nfs/dbraw/zinc/35/27/96/780352796.db2.gz UOQSJBUOWXGZGS-BQBZGAKWSA-N 1 0 290.389 -1.482 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220499171 780354331 /nfs/dbraw/zinc/35/43/31/780354331.db2.gz TXNISKFDJFNQSA-DTWKUNHWSA-N 1 0 282.300 -2.112 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220499173 780354500 /nfs/dbraw/zinc/35/45/00/780354500.db2.gz TXNISKFDJFNQSA-RKDXNWHRSA-N 1 0 282.300 -2.112 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220499094 780354739 /nfs/dbraw/zinc/35/47/39/780354739.db2.gz RFEORYWPGURIOO-LPDMDUEVSA-N 1 0 275.330 -1.346 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)C1(N)CC[NH2+]CC1 ZINC001220499303 780354785 /nfs/dbraw/zinc/35/47/85/780354785.db2.gz WMRXXWIDMMOUMC-MRVPVSSYSA-N 1 0 254.290 -1.361 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220499346 780354802 /nfs/dbraw/zinc/35/48/02/780354802.db2.gz WRGNAZYXXSOJNH-LDYMZIIASA-N 1 0 254.290 -1.361 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220499395 780355250 /nfs/dbraw/zinc/35/52/50/780355250.db2.gz XTQDMCQWRNDUOZ-HNBLOZHYSA-N 1 0 266.301 -1.220 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220499345 780355887 /nfs/dbraw/zinc/35/58/87/780355887.db2.gz WRGNAZYXXSOJNH-KWQFWETISA-N 1 0 254.290 -1.361 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508799 780357989 /nfs/dbraw/zinc/35/79/89/780357989.db2.gz YGKIOMOPPMTFKO-MNOVXSKESA-N 1 0 267.329 -1.351 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C#N)C(N)=O ZINC001220528077 780360489 /nfs/dbraw/zinc/36/04/89/780360489.db2.gz YIEGFAZHAPWEBH-HCWXCVPCSA-N 1 0 284.276 -3.813 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C(N)=O ZINC001220527770 780360810 /nfs/dbraw/zinc/36/08/10/780360810.db2.gz ONGOSFNSTOSKFG-BQBZGAKWSA-N 1 0 253.262 -3.190 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C(N)=O ZINC001220528056 780361307 /nfs/dbraw/zinc/36/13/07/780361307.db2.gz XRNDQZRKITWYMZ-MXWKQRLJSA-N 1 0 279.344 -1.446 20 30 CAEDRO N#C[C@H](NC(=O)[C@H]([NH3+])Cc1cccc(O)c1)C(N)=O ZINC001220526904 780360837 /nfs/dbraw/zinc/36/08/37/780360837.db2.gz ALSCMDLPEVCSQT-ZJUUUORDSA-N 1 0 262.269 -1.244 20 30 CAEDRO N#C[C@H](NC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C(N)=O ZINC001220528054 780361494 /nfs/dbraw/zinc/36/14/94/780361494.db2.gz XRNDQZRKITWYMZ-AXFHLTTASA-N 1 0 279.344 -1.446 20 30 CAEDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C#N)C(N)=O ZINC001220527629 780361662 /nfs/dbraw/zinc/36/16/62/780361662.db2.gz LDDLVRTXCBJLFS-YUMQZZPRSA-N 1 0 299.331 -2.261 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)C(N)=O ZINC001220528057 780361759 /nfs/dbraw/zinc/36/17/59/780361759.db2.gz XRNDQZRKITWYMZ-VWYCJHECSA-N 1 0 279.344 -1.446 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](C#N)C(N)=O ZINC001220527801 780362038 /nfs/dbraw/zinc/36/20/38/780362038.db2.gz PADOPFHGIOBVOM-LURJTMIESA-N 1 0 277.306 -3.300 20 30 CAEDRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)C(N)=O ZINC001220528001 780361882 /nfs/dbraw/zinc/36/18/82/780361882.db2.gz WDHDXAVZXYSMBG-YUMQZZPRSA-N 1 0 284.316 -1.200 20 30 CAEDRO N#C[C@@H](NC(=O)[C@H]([NH3+])Cc1cccc(O)c1)C(N)=O ZINC001220526901 780362023 /nfs/dbraw/zinc/36/20/23/780362023.db2.gz ALSCMDLPEVCSQT-NXEZZACHSA-N 1 0 262.269 -1.244 20 30 CAEDRO N=C(NC(=O)[C@@H]1C[NH2+]CCN1)c1ccc(C(N)=O)cc1 ZINC001220643508 780370948 /nfs/dbraw/zinc/37/09/48/780370948.db2.gz IHWLGKCQSDAVLB-JTQLQIEISA-N 1 0 275.312 -1.421 20 30 CAEDRO N=C(NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(C(N)=O)cc1 ZINC001220643388 780371516 /nfs/dbraw/zinc/37/15/16/780371516.db2.gz CQSNYKNSXPNUQH-UWVGGRQHSA-N 1 0 276.296 -1.260 20 30 CAEDRO NC(=O)c1ccc(C(N)=NC(=O)[C@@]2(N)CC[NH2+]C2)cc1 ZINC001220643422 780371603 /nfs/dbraw/zinc/37/16/03/780371603.db2.gz DQYYDQNREGDXDD-CYBMUJFWSA-N 1 0 275.312 -1.292 20 30 CAEDRO NC(=O)c1ccc(C(=[NH2+])NC([O-])=C[C@@H](O)C[NH3+])cc1 ZINC001220643944 780371696 /nfs/dbraw/zinc/37/16/96/780371696.db2.gz YVCNALWKDUKQLA-SECBINFHSA-N 1 0 264.285 -1.273 20 30 CAEDRO NC(=O)c1ccc(C(N)=NC(=O)CN2CC[NH2+]CC2)cc1 ZINC001220643735 780371710 /nfs/dbraw/zinc/37/17/10/780371710.db2.gz QQIFKTDTKZPHJA-UHFFFAOYSA-N 1 0 289.339 -1.077 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606345 780371943 /nfs/dbraw/zinc/37/19/43/780371943.db2.gz PDKWWIMCKFJAQB-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)c1ccc(C(N)=O)cc1 ZINC001220643401 780372044 /nfs/dbraw/zinc/37/20/44/780372044.db2.gz CYJMOILPDBPZCO-ZJUUUORDSA-N 1 0 275.312 -1.293 20 30 CAEDRO N=C(NC(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(C(N)=O)cc1 ZINC001220643330 780372663 /nfs/dbraw/zinc/37/26/63/780372663.db2.gz ARJSUZUTFZSHCX-UWVGGRQHSA-N 1 0 276.296 -1.260 20 30 CAEDRO NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]C[C@@H]2N)cc1 ZINC001220643962 780372744 /nfs/dbraw/zinc/37/27/44/780372744.db2.gz ZNYRFMFPWFBEMR-UWVGGRQHSA-N 1 0 275.312 -1.436 20 30 CAEDRO CC(C)C[C@@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220702784 780373984 /nfs/dbraw/zinc/37/39/84/780373984.db2.gz HISHQPKSQRULDS-GUBZILKMSA-N 1 0 297.359 -1.252 20 30 CAEDRO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O ZINC001220767074 780380263 /nfs/dbraw/zinc/38/02/63/780380263.db2.gz MNYJYGNAOHCCKP-MNOVXSKESA-N 1 0 270.333 -1.751 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220767314 780381292 /nfs/dbraw/zinc/38/12/92/780381292.db2.gz ZCLNOKFJOWGKKX-NEPJUHHUSA-N 1 0 269.345 -1.641 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220799221 780383230 /nfs/dbraw/zinc/38/32/30/780383230.db2.gz ROHJKJJRMZXXTE-TUAOUCFPSA-N 1 0 295.339 -1.924 20 30 CAEDRO CCOC(=O)C1=C(NC(=O)[C@@H](N)CC#N)C[NH2+]C1 ZINC001220829032 780383991 /nfs/dbraw/zinc/38/39/91/780383991.db2.gz WENOPBDKBOIFDT-QMMMGPOBSA-N 1 0 252.274 -1.236 20 30 CAEDRO N#Cc1cnc(CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)s1 ZINC001220872541 780387958 /nfs/dbraw/zinc/38/79/58/780387958.db2.gz XZYWGDFAHJTGNL-VIFPVBQESA-N 1 0 293.352 -1.039 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1ncc(C#N)s1 ZINC001220872584 780391714 /nfs/dbraw/zinc/39/17/14/780391714.db2.gz ZRWKMAGMBFOURB-XPUUQOCRSA-N 1 0 297.340 -1.545 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921843 780396578 /nfs/dbraw/zinc/39/65/78/780396578.db2.gz QUUIVABSQBMIIO-NEPJUHHUSA-N 1 0 295.343 -1.358 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977936 780400375 /nfs/dbraw/zinc/40/03/75/780400375.db2.gz FPMRNWXMHVFQEV-KGLIPLIRSA-N 1 0 295.383 -1.107 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1(C#N)CCOCC1 ZINC001220967232 780400749 /nfs/dbraw/zinc/40/07/49/780400749.db2.gz WSSSGGMBLQUMAR-IUCAKERBSA-N 1 0 284.316 -2.000 20 30 CAEDRO N#CC1(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CCOCC1 ZINC001220966949 780401055 /nfs/dbraw/zinc/40/10/55/780401055.db2.gz LYKASYQJCGHCKM-JTQLQIEISA-N 1 0 280.328 -1.494 20 30 CAEDRO N#CC1(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CCOCC1 ZINC001220967241 780401112 /nfs/dbraw/zinc/40/11/12/780401112.db2.gz XCSYHNIQSGFSLE-SECBINFHSA-N 1 0 283.332 -1.049 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1ccc(C#N)nc1 ZINC001221089545 780404609 /nfs/dbraw/zinc/40/46/09/780404609.db2.gz QNCUHTQSNSDKNO-KWQFWETISA-N 1 0 291.311 -1.606 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001276931560 780432279 /nfs/dbraw/zinc/43/22/79/780432279.db2.gz LPGPWMJKHKSGLS-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001276931563 780432468 /nfs/dbraw/zinc/43/24/68/780432468.db2.gz LPGPWMJKHKSGLS-RYUDHWBXSA-N 1 0 294.355 -1.420 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224312944 780433518 /nfs/dbraw/zinc/43/35/18/780433518.db2.gz TXKJRKFIMHLFQW-JTQLQIEISA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CNC(C)=O)CC1 ZINC001276991350 780435379 /nfs/dbraw/zinc/43/53/79/780435379.db2.gz CGWMNGMXTRBHRF-SNVBAGLBSA-N 1 0 294.355 -1.501 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001277040052 780437746 /nfs/dbraw/zinc/43/77/46/780437746.db2.gz QOABBSTWVCCDPX-KYZUINATSA-N 1 0 268.317 -1.742 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225501621 780437874 /nfs/dbraw/zinc/43/78/74/780437874.db2.gz SVIXUSFVAVMYBJ-NXEZZACHSA-N 1 0 295.343 -1.481 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225492428 780438391 /nfs/dbraw/zinc/43/83/91/780438391.db2.gz LMBVFOCTCQWQJL-GHMZBOCLSA-N 1 0 294.355 -1.372 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001277094471 780442216 /nfs/dbraw/zinc/44/22/16/780442216.db2.gz WNMZOIAIVCXUFM-UHFFFAOYSA-N 1 0 294.355 -1.500 20 30 CAEDRO CNS(=O)(=O)CCNC(=O)NCC#CC[NH+](C)C ZINC001226525228 780443556 /nfs/dbraw/zinc/44/35/56/780443556.db2.gz FODKHFHWZIGUJE-UHFFFAOYSA-N 1 0 276.362 -1.600 20 30 CAEDRO C=CC[NH2+]C1(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001277189986 780446288 /nfs/dbraw/zinc/44/62/88/780446288.db2.gz UREYWOWDBXYZGZ-UHFFFAOYSA-N 1 0 294.311 -1.169 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001277176811 780446479 /nfs/dbraw/zinc/44/64/79/780446479.db2.gz DLWYDVRQYJGABY-BDAKNGLRSA-N 1 0 293.327 -2.014 20 30 CAEDRO CCO[C@H](CNC(=O)NCC(=O)NCC#N)C[NH+](C)C ZINC001227975349 780449589 /nfs/dbraw/zinc/44/95/89/780449589.db2.gz NPVJIYQHESWYAJ-SNVBAGLBSA-N 1 0 285.348 -1.108 20 30 CAEDRO C#CCC[NH2+]C1(CNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001277245580 780449649 /nfs/dbraw/zinc/44/96/49/780449649.db2.gz HIILWYZTOKECRH-UHFFFAOYSA-N 1 0 278.312 -1.200 20 30 CAEDRO C=CC[NH2+]C1(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001277259498 780449972 /nfs/dbraw/zinc/44/99/72/780449972.db2.gz OAIQUYFNNULOGX-UHFFFAOYSA-N 1 0 278.316 -1.199 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C(N)=O ZINC001277290986 780450596 /nfs/dbraw/zinc/45/05/96/780450596.db2.gz OALDGZOTXYQBSV-ZJUUUORDSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228278977 780450987 /nfs/dbraw/zinc/45/09/87/780450987.db2.gz YMCHZJSPDVPWHW-NXEZZACHSA-N 1 0 280.328 -1.762 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228296400 780451194 /nfs/dbraw/zinc/45/11/94/780451194.db2.gz TUXZUIJHDISBLZ-GMTAPVOTSA-N 1 0 294.355 -1.373 20 30 CAEDRO COCC#CC[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001228895604 780452104 /nfs/dbraw/zinc/45/21/04/780452104.db2.gz NNJVSPROELKTAH-GFCCVEGCSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228912191 780452886 /nfs/dbraw/zinc/45/28/86/780452886.db2.gz NCMWZMIHSYGQCE-SECBINFHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001229292955 780453430 /nfs/dbraw/zinc/45/34/30/780453430.db2.gz ZVSZUAUQDHQICR-GFCCVEGCSA-N 1 0 294.359 -1.107 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230620887 780457918 /nfs/dbraw/zinc/45/79/18/780457918.db2.gz DJTZJSOPMJSXQQ-LBPRGKRZSA-N 1 0 294.355 -1.595 20 30 CAEDRO C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230620750 780458085 /nfs/dbraw/zinc/45/80/85/780458085.db2.gz AMOHNISCBQHFPN-GFCCVEGCSA-N 1 0 296.371 -1.043 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1COC(=O)N1 ZINC001277488038 780462441 /nfs/dbraw/zinc/46/24/41/780462441.db2.gz VAFAYCNVGSFNTF-JTQLQIEISA-N 1 0 269.301 -1.207 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001233620013 780473303 /nfs/dbraw/zinc/47/33/03/780473303.db2.gz DYOLHFDGFQVWPV-JTQLQIEISA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705043 780473854 /nfs/dbraw/zinc/47/38/54/780473854.db2.gz BSSVYRZYGSSHLV-UHFFFAOYSA-N 1 0 283.332 -2.158 20 30 CAEDRO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001233818691 780474526 /nfs/dbraw/zinc/47/45/26/780474526.db2.gz HHYNNEUXHJIUDU-NSHDSACASA-N 1 0 267.329 -1.349 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233723470 780474894 /nfs/dbraw/zinc/47/48/94/780474894.db2.gz ZPXIEYOBLOMPRH-UHFFFAOYSA-N 1 0 285.348 -1.605 20 30 CAEDRO C#CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001233818690 780475594 /nfs/dbraw/zinc/47/55/94/780475594.db2.gz HHYNNEUXHJIUDU-LLVKDONJSA-N 1 0 267.329 -1.349 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CC(=O)NC ZINC001233881807 780476762 /nfs/dbraw/zinc/47/67/62/780476762.db2.gz TZCLDEKQDDKCLW-LLVKDONJSA-N 1 0 294.355 -1.595 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001277819134 780478423 /nfs/dbraw/zinc/47/84/23/780478423.db2.gz IDESNFCXQVIDNW-NXEZZACHSA-N 1 0 298.343 -1.344 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001277819137 780478576 /nfs/dbraw/zinc/47/85/76/780478576.db2.gz IDESNFCXQVIDNW-ZJUUUORDSA-N 1 0 298.343 -1.344 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001277819135 780478699 /nfs/dbraw/zinc/47/86/99/780478699.db2.gz IDESNFCXQVIDNW-UWVGGRQHSA-N 1 0 298.343 -1.344 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001277819136 780479003 /nfs/dbraw/zinc/47/90/03/780479003.db2.gz IDESNFCXQVIDNW-VHSXEESVSA-N 1 0 298.343 -1.344 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1COCCO1 ZINC001234223691 780480175 /nfs/dbraw/zinc/48/01/75/780480175.db2.gz BSEKPXDDBKCPFU-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC(N)=O ZINC001277830124 780480508 /nfs/dbraw/zinc/48/05/08/780480508.db2.gz BBWFCVFJFLEUKT-JTQLQIEISA-N 1 0 280.328 -1.808 20 30 CAEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001277863048 780485487 /nfs/dbraw/zinc/48/54/87/780485487.db2.gz MXLUSQCBVAXGJW-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001277863153 780486274 /nfs/dbraw/zinc/48/62/74/780486274.db2.gz NQGWCVZZDSZXSN-SNVBAGLBSA-N 1 0 284.360 -1.139 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001277891832 780487125 /nfs/dbraw/zinc/48/71/25/780487125.db2.gz BWPMXWQDXDMJDN-VIFPVBQESA-N 1 0 291.315 -1.361 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001277920580 780489325 /nfs/dbraw/zinc/48/93/25/780489325.db2.gz AEYBJYDZTNIDAQ-UWVGGRQHSA-N 1 0 297.359 -1.594 20 30 CAEDRO C#CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235471075 780490123 /nfs/dbraw/zinc/49/01/23/780490123.db2.gz MXBOMVMGCJVFOR-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001277922661 780490692 /nfs/dbraw/zinc/49/06/92/780490692.db2.gz PAMMFRDODVMZKO-IUCAKERBSA-N 1 0 296.331 -2.256 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cnon1 ZINC001277968652 780494482 /nfs/dbraw/zinc/49/44/82/780494482.db2.gz KHSZGVXUITXPKF-VIFPVBQESA-N 1 0 279.300 -1.131 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)CS(=O)(=O)NC ZINC001278018067 780498746 /nfs/dbraw/zinc/49/87/46/780498746.db2.gz VERAFENNDUESBN-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(C)=O)C1=O ZINC001278033375 780499260 /nfs/dbraw/zinc/49/92/60/780499260.db2.gz GQDOEZCMZHTTLJ-QWRGUYRKSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(C)=O)C1=O ZINC001278033373 780499276 /nfs/dbraw/zinc/49/92/76/780499276.db2.gz GQDOEZCMZHTTLJ-GHMZBOCLSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(C)=O)C1=O ZINC001278033374 780499299 /nfs/dbraw/zinc/49/92/99/780499299.db2.gz GQDOEZCMZHTTLJ-MNOVXSKESA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnccn1 ZINC001278040683 780499961 /nfs/dbraw/zinc/49/99/61/780499961.db2.gz CGIPVVXVBPVZRD-JTQLQIEISA-N 1 0 293.327 -1.541 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC(N)=O ZINC001278053003 780501344 /nfs/dbraw/zinc/50/13/44/780501344.db2.gz APHHZZZHECHGGZ-IUCAKERBSA-N 1 0 284.316 -2.934 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CC(N)=O ZINC001278052997 780501405 /nfs/dbraw/zinc/50/14/05/780501405.db2.gz APHHZZZHECHGGZ-BDAKNGLRSA-N 1 0 284.316 -2.934 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001278053100 780501571 /nfs/dbraw/zinc/50/15/71/780501571.db2.gz BINSJASDKNFOCY-QWRGUYRKSA-N 1 0 285.344 -1.608 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cocn1 ZINC001278053234 780501910 /nfs/dbraw/zinc/50/19/10/780501910.db2.gz DMPCFWXUDAQPGH-UWVGGRQHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1cc(C)cn1 ZINC001278048469 780501952 /nfs/dbraw/zinc/50/19/52/780501952.db2.gz PXKFIAALDYDGEP-NSHDSACASA-N 1 0 250.302 -1.109 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCC(=O)NCC ZINC001278054438 780502006 /nfs/dbraw/zinc/50/20/06/780502006.db2.gz QXNHWQZTNFCVJR-LLVKDONJSA-N 1 0 269.345 -1.007 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001278049374 780502097 /nfs/dbraw/zinc/50/20/97/780502097.db2.gz YOQUGOXDXZMGPI-SECBINFHSA-N 1 0 281.316 -1.608 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC(N)=O ZINC001278053126 780502180 /nfs/dbraw/zinc/50/21/80/780502180.db2.gz BLZJRFYYTJWSMZ-QMMMGPOBSA-N 1 0 270.289 -3.322 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001278053102 780502318 /nfs/dbraw/zinc/50/23/18/780502318.db2.gz BINSJASDKNFOCY-WDEREUQCSA-N 1 0 285.344 -1.608 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001278053198 780502350 /nfs/dbraw/zinc/50/23/50/780502350.db2.gz CXJDPZBGPTZRLV-WDEREUQCSA-N 1 0 283.328 -2.019 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001278053197 780502389 /nfs/dbraw/zinc/50/23/89/780502389.db2.gz CXJDPZBGPTZRLV-GHMZBOCLSA-N 1 0 283.328 -2.019 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)OC ZINC001278049286 780502422 /nfs/dbraw/zinc/50/24/22/780502422.db2.gz XCNUEPVFOMZONO-QWRGUYRKSA-N 1 0 258.318 -1.262 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC(F)(F)F ZINC001278054507 780502457 /nfs/dbraw/zinc/50/24/57/780502457.db2.gz SDZFGQQEAJYBAK-MRVPVSSYSA-N 1 0 295.261 -1.245 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCC(=O)NCC ZINC001278054439 780502481 /nfs/dbraw/zinc/50/24/81/780502481.db2.gz QXNHWQZTNFCVJR-NSHDSACASA-N 1 0 269.345 -1.007 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CC(=O)NCC ZINC001278070281 780502963 /nfs/dbraw/zinc/50/29/63/780502963.db2.gz HDLWIVHBSYBAKX-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCn1ccnn1 ZINC001278071272 780503017 /nfs/dbraw/zinc/50/30/17/780503017.db2.gz NJIDCROLAHOGLQ-SNVBAGLBSA-N 1 0 253.306 -1.079 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC1CCC1 ZINC001278061767 780503290 /nfs/dbraw/zinc/50/32/90/780503290.db2.gz NUOBIQPGRLLTHS-GFCCVEGCSA-N 1 0 281.356 -1.007 20 30 CAEDRO C/C=C(\C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001278063031 780503517 /nfs/dbraw/zinc/50/35/17/780503517.db2.gz XXPXJWLWNYFEDF-RZCNENHTSA-N 1 0 268.317 -1.341 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001278069958 780503995 /nfs/dbraw/zinc/50/39/95/780503995.db2.gz FEKLUJOUQSNQLF-IUCAKERBSA-N 1 0 256.306 -1.867 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CC(=O)NCC ZINC001278070282 780504001 /nfs/dbraw/zinc/50/40/01/780504001.db2.gz HDLWIVHBSYBAKX-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO Cc1cc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)co1 ZINC001278069667 780504009 /nfs/dbraw/zinc/50/40/09/780504009.db2.gz CEUNBWUGOJIELW-LLVKDONJSA-N 1 0 294.311 -1.092 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccn(C)n1 ZINC001278076856 780504417 /nfs/dbraw/zinc/50/44/17/780504417.db2.gz BOZCTOZUEZSEHM-LLVKDONJSA-N 1 0 250.302 -1.338 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001278077089 780504617 /nfs/dbraw/zinc/50/46/17/780504617.db2.gz FSVBTIDOANDEFV-VIFPVBQESA-N 1 0 284.316 -2.093 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001278077041 780504684 /nfs/dbraw/zinc/50/46/84/780504684.db2.gz FAWALGKGXWFLAC-RYUDHWBXSA-N 1 0 272.345 -1.280 20 30 CAEDRO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)c1 ZINC001278072681 780504779 /nfs/dbraw/zinc/50/47/79/780504779.db2.gz VINZDIBGXOZRBB-VIFPVBQESA-N 1 0 294.315 -2.260 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(CCOC)nn1 ZINC001278078672 780504816 /nfs/dbraw/zinc/50/48/16/780504816.db2.gz YSCULQOVHGYZLL-SNVBAGLBSA-N 1 0 281.316 -1.762 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnc(N(C)C)cn1 ZINC001278078691 780504825 /nfs/dbraw/zinc/50/48/25/780504825.db2.gz YWVMVLZIIXAUKK-JTQLQIEISA-N 1 0 277.328 -1.144 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(=O)CC ZINC001278085485 780504838 /nfs/dbraw/zinc/50/48/38/780504838.db2.gz PFDUFEYRCXZPEL-WDEREUQCSA-N 1 0 269.345 -1.009 20 30 CAEDRO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)c1 ZINC001278072680 780504851 /nfs/dbraw/zinc/50/48/51/780504851.db2.gz VINZDIBGXOZRBB-SECBINFHSA-N 1 0 294.315 -2.260 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(=O)CC ZINC001278085482 780505034 /nfs/dbraw/zinc/50/50/34/780505034.db2.gz PFDUFEYRCXZPEL-MNOVXSKESA-N 1 0 269.345 -1.009 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001278072886 780505066 /nfs/dbraw/zinc/50/50/66/780505066.db2.gz VRXPQIUOYLAVSH-CYBMUJFWSA-N 1 0 299.371 -1.965 20 30 CAEDRO C[C@@H]([NH2+][C@@H](CO)CNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001278077008 780505106 /nfs/dbraw/zinc/50/51/06/780505106.db2.gz DQQVFEXILSKLCQ-PSASIEDQSA-N 1 0 296.327 -1.950 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cn(CCOC)nn1 ZINC001278078669 780505191 /nfs/dbraw/zinc/50/51/91/780505191.db2.gz YSCULQOVHGYZLL-JTQLQIEISA-N 1 0 281.316 -1.762 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)NC(N)=O ZINC001278077626 780505280 /nfs/dbraw/zinc/50/52/80/780505280.db2.gz MEBPAGOXOLJNKQ-RKDXNWHRSA-N 1 0 256.306 -1.867 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)NC(N)=O ZINC001278077624 780505310 /nfs/dbraw/zinc/50/53/10/780505310.db2.gz MEBPAGOXOLJNKQ-DTWKUNHWSA-N 1 0 256.306 -1.867 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(=O)CC ZINC001278085358 780505379 /nfs/dbraw/zinc/50/53/79/780505379.db2.gz NFPNSUQVXYTTDB-UWVGGRQHSA-N 1 0 255.318 -1.399 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(=O)CC ZINC001278085483 780505427 /nfs/dbraw/zinc/50/54/27/780505427.db2.gz PFDUFEYRCXZPEL-QWRGUYRKSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001278077088 780505440 /nfs/dbraw/zinc/50/54/40/780505440.db2.gz FSVBTIDOANDEFV-SECBINFHSA-N 1 0 284.316 -2.093 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001278105368 780506560 /nfs/dbraw/zinc/50/65/60/780506560.db2.gz IWLKIDHMYWTDEM-DTWKUNHWSA-N 1 0 264.347 -1.328 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278105692 780506830 /nfs/dbraw/zinc/50/68/30/780506830.db2.gz LYMIWADKISWABG-JTQLQIEISA-N 1 0 276.358 -1.326 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001278104950 780506994 /nfs/dbraw/zinc/50/69/94/780506994.db2.gz CHJNRPRXWWFLMD-SECBINFHSA-N 1 0 262.331 -1.879 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(F)c[nH]1 ZINC001278112292 780507105 /nfs/dbraw/zinc/50/71/05/780507105.db2.gz JNQDZIXGXIPOBR-JTQLQIEISA-N 1 0 296.302 -1.417 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001278111584 780507163 /nfs/dbraw/zinc/50/71/63/780507163.db2.gz CDGPEEXWFUTRLH-UWVGGRQHSA-N 1 0 276.358 -1.326 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001278105369 780507204 /nfs/dbraw/zinc/50/72/04/780507204.db2.gz IWLKIDHMYWTDEM-IUCAKERBSA-N 1 0 264.347 -1.328 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001278129015 780507930 /nfs/dbraw/zinc/50/79/30/780507930.db2.gz LHZNVGRQRZPQOH-QMMMGPOBSA-N 1 0 252.274 -1.561 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001278129582 780508446 /nfs/dbraw/zinc/50/84/46/780508446.db2.gz OMMBXGPNJAACQL-WDEREUQCSA-N 1 0 285.344 -1.786 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001278136848 780509611 /nfs/dbraw/zinc/50/96/11/780509611.db2.gz ALSJKZWNAFKROM-SECBINFHSA-N 1 0 253.302 -1.658 20 30 CAEDRO C=C1CC(C)(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001278147326 780509855 /nfs/dbraw/zinc/50/98/55/780509855.db2.gz LCGAWUQQGSMPQO-SECBINFHSA-N 1 0 298.343 -1.396 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001278139313 780509997 /nfs/dbraw/zinc/50/99/97/780509997.db2.gz RLSFANFOVSIKHG-NXEZZACHSA-N 1 0 253.302 -1.835 20 30 CAEDRO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NCC#N)CC1 ZINC001278136892 780510069 /nfs/dbraw/zinc/51/00/69/780510069.db2.gz BJLDNUMWQUNTHI-JTQLQIEISA-N 1 0 254.334 -1.082 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001278139321 780510292 /nfs/dbraw/zinc/51/02/92/780510292.db2.gz RLSFANFOVSIKHG-ZJUUUORDSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CCN(C(=O)CC(N)=O)C1CC[NH+](CCO)CC1 ZINC001278138671 780510372 /nfs/dbraw/zinc/51/03/72/780510372.db2.gz ZDBAAYJTCSLGRA-UHFFFAOYSA-N 1 0 267.329 -1.220 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001278171371 780510910 /nfs/dbraw/zinc/51/09/10/780510910.db2.gz FZIAHIDDGCCRFE-SECBINFHSA-N 1 0 252.278 -2.237 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001278156231 780510966 /nfs/dbraw/zinc/51/09/66/780510966.db2.gz WGMLVEWPCQWVKR-GXFFZTMASA-N 1 0 267.329 -1.397 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001278155281 780511021 /nfs/dbraw/zinc/51/10/21/780511021.db2.gz OPVCIUVFNOLUOJ-LBPRGKRZSA-N 1 0 295.343 -1.546 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC12CCC2 ZINC001278164669 780511216 /nfs/dbraw/zinc/51/12/16/780511216.db2.gz KNIBZTVDWFJVNM-NWDGAFQWSA-N 1 0 293.367 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1CC ZINC001278156422 780511300 /nfs/dbraw/zinc/51/13/00/780511300.db2.gz XBYDFQKBURAVTR-IJLUTSLNSA-N 1 0 281.356 -1.151 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001278154429 780511815 /nfs/dbraw/zinc/51/18/15/780511815.db2.gz DGGCAFBNFNINJS-LLVKDONJSA-N 1 0 265.317 -1.173 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001278154430 780511952 /nfs/dbraw/zinc/51/19/52/780511952.db2.gz DGGCAFBNFNINJS-NSHDSACASA-N 1 0 265.317 -1.173 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001278156234 780512012 /nfs/dbraw/zinc/51/20/12/780512012.db2.gz WGMLVEWPCQWVKR-ZWNOBZJWSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)NC ZINC001278201135 780513958 /nfs/dbraw/zinc/51/39/58/780513958.db2.gz AISKPPBRAADMTH-SECBINFHSA-N 1 0 279.362 -1.822 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)CCC ZINC001278202668 780514017 /nfs/dbraw/zinc/51/40/17/780514017.db2.gz SZOMYBFXGRQPFL-NSHDSACASA-N 1 0 290.385 -1.099 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)CCC ZINC001278202667 780514193 /nfs/dbraw/zinc/51/41/93/780514193.db2.gz SZOMYBFXGRQPFL-LLVKDONJSA-N 1 0 290.385 -1.099 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001278201831 780514661 /nfs/dbraw/zinc/51/46/61/780514661.db2.gz KGAFKOUNMHHKRY-GFCCVEGCSA-N 1 0 292.339 -1.627 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCNC(N)=O ZINC001278193787 780514763 /nfs/dbraw/zinc/51/47/63/780514763.db2.gz CXUIVYDSOKAOLL-SECBINFHSA-N 1 0 258.322 -1.312 20 30 CAEDRO C#CCN(C(=O)CCNC(N)=O)C1CC[NH+](CCO)CC1 ZINC001278200844 780514815 /nfs/dbraw/zinc/51/48/15/780514815.db2.gz VAPXXQNCEHGTEK-UHFFFAOYSA-N 1 0 296.371 -1.037 20 30 CAEDRO N#C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C(N)=O ZINC001238627277 780520303 /nfs/dbraw/zinc/52/03/03/780520303.db2.gz XDXLSOSRAWEVNU-MRVPVSSYSA-N 1 0 260.319 -1.717 20 30 CAEDRO C#CCCN1CCC[C@@H](NS(=O)(=O)CC[NH3+])C1=O ZINC001238786444 780523573 /nfs/dbraw/zinc/52/35/73/780523573.db2.gz XZDNPSJMPNEOCP-SNVBAGLBSA-N 1 0 273.358 -1.121 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N1CCNC[C@@]12CC[NH2+]C2 ZINC001239025659 780528451 /nfs/dbraw/zinc/52/84/51/780528451.db2.gz MEUNEZXYVXCEGX-ZJUUUORDSA-N 1 0 258.347 -1.134 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001239029741 780528586 /nfs/dbraw/zinc/52/85/86/780528586.db2.gz CQYIRLVJSIJMHA-ZJUUUORDSA-N 1 0 258.347 -1.134 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001239029734 780528718 /nfs/dbraw/zinc/52/87/18/780528718.db2.gz CQYIRLVJSIJMHA-VHSXEESVSA-N 1 0 258.347 -1.134 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001239029727 780529179 /nfs/dbraw/zinc/52/91/79/780529179.db2.gz CQYIRLVJSIJMHA-UWVGGRQHSA-N 1 0 258.347 -1.134 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N1CCNC[C@]12CC[NH2+]C2 ZINC001239025650 780529233 /nfs/dbraw/zinc/52/92/33/780529233.db2.gz MEUNEZXYVXCEGX-NXEZZACHSA-N 1 0 258.347 -1.134 20 30 CAEDRO N#Cc1nccnc1N1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239097905 780529903 /nfs/dbraw/zinc/52/99/03/780529903.db2.gz MMADLLYXIBCMRG-UHFFFAOYSA-N 1 0 296.356 -1.241 20 30 CAEDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)[C@@H](C)C#N ZINC001239120940 780531358 /nfs/dbraw/zinc/53/13/58/780531358.db2.gz JZDSRAHXMYQHKR-FXQIFTODSA-N 1 0 261.303 -1.197 20 30 CAEDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)[C@H](C)C#N ZINC001239120942 780531659 /nfs/dbraw/zinc/53/16/59/780531659.db2.gz JZDSRAHXMYQHKR-PRJMDXOYSA-N 1 0 261.303 -1.197 20 30 CAEDRO CC(=O)NCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278333115 780537138 /nfs/dbraw/zinc/53/71/38/780537138.db2.gz CJHWYFHXNAJSQN-MWLCHTKSSA-N 1 0 295.343 -1.659 20 30 CAEDRO C#CCOC[C@@H](O)CN1CCNC[C@]12CC[NH2+]C2 ZINC001246029075 780540927 /nfs/dbraw/zinc/54/09/27/780540927.db2.gz OZZMBTAPWUINJV-QWHCGFSZSA-N 1 0 253.346 -1.366 20 30 CAEDRO C=CCOC[C@H](O)CN1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246054168 780542279 /nfs/dbraw/zinc/54/22/79/780542279.db2.gz XDOXGPWRJAABOT-VWYCJHECSA-N 1 0 258.318 -1.018 20 30 CAEDRO C=CCOC[C@H](O)CN1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001246054164 780542386 /nfs/dbraw/zinc/54/23/86/780542386.db2.gz XDOXGPWRJAABOT-GMTAPVOTSA-N 1 0 258.318 -1.018 20 30 CAEDRO C=CCOC[C@@H](O)CN1CC[NH2+]C[C@H]1C(=O)OC ZINC001246049981 780542828 /nfs/dbraw/zinc/54/28/28/780542828.db2.gz UJCXEXPVXSRHAA-QWRGUYRKSA-N 1 0 258.318 -1.003 20 30 CAEDRO C#CCOC[C@@H](O)CN1C[C@@H]([NH3+])C[C@H]1C(=O)OC ZINC001246068785 780543038 /nfs/dbraw/zinc/54/30/38/780543038.db2.gz XIDRFFOCUBIRMZ-DCAQKATOSA-N 1 0 256.302 -1.428 20 30 CAEDRO C#CCOCCOCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251045676 780573141 /nfs/dbraw/zinc/57/31/41/780573141.db2.gz KGMCWAANNKJIBO-AWEZNQCLSA-N 1 0 286.372 -1.065 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1CCOC[C@H]1CO ZINC001251707636 780576035 /nfs/dbraw/zinc/57/60/35/780576035.db2.gz BCPPLBVLYMWTQI-LLVKDONJSA-N 1 0 255.318 -1.046 20 30 CAEDRO C[NH+](C)CCn1nnnc1SCC(=O)NCC#N ZINC001251713662 780576529 /nfs/dbraw/zinc/57/65/29/780576529.db2.gz NPMNHMDFXFMZED-UHFFFAOYSA-N 1 0 269.334 -1.033 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCOCCN1C(=O)C=CC1=O ZINC001251896700 780579460 /nfs/dbraw/zinc/57/94/60/780579460.db2.gz LTQUMZRFBPHRCG-GFCCVEGCSA-N 1 0 296.323 -1.472 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001251893750 780579525 /nfs/dbraw/zinc/57/95/25/780579525.db2.gz IRGOOWNIFYLJIG-DCAQKATOSA-N 1 0 286.328 -1.347 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001251903428 780579587 /nfs/dbraw/zinc/57/95/87/780579587.db2.gz ITAZVKUODLQKNI-LPEHRKFASA-N 1 0 271.317 -2.035 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](CCC(=O)OC)C(N)=O ZINC001251900648 780579691 /nfs/dbraw/zinc/57/96/91/780579691.db2.gz WVWQQMCFLDWXCZ-ZJUUUORDSA-N 1 0 272.301 -1.606 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001251903360 780579728 /nfs/dbraw/zinc/57/97/28/780579728.db2.gz HGMRVCBOVSYBFC-SRVKXCTJSA-N 1 0 299.371 -1.399 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001251893751 780579780 /nfs/dbraw/zinc/57/97/80/780579780.db2.gz IRGOOWNIFYLJIG-GARJFASQSA-N 1 0 286.328 -1.347 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001251903362 780579854 /nfs/dbraw/zinc/57/98/54/780579854.db2.gz HGMRVCBOVSYBFC-TUAOUCFPSA-N 1 0 299.371 -1.399 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001251894270 780579894 /nfs/dbraw/zinc/57/98/94/780579894.db2.gz RIGXMDKTTSMFRJ-GHMZBOCLSA-N 1 0 276.358 -1.379 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](Cc1c[nH]cn1)C(N)=O ZINC001251907182 780580003 /nfs/dbraw/zinc/58/00/03/780580003.db2.gz VSWCQRSWKKMBEZ-MNOVXSKESA-N 1 0 266.301 -1.594 20 30 CAEDRO CN1C(=O)CC[C@@H](NC(=O)NCC#CC[NH+](C)C)C1=O ZINC001252107319 780583656 /nfs/dbraw/zinc/58/36/56/780583656.db2.gz DZVSVMBPHHJZOU-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001278667099 780587456 /nfs/dbraw/zinc/58/74/56/780587456.db2.gz NBGMMKIDTMIPME-SNVBAGLBSA-N 1 0 267.329 -1.052 20 30 CAEDRO C=CCC[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001252623428 780588134 /nfs/dbraw/zinc/58/81/34/780588134.db2.gz JZTPBIPNXFBRJO-SECBINFHSA-N 1 0 286.332 -2.379 20 30 CAEDRO C=CCC[C@H](O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001252623430 780588246 /nfs/dbraw/zinc/58/82/46/780588246.db2.gz JZTPBIPNXFBRJO-VIFPVBQESA-N 1 0 286.332 -2.379 20 30 CAEDRO C=C[C@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001253615799 780593596 /nfs/dbraw/zinc/59/35/96/780593596.db2.gz NNQSYIWDXRXKQM-IXAFYFBPSA-N 1 0 277.317 -2.033 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001278732657 780593781 /nfs/dbraw/zinc/59/37/81/780593781.db2.gz UWXREHDJNPAGFW-NSHDSACASA-N 1 0 250.302 -1.075 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc[nH]1 ZINC001278732183 780593868 /nfs/dbraw/zinc/59/38/68/780593868.db2.gz PUZUOGWIHRSVLT-LLVKDONJSA-N 1 0 292.339 -1.213 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CSCC#N ZINC001278730594 780593900 /nfs/dbraw/zinc/59/39/00/780593900.db2.gz FNXIIDJANJQHAR-QMMMGPOBSA-N 1 0 274.346 -1.863 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737974 780594362 /nfs/dbraw/zinc/59/43/62/780594362.db2.gz XLQACJLVQIURLK-MNOVXSKESA-N 1 0 282.344 -1.143 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737875 780594955 /nfs/dbraw/zinc/59/49/55/780594955.db2.gz VWDAYIFDSHGSNR-GHMZBOCLSA-N 1 0 280.328 -1.696 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737877 780595003 /nfs/dbraw/zinc/59/50/03/780595003.db2.gz VWDAYIFDSHGSNR-QWRGUYRKSA-N 1 0 280.328 -1.696 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)N1CCCC1 ZINC001278755590 780597660 /nfs/dbraw/zinc/59/76/60/780597660.db2.gz GWMQXJXITOLSBW-GFCCVEGCSA-N 1 0 296.371 -1.166 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001278755861 780597796 /nfs/dbraw/zinc/59/77/96/780597796.db2.gz IRIAAHDLRSTROL-LLVKDONJSA-N 1 0 296.331 -2.268 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001278755862 780597931 /nfs/dbraw/zinc/59/79/31/780597931.db2.gz IRIAAHDLRSTROL-NSHDSACASA-N 1 0 296.331 -2.268 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(CCOC)nn1 ZINC001278756899 780597991 /nfs/dbraw/zinc/59/79/91/780597991.db2.gz WPTAAJDNQFYIAY-LLVKDONJSA-N 1 0 295.343 -1.420 20 30 CAEDRO CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001278754767 780598218 /nfs/dbraw/zinc/59/82/18/780598218.db2.gz AWVSCSMKHBUPLH-NWDGAFQWSA-N 1 0 281.356 -1.057 20 30 CAEDRO C=CCOCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001278766147 780600638 /nfs/dbraw/zinc/60/06/38/780600638.db2.gz HASHYDHIERINIU-RISCZKNCSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001278768388 780601004 /nfs/dbraw/zinc/60/10/04/780601004.db2.gz VMGMRJWFLOEWKP-LLVKDONJSA-N 1 0 283.328 -2.113 20 30 CAEDRO C=CCOCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001278766145 780601026 /nfs/dbraw/zinc/60/10/26/780601026.db2.gz HASHYDHIERINIU-BXUZGUMPSA-N 1 0 299.371 -1.124 20 30 CAEDRO O=C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001254211084 780601378 /nfs/dbraw/zinc/60/13/78/780601378.db2.gz IIZQNFGOTCLXRT-LNFKQOIKSA-N 1 0 297.298 -1.204 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001278776701 780603725 /nfs/dbraw/zinc/60/37/25/780603725.db2.gz MMNHAGCEXOOYLL-BXKDBHETSA-N 1 0 267.285 -1.719 20 30 CAEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C)c(=O)n(C)c2=O)N1 ZINC001254352654 780604613 /nfs/dbraw/zinc/60/46/13/780604613.db2.gz YHZHLAICDIPARH-ZETCQYMHSA-N 1 0 264.289 -1.645 20 30 CAEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001254642706 780606103 /nfs/dbraw/zinc/60/61/03/780606103.db2.gz GAJFZTDGNFPNFI-YUQPVLSZSA-N 1 0 272.301 -1.932 20 30 CAEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001254642695 780606200 /nfs/dbraw/zinc/60/62/00/780606200.db2.gz GAJFZTDGNFPNFI-LTDQNYPCSA-N 1 0 272.301 -1.932 20 30 CAEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001254642689 780606277 /nfs/dbraw/zinc/60/62/77/780606277.db2.gz GAJFZTDGNFPNFI-DNOVGRLMSA-N 1 0 272.301 -1.932 20 30 CAEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001254642705 780606284 /nfs/dbraw/zinc/60/62/84/780606284.db2.gz GAJFZTDGNFPNFI-RWHZVYADSA-N 1 0 272.301 -1.932 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001278799406 780606316 /nfs/dbraw/zinc/60/63/16/780606316.db2.gz AIZMKLKJTYSGCD-BXKDBHETSA-N 1 0 266.301 -2.146 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001278797643 780606413 /nfs/dbraw/zinc/60/64/13/780606413.db2.gz KDMSFILCAVMJLN-SECBINFHSA-N 1 0 253.302 -1.706 20 30 CAEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C1 ZINC001254652395 780607505 /nfs/dbraw/zinc/60/75/05/780607505.db2.gz CWZLUFREUKIWMF-RKDXNWHRSA-N 1 0 281.316 -2.014 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001278804003 780607570 /nfs/dbraw/zinc/60/75/70/780607570.db2.gz KLIQXTORBBYCKA-AEJSXWLSSA-N 1 0 253.302 -1.850 20 30 CAEDRO N#C[C@H]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C1 ZINC001254652394 780607810 /nfs/dbraw/zinc/60/78/10/780607810.db2.gz CWZLUFREUKIWMF-IUCAKERBSA-N 1 0 281.316 -2.014 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001278815510 780608597 /nfs/dbraw/zinc/60/85/97/780608597.db2.gz FPZIGJAFWXAPOI-LBPRGKRZSA-N 1 0 278.316 -1.751 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001278818257 780608843 /nfs/dbraw/zinc/60/88/43/780608843.db2.gz ZSFDPSCUJXFQTC-SECBINFHSA-N 1 0 251.290 -1.529 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001278839294 780611192 /nfs/dbraw/zinc/61/11/92/780611192.db2.gz OUSINQKDQLRUKL-RYUDHWBXSA-N 1 0 296.371 -1.038 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001278859666 780614008 /nfs/dbraw/zinc/61/40/08/780614008.db2.gz FZGQOLJIOOWXAZ-NWDGAFQWSA-N 1 0 281.356 -1.103 20 30 CAEDRO COC1CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001255448533 780615140 /nfs/dbraw/zinc/61/51/40/780615140.db2.gz XIMYCJNRGFWSOU-KUHWMHPDSA-N 1 0 291.344 -1.824 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001278873150 780616369 /nfs/dbraw/zinc/61/63/69/780616369.db2.gz BIYJVDRCBFIDEA-TUAOUCFPSA-N 1 0 281.356 -1.118 20 30 CAEDRO C[NH+]1CCC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001256195335 780621387 /nfs/dbraw/zinc/62/13/87/780621387.db2.gz MTULBYVOXILINE-IRCOFANPSA-N 1 0 276.333 -2.687 20 30 CAEDRO N#CC1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001256959006 780626759 /nfs/dbraw/zinc/62/67/59/780626759.db2.gz SHNDTSVLGFGMBD-ACNLBUOFSA-N 1 0 286.328 -1.542 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001278991579 780627054 /nfs/dbraw/zinc/62/70/54/780627054.db2.gz JUYBMKFLNBIYMV-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO N#CC1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001256963108 780627298 /nfs/dbraw/zinc/62/72/98/780627298.db2.gz BAAJVWFMDSTKHD-UHFFFAOYSA-N 1 0 295.343 -1.624 20 30 CAEDRO N#CC1CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001256955994 780627352 /nfs/dbraw/zinc/62/73/52/780627352.db2.gz HDRRHVNBNGPGDA-KUHWMHPDSA-N 1 0 286.328 -1.699 20 30 CAEDRO O=C[C@H]([NH2+]C1CCCCC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257449972 780629426 /nfs/dbraw/zinc/62/94/26/780629426.db2.gz YYBREJBKTBNTCL-IRCOFANPSA-N 1 0 261.318 -1.449 20 30 CAEDRO C[C@H](CC1CC1)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258450027 780633853 /nfs/dbraw/zinc/63/38/53/780633853.db2.gz CSBGEPWARWRGHJ-AWHZUTQYSA-N 1 0 261.318 -1.593 20 30 CAEDRO C=CCC[C@@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001258726296 780635017 /nfs/dbraw/zinc/63/50/17/780635017.db2.gz SPAQGFJDRFTSDC-SECBINFHSA-N 1 0 270.333 -1.352 20 30 CAEDRO C=CCC[C@H](C)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001258726298 780635049 /nfs/dbraw/zinc/63/50/49/780635049.db2.gz SPAQGFJDRFTSDC-VIFPVBQESA-N 1 0 270.333 -1.352 20 30 CAEDRO C=CCC[C@H](C)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001258722217 780635181 /nfs/dbraw/zinc/63/51/81/780635181.db2.gz MWHOQIAMDRNHBJ-VQJPJQAJSA-N 1 0 261.318 -1.269 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@H](C[NH3+])C1 ZINC001261425248 780662718 /nfs/dbraw/zinc/66/27/18/780662718.db2.gz STRPWPOSKCGYQK-ZWNOBZJWSA-N 1 0 297.334 -1.448 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@@H](C[NH3+])C1 ZINC001261425245 780662843 /nfs/dbraw/zinc/66/28/43/780662843.db2.gz STRPWPOSKCGYQK-GWCFXTLKSA-N 1 0 297.334 -1.448 20 30 CAEDRO COCC(=O)NCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001261461871 780665424 /nfs/dbraw/zinc/66/54/24/780665424.db2.gz AYCKBENCYHRCBP-RKDXNWHRSA-N 1 0 254.290 -1.633 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001261494741 780667734 /nfs/dbraw/zinc/66/77/34/780667734.db2.gz BWIHDEKAWMJIHA-RNFRBKRXSA-N 1 0 265.233 -1.586 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001261622145 780673897 /nfs/dbraw/zinc/67/38/97/780673897.db2.gz RAAQYPRQPAUOGB-LBPRGKRZSA-N 1 0 279.340 -1.133 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261635689 780674743 /nfs/dbraw/zinc/67/47/43/780674743.db2.gz MNBSKOHQYUPOMQ-IQLKVPPVSA-N 1 0 277.324 -1.285 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001261823744 780688062 /nfs/dbraw/zinc/68/80/62/780688062.db2.gz HJLXWAYAINGRFJ-LBPRGKRZSA-N 1 0 277.324 -1.424 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262066926 780698639 /nfs/dbraw/zinc/69/86/39/780698639.db2.gz NSQGYZTZEIBROL-PHIMTYICSA-N 1 0 265.313 -1.285 20 30 CAEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC001262488532 780711948 /nfs/dbraw/zinc/71/19/48/780711948.db2.gz FCCFTINSSGCLOR-MFKMUULPSA-N 1 0 280.328 -1.052 20 30 CAEDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001262489854 780712145 /nfs/dbraw/zinc/71/21/45/780712145.db2.gz KAHNIJDYJWECKR-MNOVXSKESA-N 1 0 296.327 -1.816 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001262543956 780713674 /nfs/dbraw/zinc/71/36/74/780713674.db2.gz PEWZENBDADNIAX-UHFFFAOYSA-N 1 0 298.412 -1.510 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001262544011 780713753 /nfs/dbraw/zinc/71/37/53/780713753.db2.gz QFQRTTJEHLZVGA-NSHDSACASA-N 1 0 283.328 -1.801 20 30 CAEDRO CN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)NCC1=O ZINC001263105652 780721042 /nfs/dbraw/zinc/72/10/42/780721042.db2.gz UQSJFUCKDQVJMD-XHNCKOQMSA-N 1 0 251.290 -2.356 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001263849486 780731594 /nfs/dbraw/zinc/73/15/94/780731594.db2.gz KWVGJDZQVYZGTR-PHIMTYICSA-N 1 0 292.339 -1.002 20 30 CAEDRO COCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263853368 780731845 /nfs/dbraw/zinc/73/18/45/780731845.db2.gz SEFAHNCGNJXIFU-MGCOHNPYSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)COC)C1 ZINC001263853234 780731880 /nfs/dbraw/zinc/73/18/80/780731880.db2.gz MXEVWFMQQFSTIC-XYPYZODXSA-N 1 0 267.329 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC(N)=O)C1 ZINC001264387664 780737696 /nfs/dbraw/zinc/73/76/96/780737696.db2.gz VUFJSNGVGYPDMV-DTORHVGOSA-N 1 0 281.316 -2.014 20 30 CAEDRO Cn1cc(C(=O)NCCC[N@H+](C)CC(=O)NCC#N)nn1 ZINC001264982355 780740211 /nfs/dbraw/zinc/74/02/11/780740211.db2.gz NRGNRLZMELTRPU-UHFFFAOYSA-N 1 0 293.331 -1.493 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)c1nnn(C)n1 ZINC001265022580 780741848 /nfs/dbraw/zinc/74/18/48/780741848.db2.gz DHTPUPJCPCWKIE-UHFFFAOYSA-N 1 0 293.331 -1.989 20 30 CAEDRO C[N@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NCC#N ZINC001265028596 780742401 /nfs/dbraw/zinc/74/24/01/780742401.db2.gz DCMTWXCRTLRBDS-VIFPVBQESA-N 1 0 296.331 -2.254 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001265331471 780748418 /nfs/dbraw/zinc/74/84/18/780748418.db2.gz AWBUGLOALSAUHX-JTQLQIEISA-N 1 0 292.339 -1.808 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001265441629 780749497 /nfs/dbraw/zinc/74/94/97/780749497.db2.gz OAYWOSZMSRDOTL-JTQLQIEISA-N 1 0 290.327 -1.333 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001265438134 780750356 /nfs/dbraw/zinc/75/03/56/780750356.db2.gz XEXXVMPFOQEVIB-ZJUUUORDSA-N 1 0 290.327 -1.253 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001265475824 780750777 /nfs/dbraw/zinc/75/07/77/780750777.db2.gz QXKDLZFCHIFINA-JRKPZEMJSA-N 1 0 298.343 -1.255 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001265466068 780751028 /nfs/dbraw/zinc/75/10/28/780751028.db2.gz PPZQJVCGKARHNY-KYZUINATSA-N 1 0 292.303 -2.450 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001265469072 780751061 /nfs/dbraw/zinc/75/10/61/780751061.db2.gz WAPONCZWTFCJPG-OPRDCNLKSA-N 1 0 293.327 -1.858 20 30 CAEDRO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265467267 780751384 /nfs/dbraw/zinc/75/13/84/780751384.db2.gz LJHDLEBGWWHWNQ-XYPYZODXSA-N 1 0 295.343 -1.659 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001265490709 780751512 /nfs/dbraw/zinc/75/15/12/780751512.db2.gz JYIXGBKLVFWSOA-OZHLHINWSA-N 1 0 292.339 -1.245 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001265558270 780752163 /nfs/dbraw/zinc/75/21/63/780752163.db2.gz SSCBJLSCKWSHDL-RGOKHQFPSA-N 1 0 293.327 -2.016 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001265540069 780752318 /nfs/dbraw/zinc/75/23/18/780752318.db2.gz DTTTUUMMXIAPHW-AOOOYVTPSA-N 1 0 290.327 -1.363 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001265555681 780752605 /nfs/dbraw/zinc/75/26/05/780752605.db2.gz DNFQMGMCOBMQTR-XHNCKOQMSA-N 1 0 266.301 -2.154 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001265555680 780752637 /nfs/dbraw/zinc/75/26/37/780752637.db2.gz DNFQMGMCOBMQTR-HLTSFMKQSA-N 1 0 266.301 -2.154 20 30 CAEDRO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265526203 780752752 /nfs/dbraw/zinc/75/27/52/780752752.db2.gz VFSRQDWNFHIEJM-AOOOYVTPSA-N 1 0 281.316 -2.001 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(C)=O)C1 ZINC001265525904 780753180 /nfs/dbraw/zinc/75/31/80/780753180.db2.gz NJMRREXIULKGQW-PHIMTYICSA-N 1 0 280.328 -1.891 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001265621763 780753852 /nfs/dbraw/zinc/75/38/52/780753852.db2.gz PEQVAXAJEBJOJW-QWRGUYRKSA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)CNC(C)=O ZINC001265748834 780755097 /nfs/dbraw/zinc/75/50/97/780755097.db2.gz SHZAKNOVVNXLMF-SECBINFHSA-N 1 0 270.333 -1.481 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnccn1 ZINC001265748402 780755120 /nfs/dbraw/zinc/75/51/20/780755120.db2.gz JYUHUAXXZRLPJN-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCNC(=O)NC ZINC001265770363 780756545 /nfs/dbraw/zinc/75/65/45/780756545.db2.gz BLAWSWPLCNJZFM-SNVBAGLBSA-N 1 0 297.359 -1.851 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCNC(=O)NC ZINC001265770362 780756665 /nfs/dbraw/zinc/75/66/65/780756665.db2.gz BLAWSWPLCNJZFM-JTQLQIEISA-N 1 0 297.359 -1.851 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CCNC(=O)COC ZINC001265782036 780756774 /nfs/dbraw/zinc/75/67/74/780756774.db2.gz QIPJQFGTCXHUIR-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC(=O)NCC ZINC001265769417 780757021 /nfs/dbraw/zinc/75/70/21/780757021.db2.gz UZDVUPKCXIFPOG-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]CC(=O)NCC#N ZINC001265774500 780757067 /nfs/dbraw/zinc/75/70/67/780757067.db2.gz FPHYUIVLPQBYRK-QMMMGPOBSA-N 1 0 280.292 -2.593 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CCNC(=O)COC ZINC001265782035 780757207 /nfs/dbraw/zinc/75/72/07/780757207.db2.gz QIPJQFGTCXHUIR-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001265793973 780758582 /nfs/dbraw/zinc/75/85/82/780758582.db2.gz DVEJMAVEMPFZLN-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001265814605 780758774 /nfs/dbraw/zinc/75/87/74/780758774.db2.gz BETOVCJYYXVPJD-QMMMGPOBSA-N 1 0 269.305 -1.221 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001265819095 780759369 /nfs/dbraw/zinc/75/93/69/780759369.db2.gz YLSKVZXFXGQFEW-ZJUUUORDSA-N 1 0 294.355 -1.516 20 30 CAEDRO COCC#CC[N@H+](C)CCCNC(=O)CC(N)=O ZINC001265816864 780759406 /nfs/dbraw/zinc/75/94/06/780759406.db2.gz DRIYENZYSUTACJ-UHFFFAOYSA-N 1 0 255.318 -1.050 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)CNC(=O)C(N)=O ZINC001265818103 780759690 /nfs/dbraw/zinc/75/96/90/780759690.db2.gz DLSDJUBZCCJYKR-SNVBAGLBSA-N 1 0 282.344 -1.233 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001265832133 780759894 /nfs/dbraw/zinc/75/98/94/780759894.db2.gz CJLQIAOCIQJDDT-VIFPVBQESA-N 1 0 280.328 -1.022 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001265832831 780760342 /nfs/dbraw/zinc/76/03/42/780760342.db2.gz RHLSHCSIFOGPJG-ZJUUUORDSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)CC(N)=O ZINC001265817164 780760428 /nfs/dbraw/zinc/76/04/28/780760428.db2.gz LNSHRABCVKCLAB-SNVBAGLBSA-N 1 0 282.344 -1.562 20 30 CAEDRO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001265853918 780761492 /nfs/dbraw/zinc/76/14/92/780761492.db2.gz VBFBTRBICWMUPW-BDAKNGLRSA-N 1 0 281.316 -2.001 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1nonc1C ZINC001265846460 780761819 /nfs/dbraw/zinc/76/18/19/780761819.db2.gz OCTRIZGQLJUAHP-VIFPVBQESA-N 1 0 293.327 -1.236 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001265854093 780761869 /nfs/dbraw/zinc/76/18/69/780761869.db2.gz WNCFZVADYNOYCB-ZJUUUORDSA-N 1 0 282.344 -1.339 20 30 CAEDRO C[N@H+](CCCNC(=O)c1cn[nH]n1)CC(=O)NCC#N ZINC001265883023 780762721 /nfs/dbraw/zinc/76/27/21/780762721.db2.gz SQUOESGIVQVINA-UHFFFAOYSA-N 1 0 279.304 -1.504 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001265901442 780763220 /nfs/dbraw/zinc/76/32/20/780763220.db2.gz XFMRNXKVEOLBSF-JTQLQIEISA-N 1 0 290.327 -1.631 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001265896950 780763257 /nfs/dbraw/zinc/76/32/57/780763257.db2.gz HPZPXMYFDKJRBV-QMMMGPOBSA-N 1 0 267.289 -2.308 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001265861375 780763286 /nfs/dbraw/zinc/76/32/86/780763286.db2.gz NFYCALYIGNCOEV-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C[C@@H](CNC(=O)c1ccn(C)n1)[NH2+]CC(=O)NCC#N ZINC001265863807 780763357 /nfs/dbraw/zinc/76/33/57/780763357.db2.gz LCEQWLVBEYAVMP-VIFPVBQESA-N 1 0 278.316 -1.232 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001265903253 780764969 /nfs/dbraw/zinc/76/49/69/780764969.db2.gz KBSGTEVKCNOUSH-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265905151 780765111 /nfs/dbraw/zinc/76/51/11/780765111.db2.gz BGGGPQMMQQXJMZ-LBPRGKRZSA-N 1 0 292.339 -1.143 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001265903254 780765198 /nfs/dbraw/zinc/76/51/98/780765198.db2.gz KBSGTEVKCNOUSH-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001265923642 780765210 /nfs/dbraw/zinc/76/52/10/780765210.db2.gz WYFFHVHVBOCMJB-VHSXEESVSA-N 1 0 293.327 -2.047 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)C1(C(N)=O)CC1 ZINC001265914045 780765258 /nfs/dbraw/zinc/76/52/58/780765258.db2.gz BEDCJBGALDUVOE-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO COCC#CC[N@H+](C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001265911566 780765293 /nfs/dbraw/zinc/76/52/93/780765293.db2.gz AAKWNVANJVTOPF-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001265986420 780766069 /nfs/dbraw/zinc/76/60/69/780766069.db2.gz FSKDDQSZRYLNEE-ZJUUUORDSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001266012342 780767175 /nfs/dbraw/zinc/76/71/75/780767175.db2.gz BAYBQRZAKMFZCN-ZJUUUORDSA-N 1 0 250.302 -1.261 20 30 CAEDRO C[C@@H](CCNC(=O)C1=COCCO1)[NH2+]CC(=O)NCC#N ZINC001266125174 780769108 /nfs/dbraw/zinc/76/91/08/780769108.db2.gz VQFZPEPAHYGVKI-JTQLQIEISA-N 1 0 296.327 -1.001 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001266066560 780769229 /nfs/dbraw/zinc/76/92/29/780769229.db2.gz CQEVEDDDBIPKIA-IUCAKERBSA-N 1 0 281.316 -1.872 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CN1CCOCC1=O ZINC001266149288 780770121 /nfs/dbraw/zinc/77/01/21/780770121.db2.gz SWSHSIINTZHPEU-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C[C@@H](CCNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)NCC#N ZINC001266172380 780770425 /nfs/dbraw/zinc/77/04/25/780770425.db2.gz FSEWYLXCWFGFCX-VIFPVBQESA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001266147172 780770565 /nfs/dbraw/zinc/77/05/65/780770565.db2.gz WWPUWNUKFUPBGD-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001266190451 780771284 /nfs/dbraw/zinc/77/12/84/780771284.db2.gz YHDGTVDBNZMGEG-JTQLQIEISA-N 1 0 294.355 -1.468 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC001279280418 780772200 /nfs/dbraw/zinc/77/22/00/780772200.db2.gz JXPXUFVZXBUVIF-IDKOKCKLSA-N 1 0 282.344 -1.259 20 30 CAEDRO C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001279347476 780773552 /nfs/dbraw/zinc/77/35/52/780773552.db2.gz OJWZPRPSOAAICY-PHIMTYICSA-N 1 0 292.339 -1.999 20 30 CAEDRO C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001279510087 780773978 /nfs/dbraw/zinc/77/39/78/780773978.db2.gz UNNWRMLENXNTII-SMDDNHRTSA-N 1 0 294.355 -1.366 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@H](C)C(N)=O ZINC001279672766 780775245 /nfs/dbraw/zinc/77/52/45/780775245.db2.gz MGJSJVNXXVTKQY-RKDXNWHRSA-N 1 0 256.306 -1.570 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280566377 780783763 /nfs/dbraw/zinc/78/37/63/780783763.db2.gz MGEMLRPPLYKNAB-LLVKDONJSA-N 1 0 283.328 -1.671 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)COC)CCO1 ZINC001280549205 780784002 /nfs/dbraw/zinc/78/40/02/780784002.db2.gz SNOIABDLXZYMSM-NSHDSACASA-N 1 0 285.344 -1.248 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 ZINC001280569762 780784145 /nfs/dbraw/zinc/78/41/45/780784145.db2.gz LDVJUWLWDLQQBU-NWDGAFQWSA-N 1 0 279.340 -1.037 20 30 CAEDRO NC(=O)C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001280582928 780785076 /nfs/dbraw/zinc/78/50/76/780785076.db2.gz MKWKDLFFHITWEK-NSHDSACASA-N 1 0 265.313 -1.298 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 ZINC001280618465 780785140 /nfs/dbraw/zinc/78/51/40/780785140.db2.gz AJLAVEOIZLODND-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001280602179 780785310 /nfs/dbraw/zinc/78/53/10/780785310.db2.gz XULWCEGLHQYRIB-NSHDSACASA-N 1 0 293.327 -1.115 20 30 CAEDRO C=CCOCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001281102849 780795146 /nfs/dbraw/zinc/79/51/46/780795146.db2.gz BYFZBKWDKISUQD-NWDGAFQWSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2ncnn2)C1 ZINC001281120230 780796571 /nfs/dbraw/zinc/79/65/71/780796571.db2.gz IARKJFQIEWIVRW-GFCCVEGCSA-N 1 0 278.316 -1.751 20 30 CAEDRO C#CCOCCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001281120166 780797020 /nfs/dbraw/zinc/79/70/20/780797020.db2.gz HNKDIFDPBQPNRT-CQSZACIVSA-N 1 0 297.355 -1.545 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2ncnn2)C1 ZINC001281120232 780797156 /nfs/dbraw/zinc/79/71/56/780797156.db2.gz IARKJFQIEWIVRW-LBPRGKRZSA-N 1 0 278.316 -1.751 20 30 CAEDRO C#CCOCCC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001281120165 780797194 /nfs/dbraw/zinc/79/71/94/780797194.db2.gz HNKDIFDPBQPNRT-AWEZNQCLSA-N 1 0 297.355 -1.545 20 30 CAEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CNC(=O)NC)C1 ZINC001281137192 780797233 /nfs/dbraw/zinc/79/72/33/780797233.db2.gz KHTDSDFKJQUPGD-AWEZNQCLSA-N 1 0 296.371 -1.118 20 30 CAEDRO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001281389855 780802054 /nfs/dbraw/zinc/80/20/54/780802054.db2.gz XVGGGKQZAPIXFT-IUCAKERBSA-N 1 0 281.316 -2.062 20 30 CAEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001281389399 780802320 /nfs/dbraw/zinc/80/23/20/780802320.db2.gz WFICBPZAQIAXDD-UWVGGRQHSA-N 1 0 298.343 -1.180 20 30 CAEDRO C=CCOCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001281389400 780802806 /nfs/dbraw/zinc/80/28/06/780802806.db2.gz WFICBPZAQIAXDD-VHSXEESVSA-N 1 0 298.343 -1.180 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001281603437 780803794 /nfs/dbraw/zinc/80/37/94/780803794.db2.gz NVUBCJDCXSBFIS-CYBMUJFWSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001281713173 780806759 /nfs/dbraw/zinc/80/67/59/780806759.db2.gz OLMMKIMVLAPCRZ-UWVGGRQHSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001281713179 780807110 /nfs/dbraw/zinc/80/71/10/780807110.db2.gz OLMMKIMVLAPCRZ-VHSXEESVSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1[nH]nnc1C ZINC001281740074 780807579 /nfs/dbraw/zinc/80/75/79/780807579.db2.gz MJQJNVULFAUOBS-VIFPVBQESA-N 1 0 292.343 -1.039 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001281820419 780807848 /nfs/dbraw/zinc/80/78/48/780807848.db2.gz DHLICCWHJVMXIV-UHFFFAOYSA-N 1 0 277.328 -1.077 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001281810882 780808386 /nfs/dbraw/zinc/80/83/86/780808386.db2.gz XPKNJZFZFXXWOK-JTQLQIEISA-N 1 0 282.344 -1.381 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C(N)=O)C1 ZINC001282053501 780811131 /nfs/dbraw/zinc/81/11/31/780811131.db2.gz VDRMLVNMRZNVNP-UHFFFAOYSA-N 1 0 266.301 -2.295 20 30 CAEDRO CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)CC(N)=O ZINC001282288949 780813545 /nfs/dbraw/zinc/81/35/45/780813545.db2.gz PEPSLRHTPNYEPQ-UHFFFAOYSA-N 1 0 297.359 -1.424 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1nnc[nH]1 ZINC001282207895 780815255 /nfs/dbraw/zinc/81/52/55/780815255.db2.gz RBWYHCHFZNRSSR-BDAKNGLRSA-N 1 0 278.316 -1.350 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1(NC(=O)C(N)=O)CCCCC1 ZINC001282619473 780822481 /nfs/dbraw/zinc/82/24/81/780822481.db2.gz VJQNHWKGSHHGDY-UHFFFAOYSA-N 1 0 295.343 -1.480 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001282861619 780824523 /nfs/dbraw/zinc/82/45/23/780824523.db2.gz OYTQJHJEFUCVRG-CNDDSTCGSA-N 1 0 299.396 -1.147 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001282861049 780824756 /nfs/dbraw/zinc/82/47/56/780824756.db2.gz YHQVIGITHBZRAI-CNDDSTCGSA-N 1 0 274.328 -1.010 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001282877354 780825083 /nfs/dbraw/zinc/82/50/83/780825083.db2.gz YYLXHEXIQXNWSQ-CNDDSTCGSA-N 1 0 299.396 -1.018 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001282887571 780825840 /nfs/dbraw/zinc/82/58/40/780825840.db2.gz WPLHQMNFLPLSCS-RTCCRHLQSA-N 1 0 290.323 -1.535 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001282911904 780827943 /nfs/dbraw/zinc/82/79/43/780827943.db2.gz BJILWYRQWGGBIU-WDEREUQCSA-N 1 0 283.328 -1.673 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001282911903 780828105 /nfs/dbraw/zinc/82/81/05/780828105.db2.gz BJILWYRQWGGBIU-QWRGUYRKSA-N 1 0 283.328 -1.673 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001283077311 780841931 /nfs/dbraw/zinc/84/19/31/780841931.db2.gz CMLGESMOHLVWAT-SRVKXCTJSA-N 1 0 294.355 -1.516 20 30 CAEDRO CC#CC[N@H+](C)CCOCCNC(=O)CC(N)=O ZINC001283364185 780852236 /nfs/dbraw/zinc/85/22/36/780852236.db2.gz VQSSGNVEOAZXQV-UHFFFAOYSA-N 1 0 255.318 -1.050 20 30 CAEDRO C[C@H](CN(C)C(=O)Cn1cccn1)[NH2+]CC(=O)NCC#N ZINC001283570370 780854602 /nfs/dbraw/zinc/85/46/02/780854602.db2.gz DIZILBGFSKFKMR-LLVKDONJSA-N 1 0 292.343 -1.041 20 30 CAEDRO C[C@H](CN(C)C(=O)[C@H](C)C#N)[NH2+]CC(=O)NC(N)=O ZINC001283581219 780854828 /nfs/dbraw/zinc/85/48/28/780854828.db2.gz FUOIAPFCXYESMC-HTQZYQBOSA-N 1 0 269.305 -1.223 20 30 CAEDRO C[C@@H](CN(C)C(=O)[C@@H](C)C#N)[NH2+]CC(=O)NC(N)=O ZINC001283581222 780854979 /nfs/dbraw/zinc/85/49/79/780854979.db2.gz FUOIAPFCXYESMC-YUMQZZPRSA-N 1 0 269.305 -1.223 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CCOCC1 ZINC001283723831 780857384 /nfs/dbraw/zinc/85/73/84/780857384.db2.gz MHDWYZBGZDWSRG-LBPRGKRZSA-N 1 0 299.371 -1.218 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001283664713 780857500 /nfs/dbraw/zinc/85/75/00/780857500.db2.gz OCDIYLVHNNRHMF-NXEZZACHSA-N 1 0 295.343 -2.146 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001283664716 780857558 /nfs/dbraw/zinc/85/75/58/780857558.db2.gz OCDIYLVHNNRHMF-ZJUUUORDSA-N 1 0 295.343 -2.146 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)COC ZINC001283722482 780857709 /nfs/dbraw/zinc/85/77/09/780857709.db2.gz HVTGUGBENXOUFJ-VIFPVBQESA-N 1 0 257.290 -2.551 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCNC(N)=O ZINC001283715672 780858009 /nfs/dbraw/zinc/85/80/09/780858009.db2.gz YYLGPIDQDFYDCM-SNVBAGLBSA-N 1 0 297.359 -1.769 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CNC(C)=O ZINC001283733902 780858586 /nfs/dbraw/zinc/85/85/86/780858586.db2.gz RGIFRZLYWRNIQN-LLVKDONJSA-N 1 0 271.317 -2.161 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)SC ZINC001283735340 780858843 /nfs/dbraw/zinc/85/88/43/780858843.db2.gz SNVRAQXLYYJQOC-ZJUUUORDSA-N 1 0 287.385 -1.446 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001283742130 780858978 /nfs/dbraw/zinc/85/89/78/780858978.db2.gz GABAKXWYPILPNM-SECBINFHSA-N 1 0 251.290 -1.563 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001283741585 780858991 /nfs/dbraw/zinc/85/89/91/780858991.db2.gz ANILSOUQHWPBNY-UWVGGRQHSA-N 1 0 253.302 -1.788 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001283733964 780859221 /nfs/dbraw/zinc/85/92/21/780859221.db2.gz RPUUZWIIDSEHCV-VXGBXAGGSA-N 1 0 270.329 -1.118 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001283733532 780859456 /nfs/dbraw/zinc/85/94/56/780859456.db2.gz NBOIHNDHQXWING-CMPLNLGQSA-N 1 0 285.344 -1.773 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cscn1 ZINC001283745116 780859948 /nfs/dbraw/zinc/85/99/48/780859948.db2.gz IJIHQEJJNCTLGW-MRVPVSSYSA-N 1 0 297.340 -1.537 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001283744175 780860070 /nfs/dbraw/zinc/86/00/70/780860070.db2.gz KDPSUCNAJZLYBS-GFCCVEGCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCCC(=O)NC ZINC001283744939 780860330 /nfs/dbraw/zinc/86/03/30/780860330.db2.gz OGYMTSZGYTWBCI-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001283743267 780860824 /nfs/dbraw/zinc/86/08/24/780860824.db2.gz FTSDEWGVOKRSND-GFCCVEGCSA-N 1 0 271.361 -1.039 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1=CCCC1 ZINC001283742806 780860847 /nfs/dbraw/zinc/86/08/47/780860847.db2.gz NUUJIRNOAMGELE-LLVKDONJSA-N 1 0 280.328 -1.197 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283747317 780861260 /nfs/dbraw/zinc/86/12/60/780861260.db2.gz VJZIHOZTALGBPM-ZJUUUORDSA-N 1 0 268.317 -1.555 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)C[C@@H](C)NC(N)=O ZINC001283755910 780861348 /nfs/dbraw/zinc/86/13/48/780861348.db2.gz KPBUGMFTAUZTLR-BDAKNGLRSA-N 1 0 258.322 -1.314 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCN(C)C1=O ZINC001283747611 780861417 /nfs/dbraw/zinc/86/14/17/780861417.db2.gz WXHGUPTXNMELBN-NWDGAFQWSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC1(F)F ZINC001283755509 780861497 /nfs/dbraw/zinc/86/14/97/780861497.db2.gz ILCCWUILXSJKQV-BDAKNGLRSA-N 1 0 289.282 -1.542 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCCC(=O)NC ZINC001283745802 780861758 /nfs/dbraw/zinc/86/17/58/780861758.db2.gz TVNXYSGIFJZZIV-NSHDSACASA-N 1 0 269.345 -1.007 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283747314 780861787 /nfs/dbraw/zinc/86/17/87/780861787.db2.gz VJZIHOZTALGBPM-NXEZZACHSA-N 1 0 268.317 -1.555 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC1(F)F ZINC001283755510 780862071 /nfs/dbraw/zinc/86/20/71/780862071.db2.gz ILCCWUILXSJKQV-DTWKUNHWSA-N 1 0 289.282 -1.542 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCN1CC ZINC001283769520 780862834 /nfs/dbraw/zinc/86/28/34/780862834.db2.gz FATHJDULUZTHGC-OLZOCXBDSA-N 1 0 283.372 -1.203 20 30 CAEDRO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001283756087 780862879 /nfs/dbraw/zinc/86/28/79/780862879.db2.gz LBUYZCGLUSXVSI-VXGBXAGGSA-N 1 0 270.329 -1.526 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CNC(=O)N1CCCC1 ZINC001283757002 780862923 /nfs/dbraw/zinc/86/29/23/780862923.db2.gz PTMBMEATVXEYSF-GFCCVEGCSA-N 1 0 296.371 -1.118 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001283770114 780862977 /nfs/dbraw/zinc/86/29/77/780862977.db2.gz JBUKJVSAKGUKGR-SECBINFHSA-N 1 0 289.295 -1.023 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001283764387 780863002 /nfs/dbraw/zinc/86/30/02/780863002.db2.gz LHVMWDQZXNBHFJ-VHSXEESVSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001283764378 780863055 /nfs/dbraw/zinc/86/30/55/780863055.db2.gz LHVMWDQZXNBHFJ-NXEZZACHSA-N 1 0 253.302 -1.835 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CNC(=O)N1CCCC1 ZINC001283757003 780863084 /nfs/dbraw/zinc/86/30/84/780863084.db2.gz PTMBMEATVXEYSF-LBPRGKRZSA-N 1 0 296.371 -1.118 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1COCCN1CC ZINC001283769521 780863217 /nfs/dbraw/zinc/86/32/17/780863217.db2.gz FATHJDULUZTHGC-QWHCGFSZSA-N 1 0 283.372 -1.203 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001283756683 780863248 /nfs/dbraw/zinc/86/32/48/780863248.db2.gz OINXTIFXSMDITC-LBPRGKRZSA-N 1 0 294.355 -1.508 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CNS(=O)(=O)CC ZINC001283763171 780863272 /nfs/dbraw/zinc/86/32/72/780863272.db2.gz GMRLUUAZIGCJLZ-SECBINFHSA-N 1 0 277.346 -2.374 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283757158 780863646 /nfs/dbraw/zinc/86/36/46/780863646.db2.gz QFQVRBLNXBFKNR-NWDGAFQWSA-N 1 0 297.355 -1.676 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001283764025 780863667 /nfs/dbraw/zinc/86/36/67/780863667.db2.gz JJCHZNDOCLOLEI-GHMZBOCLSA-N 1 0 295.339 -1.386 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001283764027 780863793 /nfs/dbraw/zinc/86/37/93/780863793.db2.gz JJCHZNDOCLOLEI-QWRGUYRKSA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001283759347 780863864 /nfs/dbraw/zinc/86/38/64/780863864.db2.gz GMGSIDAJCLGULS-SNVBAGLBSA-N 1 0 274.342 -1.879 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001283757547 780864052 /nfs/dbraw/zinc/86/40/52/780864052.db2.gz UQDIQIWISKSSTI-JTQLQIEISA-N 1 0 298.343 -1.832 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001283759922 780864138 /nfs/dbraw/zinc/86/41/38/780864138.db2.gz ODPQDARBMRNERI-VIFPVBQESA-N 1 0 280.332 -1.258 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135231669 781354353 /nfs/dbraw/zinc/35/43/53/781354353.db2.gz KEPANHNJHAOTPY-GHMZBOCLSA-N 1 0 294.355 -1.501 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135222853 781354457 /nfs/dbraw/zinc/35/44/57/781354457.db2.gz MNNXOJRXQYCVCF-SECBINFHSA-N 1 0 281.316 -1.999 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135231671 781355131 /nfs/dbraw/zinc/35/51/31/781355131.db2.gz KEPANHNJHAOTPY-QWRGUYRKSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135250879 781355819 /nfs/dbraw/zinc/35/58/19/781355819.db2.gz XNXRFVSCAVZCST-UHFFFAOYSA-N 1 0 280.328 -2.032 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135263234 781356099 /nfs/dbraw/zinc/35/60/99/781356099.db2.gz OHLXPOPTEAOJQG-JTQLQIEISA-N 1 0 296.371 -1.091 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135276892 781356564 /nfs/dbraw/zinc/35/65/64/781356564.db2.gz KVJOPSHMJMQZMX-UHFFFAOYSA-N 1 0 295.299 -2.615 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270288 781357574 /nfs/dbraw/zinc/35/75/74/781357574.db2.gz WXJHFNZNVAOQOZ-UHFFFAOYSA-N 1 0 281.312 -1.605 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135283264 781357690 /nfs/dbraw/zinc/35/76/90/781357690.db2.gz QKVCZIDEUNGIBE-UHFFFAOYSA-N 1 0 251.290 -1.216 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270624 781358551 /nfs/dbraw/zinc/35/85/51/781358551.db2.gz YVDUGMDEVNZCPR-UHFFFAOYSA-N 1 0 294.311 -2.506 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286796 781360311 /nfs/dbraw/zinc/36/03/11/781360311.db2.gz JLVXOOIKDIWCCC-VIFPVBQESA-N 1 0 280.332 -1.175 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135340129 781361157 /nfs/dbraw/zinc/36/11/57/781361157.db2.gz OOXAYLQPPVUBOI-IUCAKERBSA-N 1 0 268.317 -1.906 20 30 CAEDRO C[C@H](C[C@H](C)NC(=O)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001135340653 781361487 /nfs/dbraw/zinc/36/14/87/781361487.db2.gz VIJHDIOIXSFNNG-SFYZADRCSA-N 1 0 269.305 -2.016 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135343682 781362155 /nfs/dbraw/zinc/36/21/55/781362155.db2.gz FQGPQBXBGKTXAB-UWVGGRQHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135340171 781361977 /nfs/dbraw/zinc/36/19/77/781361977.db2.gz OWNFQLINLGNHQO-BDAKNGLRSA-N 1 0 270.333 -1.353 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135340172 781362184 /nfs/dbraw/zinc/36/21/84/781362184.db2.gz OWNFQLINLGNHQO-DTWKUNHWSA-N 1 0 270.333 -1.353 20 30 CAEDRO N#C[C@H](Nc1ncccc1C(=O)N1CC[NH2+]CC1)C(N)=O ZINC001159466142 781363536 /nfs/dbraw/zinc/36/35/36/781363536.db2.gz AUJHATGJXOPZGA-JTQLQIEISA-N 1 0 288.311 -1.084 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COc1cccnc1 ZINC001135344355 781363739 /nfs/dbraw/zinc/36/37/39/781363739.db2.gz OTHYFJZGAXMGKH-UHFFFAOYSA-N 1 0 290.323 -1.084 20 30 CAEDRO N#C[C@@H](Nc1cncc(N2CC[NH2+]CC2)n1)C(N)=O ZINC001159466774 781363882 /nfs/dbraw/zinc/36/38/82/781363882.db2.gz HXSXINDSJNAOFJ-MRVPVSSYSA-N 1 0 261.289 -1.324 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381162 781364401 /nfs/dbraw/zinc/36/44/01/781364401.db2.gz REMRBSQQHRSNGL-JTQLQIEISA-N 1 0 296.371 -1.255 20 30 CAEDRO C=CC[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135387054 781364854 /nfs/dbraw/zinc/36/48/54/781364854.db2.gz JSDDUMNOOUUMLB-JTQLQIEISA-N 1 0 270.333 -1.352 20 30 CAEDRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135381325 781365167 /nfs/dbraw/zinc/36/51/67/781365167.db2.gz YYKWSNKWEHBJRP-UHFFFAOYSA-N 1 0 283.332 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135379425 781365343 /nfs/dbraw/zinc/36/53/43/781365343.db2.gz QJFBWFHJKKAEAY-UHFFFAOYSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135387266 781365378 /nfs/dbraw/zinc/36/53/78/781365378.db2.gz OSANJMXBKATVQY-UHFFFAOYSA-N 1 0 264.285 -1.734 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135385171 781365502 /nfs/dbraw/zinc/36/55/02/781365502.db2.gz SUPXOSWVOLNOHD-LLVKDONJSA-N 1 0 282.344 -1.514 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135443876 781366885 /nfs/dbraw/zinc/36/68/85/781366885.db2.gz IKXQEHKUJBSTIC-UHFFFAOYSA-N 1 0 284.316 -1.553 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135447565 781369392 /nfs/dbraw/zinc/36/93/92/781369392.db2.gz IDPOVFNKASLQMP-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2nnc[nH]2)C1=O ZINC001135523263 781370361 /nfs/dbraw/zinc/37/03/61/781370361.db2.gz DPPHBRBDUZSXIU-VIFPVBQESA-N 1 0 278.316 -1.089 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135521174 781370491 /nfs/dbraw/zinc/37/04/91/781370491.db2.gz VYUDNBDIHAWFST-UHFFFAOYSA-N 1 0 293.331 -1.114 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135519875 781372468 /nfs/dbraw/zinc/37/24/68/781372468.db2.gz DHXROICLTWJGIQ-UHFFFAOYSA-N 1 0 251.250 -2.236 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccncn1 ZINC001135539532 781373255 /nfs/dbraw/zinc/37/32/55/781373255.db2.gz ZAHXKLSJQHTDQP-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnon1 ZINC001135573892 781376957 /nfs/dbraw/zinc/37/69/57/781376957.db2.gz YYPTUAXGWRRMKZ-UHFFFAOYSA-N 1 0 296.287 -1.599 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1ncccn1 ZINC001135555993 781377118 /nfs/dbraw/zinc/37/71/18/781377118.db2.gz HMLBUEVTYGLOSY-UHFFFAOYSA-N 1 0 289.339 -1.136 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677585 781379505 /nfs/dbraw/zinc/37/95/05/781379505.db2.gz PKUYVZYGXKMTAD-UHFFFAOYSA-N 1 0 266.305 -1.581 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702497 781381890 /nfs/dbraw/zinc/38/18/90/781381890.db2.gz JTOYOKLMWSCHEC-SNVBAGLBSA-N 1 0 295.347 -1.540 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135684678 781381936 /nfs/dbraw/zinc/38/19/36/781381936.db2.gz SIYWNCKGDTUODS-UHFFFAOYSA-N 1 0 280.292 -2.591 20 30 CAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nnc[nH]1 ZINC001135705841 781382134 /nfs/dbraw/zinc/38/21/34/781382134.db2.gz JWLDRCIQTQNWAM-IUCAKERBSA-N 1 0 293.331 -1.069 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702496 781382458 /nfs/dbraw/zinc/38/24/58/781382458.db2.gz JTOYOKLMWSCHEC-JTQLQIEISA-N 1 0 295.347 -1.540 20 30 CAEDRO C[C@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135780938 781383735 /nfs/dbraw/zinc/38/37/35/781383735.db2.gz KPBMQVUJKPATPJ-NXEZZACHSA-N 1 0 268.317 -1.243 20 30 CAEDRO C[C@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135780943 781384531 /nfs/dbraw/zinc/38/45/31/781384531.db2.gz KPBMQVUJKPATPJ-ZJUUUORDSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C ZINC001135783638 781385388 /nfs/dbraw/zinc/38/53/88/781385388.db2.gz SFMQKZFZRIQFJU-QWRGUYRKSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135812859 781385736 /nfs/dbraw/zinc/38/57/36/781385736.db2.gz GMAGMQKHJUZFBM-UHFFFAOYSA-N 1 0 291.311 -1.818 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCOC1 ZINC001135781550 781386072 /nfs/dbraw/zinc/38/60/72/781386072.db2.gz PYDYFVQZHFWXMR-ZDUSSCGKSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C ZINC001135783639 781386269 /nfs/dbraw/zinc/38/62/69/781386269.db2.gz SFMQKZFZRIQFJU-WDEREUQCSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135906298 781387863 /nfs/dbraw/zinc/38/78/63/781387863.db2.gz ZYIRDHZHAWRUGZ-UHFFFAOYSA-N 1 0 280.328 -2.032 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135913626 781389484 /nfs/dbraw/zinc/38/94/84/781389484.db2.gz FMCFFJCQGUKFAR-JTQLQIEISA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135910838 781390297 /nfs/dbraw/zinc/39/02/97/781390297.db2.gz NQFLAMJIJUXHED-SNVBAGLBSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001136001688 781390706 /nfs/dbraw/zinc/39/07/06/781390706.db2.gz UHKNZYFZFSYWRE-JTQLQIEISA-N 1 0 292.343 -1.245 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001135994467 781391225 /nfs/dbraw/zinc/39/12/25/781391225.db2.gz VOMRJVZWOLUPSS-UHFFFAOYSA-N 1 0 278.316 -1.633 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090526943 781394604 /nfs/dbraw/zinc/39/46/04/781394604.db2.gz VSINCOSWDBQJAU-ZYHUDNBSSA-N 1 0 290.323 -1.042 20 30 CAEDRO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535897 781405647 /nfs/dbraw/zinc/40/56/47/781405647.db2.gz XKLGRSYXFAHJCU-VHSXEESVSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535896 781405948 /nfs/dbraw/zinc/40/59/48/781405948.db2.gz XKLGRSYXFAHJCU-UWVGGRQHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090535895 781406439 /nfs/dbraw/zinc/40/64/39/781406439.db2.gz XKLGRSYXFAHJCU-NXEZZACHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090635132 781414320 /nfs/dbraw/zinc/41/43/20/781414320.db2.gz ZWRVLIKLYRZYFB-JQWIXIFHSA-N 1 0 295.343 -1.379 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001090641203 781414951 /nfs/dbraw/zinc/41/49/51/781414951.db2.gz ODWYTRMOPDOOCD-QWRGUYRKSA-N 1 0 295.339 -1.223 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090635134 781415033 /nfs/dbraw/zinc/41/50/33/781415033.db2.gz ZWRVLIKLYRZYFB-ZYHUDNBSSA-N 1 0 295.343 -1.379 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090654091 781417205 /nfs/dbraw/zinc/41/72/05/781417205.db2.gz FMDYIPFZSBLDKF-ZJUUUORDSA-N 1 0 294.311 -2.277 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001090657501 781418021 /nfs/dbraw/zinc/41/80/21/781418021.db2.gz CMUUTUMYOVTZHC-VHSXEESVSA-N 1 0 263.301 -1.007 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090715271 781424304 /nfs/dbraw/zinc/42/43/04/781424304.db2.gz HOJAXVLIGMMWDB-WDEREUQCSA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090787195 781430911 /nfs/dbraw/zinc/43/09/11/781430911.db2.gz NGWUHYMTJWIWKG-VXGBXAGGSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090795845 781432974 /nfs/dbraw/zinc/43/29/74/781432974.db2.gz ZQJNKKASJGPGKG-NXEZZACHSA-N 1 0 296.327 -1.724 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090795848 781433362 /nfs/dbraw/zinc/43/33/62/781433362.db2.gz ZQJNKKASJGPGKG-ZJUUUORDSA-N 1 0 296.327 -1.724 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCNC1=O ZINC001160433233 781439674 /nfs/dbraw/zinc/43/96/74/781439674.db2.gz KBPGZRLOUQTNRK-LLVKDONJSA-N 1 0 294.355 -1.642 20 30 CAEDRO [NH3+]CCN(CCNC(=O)CCS)N(O)N=O ZINC001143993056 781442016 /nfs/dbraw/zinc/44/20/16/781442016.db2.gz NOQGQANQOSCUFJ-UHFFFAOYSA-N 1 0 251.312 -1.029 20 30 CAEDRO CN(CC(=O)Nc1nc(C#N)c(C#N)nc1N)C(N)=[NH2+] ZINC001144128989 781445557 /nfs/dbraw/zinc/44/55/57/781445557.db2.gz RXURFIDHHXYYOQ-UHFFFAOYSA-N 1 0 273.260 -1.434 20 30 CAEDRO CC(=O)N[C@@H](CS)C(=O)NCCN1CC2(COC2)C1 ZINC001144426807 781456374 /nfs/dbraw/zinc/45/63/74/781456374.db2.gz HZHLNAFIIODBIR-JTQLQIEISA-N 1 0 287.385 -1.131 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001091211045 781463661 /nfs/dbraw/zinc/46/36/61/781463661.db2.gz FLXNEGRMUONMMO-UDNWOFFPSA-N 1 0 250.302 -1.215 20 30 CAEDRO Cn1cncc1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171238084 781466616 /nfs/dbraw/zinc/46/66/16/781466616.db2.gz LMPZBYCBSOINRG-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001091376450 781477393 /nfs/dbraw/zinc/47/73/93/781477393.db2.gz YWVCXFGBHCKYNM-UHFFFAOYSA-N 1 0 290.327 -1.505 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H]1CN(CC(N)=O)CCCO1 ZINC001149407715 781480739 /nfs/dbraw/zinc/48/07/39/781480739.db2.gz OFGMPCSYQQJTIJ-UWVGGRQHSA-N 1 0 268.317 -1.162 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H]1CN(CC(N)=O)CCCO1 ZINC001149407722 781480869 /nfs/dbraw/zinc/48/08/69/781480869.db2.gz OFGMPCSYQQJTIJ-ZJUUUORDSA-N 1 0 268.317 -1.162 20 30 CAEDRO C#CC[NH2+]CCNC(=O)COCc1nncn1C ZINC001146201437 781482105 /nfs/dbraw/zinc/48/21/05/781482105.db2.gz ZTTRUMBXAFOXAI-UHFFFAOYSA-N 1 0 251.290 -1.329 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)COCc1nncn1C ZINC001146208176 781482446 /nfs/dbraw/zinc/48/24/46/781482446.db2.gz KMWXWPCCPTWWJJ-UHFFFAOYSA-N 1 0 295.343 -1.313 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146183572 781482534 /nfs/dbraw/zinc/48/25/34/781482534.db2.gz PGHLRDOATGWQHQ-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO Cc1nonc1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146251817 781483678 /nfs/dbraw/zinc/48/36/78/781483678.db2.gz PIWLBSKWJVJQRS-UHFFFAOYSA-N 1 0 280.288 -1.734 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1nonc1C ZINC001146251488 781483762 /nfs/dbraw/zinc/48/37/62/781483762.db2.gz MNGHUOGOTQWVOQ-UHFFFAOYSA-N 1 0 281.316 -1.071 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1nonc1C ZINC001146244301 781484071 /nfs/dbraw/zinc/48/40/71/781484071.db2.gz ONSCSJNQYJTAFM-UHFFFAOYSA-N 1 0 279.300 -1.624 20 30 CAEDRO COc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001146668186 781490175 /nfs/dbraw/zinc/49/01/75/781490175.db2.gz INOQHLSQGJVNRZ-UHFFFAOYSA-N 1 0 292.299 -1.556 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146796711 781491818 /nfs/dbraw/zinc/49/18/18/781491818.db2.gz TWONWBZTGUHRPI-UHFFFAOYSA-N 1 0 292.343 -1.487 20 30 CAEDRO Cc1conc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146833613 781492486 /nfs/dbraw/zinc/49/24/86/781492486.db2.gz HYFBFNJKZRZTON-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146787667 781492836 /nfs/dbraw/zinc/49/28/36/781492836.db2.gz AATBEYHWPPFWMH-UHFFFAOYSA-N 1 0 293.331 -1.596 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146999277 781497471 /nfs/dbraw/zinc/49/74/71/781497471.db2.gz FXXGVGDHFYRQKW-UHFFFAOYSA-N 1 0 250.302 -1.178 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001147003027 781497835 /nfs/dbraw/zinc/49/78/35/781497835.db2.gz CCVWNTXBOADCMV-GXFFZTMASA-N 1 0 280.328 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NCC1CC1 ZINC001147084171 781499518 /nfs/dbraw/zinc/49/95/18/781499518.db2.gz JQYGOEXPDAXKHU-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051995 781500335 /nfs/dbraw/zinc/50/03/35/781500335.db2.gz ZWVCLKGRQIEHJL-VIFPVBQESA-N 1 0 279.304 -2.483 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCCC(N)=O ZINC001147118781 781500920 /nfs/dbraw/zinc/50/09/20/781500920.db2.gz BDDLZAFCQGIQDK-UHFFFAOYSA-N 1 0 282.344 -1.513 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCCCOC ZINC001147064506 781501081 /nfs/dbraw/zinc/50/10/81/781501081.db2.gz NJJNZZCEUJPOIH-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO C=CC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051355 781501474 /nfs/dbraw/zinc/50/14/74/781501474.db2.gz SQICFCNYOWDDEU-VIFPVBQESA-N 1 0 281.320 -1.930 20 30 CAEDRO C[C@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147167958 781502562 /nfs/dbraw/zinc/50/25/62/781502562.db2.gz OPRWHKVPGGLYLH-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCCC(N)=O ZINC001147150287 781502712 /nfs/dbraw/zinc/50/27/12/781502712.db2.gz USPYPKASMNFDKG-LLVKDONJSA-N 1 0 296.371 -1.124 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147167367 781503016 /nfs/dbraw/zinc/50/30/16/781503016.db2.gz HIKUKGRKDBQWEH-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO C[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147167962 781503067 /nfs/dbraw/zinc/50/30/67/781503067.db2.gz OPRWHKVPGGLYLH-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271522 781506690 /nfs/dbraw/zinc/50/66/90/781506690.db2.gz HNUFUJKAUMSXKK-VIFPVBQESA-N 1 0 280.332 -1.256 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147277780 781507416 /nfs/dbraw/zinc/50/74/16/781507416.db2.gz LIHIYRZLAUYGJG-UHFFFAOYSA-N 1 0 265.277 -2.307 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147277852 781507862 /nfs/dbraw/zinc/50/78/62/781507862.db2.gz OAFKCNCPAYCSBD-UHFFFAOYSA-N 1 0 251.290 -1.297 20 30 CAEDRO C=CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364384 781508980 /nfs/dbraw/zinc/50/89/80/781508980.db2.gz SQICFCNYOWDDEU-SECBINFHSA-N 1 0 281.320 -1.930 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cnn(CC)c1 ZINC001147369157 781509121 /nfs/dbraw/zinc/50/91/21/781509121.db2.gz LLXVHJQBSNNMEK-UHFFFAOYSA-N 1 0 291.355 -1.099 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147369016 781509268 /nfs/dbraw/zinc/50/92/68/781509268.db2.gz RKSZWVFNEGHVHM-UHFFFAOYSA-N 1 0 279.340 -1.348 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cnc1C ZINC001149124890 781512155 /nfs/dbraw/zinc/51/21/55/781512155.db2.gz XALYAQYNDPEBGR-UHFFFAOYSA-N 1 0 277.328 -1.284 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149432175 781513106 /nfs/dbraw/zinc/51/31/06/781513106.db2.gz IOKYMCHHTVAQHV-UHFFFAOYSA-N 1 0 293.389 -1.214 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1conc1COC ZINC001147550843 781513254 /nfs/dbraw/zinc/51/32/54/781513254.db2.gz CTZYKUIEIKXYCU-UHFFFAOYSA-N 1 0 294.311 -1.110 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149432403 781514574 /nfs/dbraw/zinc/51/45/74/781514574.db2.gz JNZJQOMDWLOAIA-UHFFFAOYSA-N 1 0 291.373 -1.767 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147725261 781520414 /nfs/dbraw/zinc/52/04/14/781520414.db2.gz DHRJYJNIWYUMRW-UHFFFAOYSA-N 1 0 274.284 -1.240 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cncn1C ZINC001147908508 781525610 /nfs/dbraw/zinc/52/56/10/781525610.db2.gz XMFZDCVIRBEJRY-LLVKDONJSA-N 1 0 291.355 -1.194 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCC(=O)NCCC ZINC001148198012 781528005 /nfs/dbraw/zinc/52/80/05/781528005.db2.gz HTXTYPAQMZMXPN-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO CCNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148184447 781529048 /nfs/dbraw/zinc/52/90/48/781529048.db2.gz PUUDOMBPUBLKIK-UHFFFAOYSA-N 1 0 297.359 -1.362 20 30 CAEDRO CCc1nc[nH]c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149448608 781529740 /nfs/dbraw/zinc/52/97/40/781529740.db2.gz VCZZOCOTXGAGJX-UHFFFAOYSA-N 1 0 278.316 -1.069 20 30 CAEDRO C#CCOc1ncccc1C(=O)NCC[NH2+]CC(N)=O ZINC001148302474 781529797 /nfs/dbraw/zinc/52/97/97/781529797.db2.gz NMZSUFBZTGVSMC-UHFFFAOYSA-N 1 0 276.296 -1.102 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148296919 781529889 /nfs/dbraw/zinc/52/98/89/781529889.db2.gz FZDLLLQZFNGZDL-UHFFFAOYSA-N 1 0 290.323 -1.546 20 30 CAEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cn1 ZINC001148382816 781532315 /nfs/dbraw/zinc/53/23/15/781532315.db2.gz GJDXLTXQAMEXBC-UHFFFAOYSA-N 1 0 289.295 -1.423 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001148433802 781533210 /nfs/dbraw/zinc/53/32/10/781533210.db2.gz VYFSRAUQHMDJFE-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148465999 781535471 /nfs/dbraw/zinc/53/54/71/781535471.db2.gz QOLIWPWQKOUZMH-CYBMUJFWSA-N 1 0 296.371 -1.398 20 30 CAEDRO CN1C(=O)CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149456447 781539559 /nfs/dbraw/zinc/53/95/59/781539559.db2.gz YQVJIMNFILICNI-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 ZINC001093011911 781549816 /nfs/dbraw/zinc/54/98/16/781549816.db2.gz RZJMJIVKGLYYLP-MXWKQRLJSA-N 1 0 292.339 -1.098 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C)C1 ZINC001093203077 781550473 /nfs/dbraw/zinc/55/04/73/781550473.db2.gz FTJQKBHVTMUZOT-IJLUTSLNSA-N 1 0 299.396 -1.005 20 30 CAEDRO C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094780317 781570591 /nfs/dbraw/zinc/57/05/91/781570591.db2.gz XXYMMKIFQUORLL-JTQLQIEISA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171615608 781570672 /nfs/dbraw/zinc/57/06/72/781570672.db2.gz BIKQXBIXXVWKFT-JTQLQIEISA-N 1 0 280.328 -1.890 20 30 CAEDRO CC(C)OCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172447638 781577300 /nfs/dbraw/zinc/57/73/00/781577300.db2.gz JEPNCVAPQXAGSV-NZEXEKPDSA-N 1 0 293.360 -1.578 20 30 CAEDRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001172918764 781577460 /nfs/dbraw/zinc/57/74/60/781577460.db2.gz MRJWMUPNZDYHAH-DVWMECQTSA-N 1 0 291.344 -1.824 20 30 CAEDRO C[C@H](CCCC#N)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172488704 781577702 /nfs/dbraw/zinc/57/77/02/781577702.db2.gz MTCBHVVQXXSASK-PAUJSFGCSA-N 1 0 274.317 -1.542 20 30 CAEDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001172918768 781577716 /nfs/dbraw/zinc/57/77/16/781577716.db2.gz MRJWMUPNZDYHAH-KISRQWFGSA-N 1 0 291.344 -1.824 20 30 CAEDRO C[C@@H](CCCC#N)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172488710 781578149 /nfs/dbraw/zinc/57/81/49/781578149.db2.gz MTCBHVVQXXSASK-VQJPJQAJSA-N 1 0 274.317 -1.542 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCNC(N)=O ZINC001150423512 781587036 /nfs/dbraw/zinc/58/70/36/781587036.db2.gz ICILASHGDZOZSZ-UHFFFAOYSA-N 1 0 256.306 -1.600 20 30 CAEDRO C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001175013340 781587413 /nfs/dbraw/zinc/58/74/13/781587413.db2.gz IJOSZYJOIBQMOH-SECBINFHSA-N 1 0 283.332 -1.624 20 30 CAEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001175013345 781588572 /nfs/dbraw/zinc/58/85/72/781588572.db2.gz IJOSZYJOIBQMOH-VIFPVBQESA-N 1 0 283.332 -1.624 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150466770 781588953 /nfs/dbraw/zinc/58/89/53/781588953.db2.gz LTGWEPKZIPHTDQ-UHFFFAOYSA-N 1 0 251.286 -1.136 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175033297 781589155 /nfs/dbraw/zinc/58/91/55/781589155.db2.gz MJOMDVDFUWPXKH-GHMZBOCLSA-N 1 0 296.371 -1.126 20 30 CAEDRO CN1CCCn2nc(C(=O)N[C@@H](C#N)C(N)=O)cc2C1 ZINC001175105162 781589945 /nfs/dbraw/zinc/58/99/45/781589945.db2.gz WCDXZHZAIBYNPB-JTQLQIEISA-N 1 0 276.300 -1.174 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175556672 781591922 /nfs/dbraw/zinc/59/19/22/781591922.db2.gz HGOWBKNGBJJHQN-UHFFFAOYSA-N 1 0 254.290 -1.180 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175541730 781592074 /nfs/dbraw/zinc/59/20/74/781592074.db2.gz MYWRKXHHQIFXMA-UHFFFAOYSA-N 1 0 298.343 -1.163 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cncn1 ZINC001175483334 781592226 /nfs/dbraw/zinc/59/22/26/781592226.db2.gz LDGSNUVNTBKEKI-NSHDSACASA-N 1 0 292.343 -1.488 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175558037 781592251 /nfs/dbraw/zinc/59/22/51/781592251.db2.gz WMPCYEVYDIFYCB-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001175575298 781593057 /nfs/dbraw/zinc/59/30/57/781593057.db2.gz OHEVFJRHOFOCER-VIFPVBQESA-N 1 0 266.301 -1.296 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175636451 781594310 /nfs/dbraw/zinc/59/43/10/781594310.db2.gz XLGSUXROZPUAAW-JTQLQIEISA-N 1 0 299.375 -1.169 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CN1C(=O)CCC1=O ZINC001175642418 781594439 /nfs/dbraw/zinc/59/44/39/781594439.db2.gz QNFOWFVVRFHMBK-UHFFFAOYSA-N 1 0 295.339 -1.119 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)c1nccnc1C(N)=O ZINC001175635559 781594909 /nfs/dbraw/zinc/59/49/09/781594909.db2.gz NWLUHBMTKHOERC-UHFFFAOYSA-N 1 0 261.285 -1.082 20 30 CAEDRO Cc1nccn1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176126093 781598227 /nfs/dbraw/zinc/59/82/27/781598227.db2.gz UNLKZXZPMVJHPB-UHFFFAOYSA-N 1 0 292.343 -1.073 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176287874 781599066 /nfs/dbraw/zinc/59/90/66/781599066.db2.gz DGBUJEBIGPVYDW-JTQLQIEISA-N 1 0 273.358 -1.203 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CNC(=O)Cn1cncn1 ZINC001176893741 781608143 /nfs/dbraw/zinc/60/81/43/781608143.db2.gz GZOUZCREIXXKKX-UHFFFAOYSA-N 1 0 278.316 -1.877 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)COCCOCC ZINC001177034220 781613364 /nfs/dbraw/zinc/61/33/64/781613364.db2.gz NSDZBPWTSNYWDI-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177386956 781618685 /nfs/dbraw/zinc/61/86/85/781618685.db2.gz VHNOIRGTOBGBJS-UHFFFAOYSA-N 1 0 283.332 -1.622 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1nonc1C ZINC001177438323 781620459 /nfs/dbraw/zinc/62/04/59/781620459.db2.gz BAXLOUQMAZOOPK-UHFFFAOYSA-N 1 0 279.300 -1.163 20 30 CAEDRO Cc1nonc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001177443471 781622097 /nfs/dbraw/zinc/62/20/97/781622097.db2.gz AYNBQWGUZVPYEE-UHFFFAOYSA-N 1 0 280.288 -1.273 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177601147 781623263 /nfs/dbraw/zinc/62/32/63/781623263.db2.gz OTQXALBVOURYNJ-NSHDSACASA-N 1 0 295.339 -1.215 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177601146 781623698 /nfs/dbraw/zinc/62/36/98/781623698.db2.gz OTQXALBVOURYNJ-LLVKDONJSA-N 1 0 295.339 -1.215 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CC(N)=O ZINC001178084758 781630584 /nfs/dbraw/zinc/63/05/84/781630584.db2.gz KHKFXQVZPDPUTP-UHFFFAOYSA-N 1 0 296.371 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178383633 781632335 /nfs/dbraw/zinc/63/23/35/781632335.db2.gz DIGHJGNJGUEQRL-UWVGGRQHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178332661 781633175 /nfs/dbraw/zinc/63/31/75/781633175.db2.gz ZJTAYLRQPGEOQG-UWVGGRQHSA-N 1 0 298.343 -1.037 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001178508354 781633996 /nfs/dbraw/zinc/63/39/96/781633996.db2.gz ACHTVYIXWWHONV-DCAQKATOSA-N 1 0 294.355 -1.421 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395445 781634527 /nfs/dbraw/zinc/63/45/27/781634527.db2.gz HWHHQYNAUVYIDJ-VWYCJHECSA-N 1 0 294.355 -1.421 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178544614 781635656 /nfs/dbraw/zinc/63/56/56/781635656.db2.gz MRJFWOQTPHVRSE-QWRGUYRKSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001178519902 781635841 /nfs/dbraw/zinc/63/58/41/781635841.db2.gz PJEBKEMJOFVZNU-QWRGUYRKSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC001179045738 781643836 /nfs/dbraw/zinc/64/38/36/781643836.db2.gz RKAVSZNYYLOEQS-UWVGGRQHSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446245 781647879 /nfs/dbraw/zinc/64/78/79/781647879.db2.gz DTOYBQQGBMEHSH-IUCAKERBSA-N 1 0 266.301 -2.200 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179431011 781647996 /nfs/dbraw/zinc/64/79/96/781647996.db2.gz KLKZWICCUAJGEB-SRVKXCTJSA-N 1 0 294.355 -1.103 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179446718 781649608 /nfs/dbraw/zinc/64/96/08/781649608.db2.gz AVOFRIHELJIDJA-LLVKDONJSA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CCC[C@@H](O)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001179489490 781649752 /nfs/dbraw/zinc/64/97/52/781649752.db2.gz PYUOCKCCOFNWIK-SNVBAGLBSA-N 1 0 251.290 -1.373 20 30 CAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cnon1 ZINC001179748718 781652594 /nfs/dbraw/zinc/65/25/94/781652594.db2.gz GTGCZVNPZJNSDU-IUCAKERBSA-N 1 0 292.299 -1.098 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC)C1 ZINC001180539468 781666037 /nfs/dbraw/zinc/66/60/37/781666037.db2.gz OPSIWBLRGPXRFG-SNVBAGLBSA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COC)C1 ZINC001180539737 781666202 /nfs/dbraw/zinc/66/62/02/781666202.db2.gz UJETVJIPBALWHQ-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180707550 781674218 /nfs/dbraw/zinc/67/42/18/781674218.db2.gz OEEYBEVPDHGCML-SNVBAGLBSA-N 1 0 281.316 -2.047 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC)C1 ZINC001180788186 781676676 /nfs/dbraw/zinc/67/66/76/781676676.db2.gz PZESCSRVQHUXSA-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001180817268 781677812 /nfs/dbraw/zinc/67/78/12/781677812.db2.gz MYYYPOYXWCHZMS-MNOVXSKESA-N 1 0 280.328 -1.004 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180827411 781678576 /nfs/dbraw/zinc/67/85/76/781678576.db2.gz CVVXNAWFWSZKEF-GXSJLCMTSA-N 1 0 295.343 -1.659 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180913837 781682351 /nfs/dbraw/zinc/68/23/51/781682351.db2.gz MIRZZLQKADOTJK-NXEZZACHSA-N 1 0 297.359 -1.464 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180913824 781682920 /nfs/dbraw/zinc/68/29/20/781682920.db2.gz MHFQJAYUPUGHDV-VHSXEESVSA-N 1 0 295.343 -2.017 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897758 781683686 /nfs/dbraw/zinc/68/36/86/781683686.db2.gz QEPOEWSPTQPICN-SECBINFHSA-N 1 0 281.316 -2.405 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001180958529 781684466 /nfs/dbraw/zinc/68/44/66/781684466.db2.gz HTJOOEJIEOKESE-LLVKDONJSA-N 1 0 290.327 -1.287 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150996824 781685490 /nfs/dbraw/zinc/68/54/90/781685490.db2.gz NUDWXNPRURTTPE-UHFFFAOYSA-N 1 0 273.358 -1.944 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001181074433 781686395 /nfs/dbraw/zinc/68/63/95/781686395.db2.gz ASXIJHOKFQRIPI-NEPJUHHUSA-N 1 0 295.339 -1.658 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001181160804 781686725 /nfs/dbraw/zinc/68/67/25/781686725.db2.gz SELNLTXKQYBIQN-SNVBAGLBSA-N 1 0 276.300 -1.146 20 30 CAEDRO N#CCSCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181107152 781686765 /nfs/dbraw/zinc/68/67/65/781686765.db2.gz SDRIOMBHRYLKMY-MRVPVSSYSA-N 1 0 299.356 -1.371 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001181160860 781686856 /nfs/dbraw/zinc/68/68/56/781686856.db2.gz ULNGTSNNTGUREO-LLVKDONJSA-N 1 0 275.312 -1.037 20 30 CAEDRO N#CCSCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001181106847 781686935 /nfs/dbraw/zinc/68/69/35/781686935.db2.gz MPSHDPUCCXNXGZ-MRVPVSSYSA-N 1 0 256.331 -1.081 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181251458 781690953 /nfs/dbraw/zinc/69/09/53/781690953.db2.gz SMTHSASNBDUUJC-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001181301970 781691693 /nfs/dbraw/zinc/69/16/93/781691693.db2.gz NLBKZMZXTWLYDE-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001181301969 781691916 /nfs/dbraw/zinc/69/19/16/781691916.db2.gz NLBKZMZXTWLYDE-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181652799 781697792 /nfs/dbraw/zinc/69/77/92/781697792.db2.gz QBDNHMLYVUEFIA-HTQZYQBOSA-N 1 0 267.289 -1.469 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181652073 781698092 /nfs/dbraw/zinc/69/80/92/781698092.db2.gz IELHQQDLXXJRHG-NXEZZACHSA-N 1 0 263.301 -1.024 20 30 CAEDRO COCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181698129 781698658 /nfs/dbraw/zinc/69/86/58/781698658.db2.gz BOCNANKBBZDDIF-LLVKDONJSA-N 1 0 298.343 -1.520 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760159 781698964 /nfs/dbraw/zinc/69/89/64/781698964.db2.gz HWGOFOSBMIAEHK-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181769783 781699872 /nfs/dbraw/zinc/69/98/72/781699872.db2.gz QPZYJPQAXMFSTP-SECBINFHSA-N 1 0 268.317 -1.646 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779953 781700093 /nfs/dbraw/zinc/70/00/93/781700093.db2.gz OYIWVQUPMDPRJR-VHSXEESVSA-N 1 0 282.344 -1.257 20 30 CAEDRO C[NH+]1CCC(O)(C(=O)N2CCNC[C@@H]2C#N)CC1 ZINC001182028709 781705010 /nfs/dbraw/zinc/70/50/10/781705010.db2.gz ZAAIAXKLOQVZHY-JTQLQIEISA-N 1 0 252.318 -1.233 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(C)n1 ZINC001151084666 781708327 /nfs/dbraw/zinc/70/83/27/781708327.db2.gz QMLUXKXMKCTKFG-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001182145623 781712246 /nfs/dbraw/zinc/71/22/46/781712246.db2.gz SGDDQQJNRIZKSW-NXEZZACHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182164262 781713684 /nfs/dbraw/zinc/71/36/84/781713684.db2.gz RUGVEGURXIBIIF-VHSXEESVSA-N 1 0 297.359 -1.464 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182260220 781716150 /nfs/dbraw/zinc/71/61/50/781716150.db2.gz XYCHUZZLNXQVNO-RKDXNWHRSA-N 1 0 295.299 -2.075 20 30 CAEDRO Cn1nncc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182266644 781716636 /nfs/dbraw/zinc/71/66/36/781716636.db2.gz DKUJTNUXSFRBHL-SECBINFHSA-N 1 0 291.315 -1.741 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182260232 781716691 /nfs/dbraw/zinc/71/66/91/781716691.db2.gz YJWSBUDDAQTIKX-ZJUUUORDSA-N 1 0 296.327 -1.413 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001182352049 781717660 /nfs/dbraw/zinc/71/76/60/781717660.db2.gz PUPOTOOZHJPPMR-SNVBAGLBSA-N 1 0 275.312 -1.037 20 30 CAEDRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001182302574 781717891 /nfs/dbraw/zinc/71/78/91/781717891.db2.gz HYRUPPFXYQYZIU-SECBINFHSA-N 1 0 291.315 -1.741 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182303511 781718094 /nfs/dbraw/zinc/71/80/94/781718094.db2.gz ZTCTZTSCXMGCBL-SNVBAGLBSA-N 1 0 290.327 -1.631 20 30 CAEDRO CCc1ncncc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001151234466 781723119 /nfs/dbraw/zinc/72/31/19/781723119.db2.gz RIIOHYLOXYNVMN-UHFFFAOYSA-N 1 0 290.327 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)OCC#C)C1 ZINC001182504393 781724347 /nfs/dbraw/zinc/72/43/47/781724347.db2.gz BDNNTCVRDURHSS-QWHCGFSZSA-N 1 0 291.351 -1.035 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001182496397 781724481 /nfs/dbraw/zinc/72/44/81/781724481.db2.gz KBSGTEVKCNOUSH-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182504734 781724549 /nfs/dbraw/zinc/72/45/49/781724549.db2.gz IRUFYKNWQHQFLA-NXEZZACHSA-N 1 0 296.327 -1.590 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182505191 781724695 /nfs/dbraw/zinc/72/46/95/781724695.db2.gz RKOUBFZPJOSQOH-VXGBXAGGSA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182496025 781724872 /nfs/dbraw/zinc/72/48/72/781724872.db2.gz CJUZZLLTZJLUOH-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001182496294 781724885 /nfs/dbraw/zinc/72/48/85/781724885.db2.gz HHWVPVUXBPPBOW-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182608011 781726403 /nfs/dbraw/zinc/72/64/03/781726403.db2.gz WVYIPDKZYCIZBL-LLVKDONJSA-N 1 0 278.316 -1.487 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182878968 781730580 /nfs/dbraw/zinc/73/05/80/781730580.db2.gz DDBRTXBMNGEEBF-LLVKDONJSA-N 1 0 292.343 -1.229 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151301042 781731311 /nfs/dbraw/zinc/73/13/11/781731311.db2.gz QPAUWHNHGTZRHR-SECBINFHSA-N 1 0 261.347 -1.040 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182999431 781732678 /nfs/dbraw/zinc/73/26/78/781732678.db2.gz QOTHEAMSJMZTQA-SNVBAGLBSA-N 1 0 273.358 -1.299 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306244 781737147 /nfs/dbraw/zinc/73/71/47/781737147.db2.gz CQDXHFKUUZKABS-SECBINFHSA-N 1 0 261.347 -1.040 20 30 CAEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001183080419 781737963 /nfs/dbraw/zinc/73/79/63/781737963.db2.gz QWIHKUBQXASPIY-LPWJVIDDSA-N 1 0 284.356 -1.143 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055092 781738563 /nfs/dbraw/zinc/73/85/63/781738563.db2.gz OQUVLLSBBBRPLA-SNVBAGLBSA-N 1 0 297.359 -1.592 20 30 CAEDRO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183054879 781739037 /nfs/dbraw/zinc/73/90/37/781739037.db2.gz GWCZAERTCRODFQ-SECBINFHSA-N 1 0 296.331 -2.254 20 30 CAEDRO CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183421910 781742747 /nfs/dbraw/zinc/74/27/47/781742747.db2.gz JFGLUJVCPWWFSX-SECBINFHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183422124 781743147 /nfs/dbraw/zinc/74/31/47/781743147.db2.gz PZKFEJCSDXGDAZ-SNVBAGLBSA-N 1 0 294.355 -1.562 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183792686 781758612 /nfs/dbraw/zinc/75/86/12/781758612.db2.gz CONLSULUDGXFPY-LLVKDONJSA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183901763 781759402 /nfs/dbraw/zinc/75/94/02/781759402.db2.gz BASXBNJDWJGOGW-SECBINFHSA-N 1 0 276.300 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC001183992747 781761047 /nfs/dbraw/zinc/76/10/47/781761047.db2.gz PARBAGZDXLYFBD-LLVKDONJSA-N 1 0 289.339 -1.026 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184833155 781769765 /nfs/dbraw/zinc/76/97/65/781769765.db2.gz BHYNWKSAGJIWDW-MNOVXSKESA-N 1 0 292.339 -1.938 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184619114 781770671 /nfs/dbraw/zinc/77/06/71/781770671.db2.gz OFZQCYLIECDDRT-SNVBAGLBSA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184628029 781770721 /nfs/dbraw/zinc/77/07/21/781770721.db2.gz DEUQVDUUVVXKAM-SECBINFHSA-N 1 0 274.346 -2.136 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184859163 781771342 /nfs/dbraw/zinc/77/13/42/781771342.db2.gz WYFFHVHVBOCMJB-NXEZZACHSA-N 1 0 293.327 -2.047 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184859167 781771775 /nfs/dbraw/zinc/77/17/75/781771775.db2.gz WYFFHVHVBOCMJB-ZJUUUORDSA-N 1 0 293.327 -2.047 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184841810 781771996 /nfs/dbraw/zinc/77/19/96/781771996.db2.gz NEJPDCIDEQMMEK-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184868559 781772102 /nfs/dbraw/zinc/77/21/02/781772102.db2.gz XCQJCWBBYZEAGL-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001184924687 781772147 /nfs/dbraw/zinc/77/21/47/781772147.db2.gz NDOKJKFJRHVPTB-MRVPVSSYSA-N 1 0 292.303 -2.346 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040637 781772787 /nfs/dbraw/zinc/77/27/87/781772787.db2.gz PUVBZTNVQTVASF-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185040565 781773141 /nfs/dbraw/zinc/77/31/41/781773141.db2.gz PAXKSSLAGUIBDR-UWVGGRQHSA-N 1 0 295.343 -1.814 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185256171 781777279 /nfs/dbraw/zinc/77/72/79/781777279.db2.gz DHXRTDSZUHTKFZ-ZJUUUORDSA-N 1 0 295.343 -1.840 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC001185256548 781777395 /nfs/dbraw/zinc/77/73/95/781777395.db2.gz DUQRPESPHLARHH-QWRGUYRKSA-N 1 0 252.318 -1.017 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257654 781777421 /nfs/dbraw/zinc/77/74/21/781777421.db2.gz WMLDFZMTBFIVPL-RKDXNWHRSA-N 1 0 294.315 -2.502 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@@H]1C#N ZINC001185258708 781778164 /nfs/dbraw/zinc/77/81/64/781778164.db2.gz YOUCGVOTYGRAGO-WDEREUQCSA-N 1 0 252.318 -1.017 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCOC[C@H]1C#N ZINC001185258705 781778528 /nfs/dbraw/zinc/77/85/28/781778528.db2.gz YOUCGVOTYGRAGO-GHMZBOCLSA-N 1 0 252.318 -1.017 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185261265 781779528 /nfs/dbraw/zinc/77/95/28/781779528.db2.gz CNHQFPWKFUCFQO-DTWKUNHWSA-N 1 0 275.374 -1.180 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185270411 781780910 /nfs/dbraw/zinc/78/09/10/781780910.db2.gz DZJOOMRSTLFNKD-ZJUUUORDSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185266011 781781042 /nfs/dbraw/zinc/78/10/42/781781042.db2.gz XHJRLIXOZLEJLV-ZJUUUORDSA-N 1 0 250.302 -1.118 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185270410 781781703 /nfs/dbraw/zinc/78/17/03/781781703.db2.gz DZJOOMRSTLFNKD-NXEZZACHSA-N 1 0 250.302 -1.118 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185265646 781782218 /nfs/dbraw/zinc/78/22/18/781782218.db2.gz RROXTGIKCUBDAF-MNOVXSKESA-N 1 0 280.328 -1.492 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185321333 781783053 /nfs/dbraw/zinc/78/30/53/781783053.db2.gz HUCZHCIJABPQJI-RKDXNWHRSA-N 1 0 268.317 -1.647 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185321332 781783153 /nfs/dbraw/zinc/78/31/53/781783153.db2.gz HUCZHCIJABPQJI-DTWKUNHWSA-N 1 0 268.317 -1.647 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289137 781783840 /nfs/dbraw/zinc/78/38/40/781783840.db2.gz KFDQPYLIIAWKPI-SNVBAGLBSA-N 1 0 292.339 -1.808 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185321653 781784166 /nfs/dbraw/zinc/78/41/66/781784166.db2.gz JYAQMYOELVBQHL-DTWKUNHWSA-N 1 0 266.301 -2.200 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185305692 781784305 /nfs/dbraw/zinc/78/43/05/781784305.db2.gz ZGFVVIGVOACBRX-SNVBAGLBSA-N 1 0 273.358 -1.121 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185333883 781784836 /nfs/dbraw/zinc/78/48/36/781784836.db2.gz DLKNGYGBKKWELB-SNVBAGLBSA-N 1 0 295.343 -1.576 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185335065 781785520 /nfs/dbraw/zinc/78/55/20/781785520.db2.gz XXLWLXOEQTYWTA-SSDOTTSWSA-N 1 0 253.262 -2.698 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185334933 781786225 /nfs/dbraw/zinc/78/62/25/781786225.db2.gz VDDNHKSOVDELGA-MRVPVSSYSA-N 1 0 297.315 -2.326 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001185478133 781786836 /nfs/dbraw/zinc/78/68/36/781786836.db2.gz LJVVDJOYAQRQPK-MRVPVSSYSA-N 1 0 294.290 -1.007 20 30 CAEDRO COC[C@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185505453 781787735 /nfs/dbraw/zinc/78/77/35/781787735.db2.gz ZCVLABGITNFNTP-MNOVXSKESA-N 1 0 298.343 -1.522 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689484 781788982 /nfs/dbraw/zinc/78/89/82/781788982.db2.gz DGYYJHJTCOGHFC-BBBLOLIVSA-N 1 0 293.327 -2.062 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941365 781791694 /nfs/dbraw/zinc/79/16/94/781791694.db2.gz ZBGNJZCOEZLJFH-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185959471 781791938 /nfs/dbraw/zinc/79/19/38/781791938.db2.gz MDYHSGZIMAIPIR-SNVBAGLBSA-N 1 0 288.373 -1.794 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186163674 781801806 /nfs/dbraw/zinc/80/18/06/781801806.db2.gz AFXMFZIVHZKRGJ-LLVKDONJSA-N 1 0 294.355 -1.595 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001186371048 781806356 /nfs/dbraw/zinc/80/63/56/781806356.db2.gz ANWXQNLDLGRALT-VXGBXAGGSA-N 1 0 294.355 -1.420 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186451785 781806527 /nfs/dbraw/zinc/80/65/27/781806527.db2.gz JCQQIKPVRRYEFM-SECBINFHSA-N 1 0 278.316 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001186576482 781806935 /nfs/dbraw/zinc/80/69/35/781806935.db2.gz SCEGEMUQQRHSFE-LLVKDONJSA-N 1 0 289.339 -1.108 20 30 CAEDRO COCC#CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001187136346 781813983 /nfs/dbraw/zinc/81/39/83/781813983.db2.gz NEXUBOXQNQFPKJ-UHFFFAOYSA-N 1 0 259.266 -1.699 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001186968678 781815424 /nfs/dbraw/zinc/81/54/24/781815424.db2.gz RMAJTQPBHFLJFD-SNVBAGLBSA-N 1 0 292.343 -1.160 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656682 781825439 /nfs/dbraw/zinc/82/54/39/781825439.db2.gz VGUBJQRQLIOJIL-LLVKDONJSA-N 1 0 290.327 -1.782 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671407 781826526 /nfs/dbraw/zinc/82/65/26/781826526.db2.gz JKRZACNVMJNKFO-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698823 781828090 /nfs/dbraw/zinc/82/80/90/781828090.db2.gz OCSBUHSDURVXIT-SNVBAGLBSA-N 1 0 297.359 -1.463 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664384 781828146 /nfs/dbraw/zinc/82/81/46/781828146.db2.gz QBHHSSTUDIKHSN-SNVBAGLBSA-N 1 0 291.315 -1.892 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187699238 781828861 /nfs/dbraw/zinc/82/88/61/781828861.db2.gz XMDLTUSTTWGJLJ-SNVBAGLBSA-N 1 0 295.343 -2.015 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001187826374 781830159 /nfs/dbraw/zinc/83/01/59/781830159.db2.gz YUKCRGXXRRRDRT-LLVKDONJSA-N 1 0 289.339 -1.026 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835201 781831164 /nfs/dbraw/zinc/83/11/64/781831164.db2.gz REORXHBIYGIBNE-GFCCVEGCSA-N 1 0 293.371 -1.088 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887993 781832214 /nfs/dbraw/zinc/83/22/14/781832214.db2.gz WTHFGRAXRPZHFK-MNOVXSKESA-N 1 0 285.369 -1.108 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001187887924 781832548 /nfs/dbraw/zinc/83/25/48/781832548.db2.gz UTERIOGWSDOEAW-MNOVXSKESA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887992 781832781 /nfs/dbraw/zinc/83/27/81/781832781.db2.gz WTHFGRAXRPZHFK-GHMZBOCLSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187915269 781832915 /nfs/dbraw/zinc/83/29/15/781832915.db2.gz IYLBUSFWZGBJLC-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188100676 781834147 /nfs/dbraw/zinc/83/41/47/781834147.db2.gz WTPZVVSHRRZCGD-LLVKDONJSA-N 1 0 292.343 -1.229 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1nnn(C)n1 ZINC001273554646 781836277 /nfs/dbraw/zinc/83/62/77/781836277.db2.gz NRBMKERTAMGFNS-UHFFFAOYSA-N 1 0 294.319 -2.098 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 ZINC001189390166 781853678 /nfs/dbraw/zinc/85/36/78/781853678.db2.gz OCKJEMPFIPUKMU-RKDXNWHRSA-N 1 0 281.316 -1.126 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)C(N)=O ZINC001273582524 781860062 /nfs/dbraw/zinc/86/00/62/781860062.db2.gz XVBKDHILWPISIN-UHFFFAOYSA-N 1 0 299.331 -2.078 20 30 CAEDRO C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151772666 781860753 /nfs/dbraw/zinc/86/07/53/781860753.db2.gz WNQIBCPECRGUHQ-SNVBAGLBSA-N 1 0 299.375 -1.217 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001189768729 781862598 /nfs/dbraw/zinc/86/25/98/781862598.db2.gz ASEBRVNUXTWUEZ-NSHDSACASA-N 1 0 267.329 -1.349 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001189759716 781862923 /nfs/dbraw/zinc/86/29/23/781862923.db2.gz CEEBQWVBIMSFKY-QWRGUYRKSA-N 1 0 294.355 -1.468 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190639535 781880571 /nfs/dbraw/zinc/88/05/71/781880571.db2.gz UHAOHIZZZBRDCB-GHMZBOCLSA-N 1 0 258.318 -1.003 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190970196 781895035 /nfs/dbraw/zinc/89/50/35/781895035.db2.gz ZHONIKQSZDXHDL-NXEZZACHSA-N 1 0 270.333 -1.218 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977681 781895400 /nfs/dbraw/zinc/89/54/00/781895400.db2.gz LWAMMUZDELTAKZ-NXEZZACHSA-N 1 0 286.332 -1.981 20 30 CAEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001190989349 781895502 /nfs/dbraw/zinc/89/55/02/781895502.db2.gz OJZKZRDQEOWAQU-GFCCVEGCSA-N 1 0 296.371 -1.043 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953077 781896893 /nfs/dbraw/zinc/89/68/93/781896893.db2.gz YSYBBVCZUSKIDO-RKDXNWHRSA-N 1 0 256.306 -1.608 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191315227 781904090 /nfs/dbraw/zinc/90/40/90/781904090.db2.gz YWASHTCNNVZOGC-VXGBXAGGSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191320437 781905422 /nfs/dbraw/zinc/90/54/22/781905422.db2.gz AJXAHSPDISBQMB-RKDXNWHRSA-N 1 0 255.274 -1.863 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191315220 781905643 /nfs/dbraw/zinc/90/56/43/781905643.db2.gz YTIDKAVOGZWXHE-GHMZBOCLSA-N 1 0 267.329 -1.140 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191560317 781914088 /nfs/dbraw/zinc/91/40/88/781914088.db2.gz CLUBPRRVYNRIHZ-JTQLQIEISA-N 1 0 288.373 -1.794 20 30 CAEDRO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191695967 781916468 /nfs/dbraw/zinc/91/64/68/781916468.db2.gz LZQXJUGLTNBXKT-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191695635 781916533 /nfs/dbraw/zinc/91/65/33/781916533.db2.gz LKFGXQQZXHARGZ-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC#CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191695636 781916963 /nfs/dbraw/zinc/91/69/63/781916963.db2.gz LKFGXQQZXHARGZ-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001421635221 890522797 /nfs/dbraw/zinc/52/27/97/890522797.db2.gz LHJYKOKNMYCMRX-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C=CCOC[C@H](O)CN[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245980948 884079429 /nfs/dbraw/zinc/07/94/29/884079429.db2.gz DRWUZXCRUSBSGL-JFGNBEQYSA-N 1 0 255.318 -1.282 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]n1 ZINC001268319818 884091804 /nfs/dbraw/zinc/09/18/04/884091804.db2.gz AQXVQLGPIFDWAL-LLVKDONJSA-N 1 0 265.317 -1.173 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC1CC1 ZINC001278723338 884107343 /nfs/dbraw/zinc/10/73/43/884107343.db2.gz WAZRMBPBWLKAMT-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)NC(C)=O ZINC001268319985 884093674 /nfs/dbraw/zinc/09/36/74/884093674.db2.gz DDWRKJFNTNOMSF-NWDGAFQWSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001308060268 884129261 /nfs/dbraw/zinc/12/92/61/884129261.db2.gz SOOKNUUPUDSTFH-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO N#CCC[C@H](C#N)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001307927742 884129826 /nfs/dbraw/zinc/12/98/26/884129826.db2.gz DUOSKGPPUFJNDB-BBBLOLIVSA-N 1 0 263.301 -1.051 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001317232130 884178341 /nfs/dbraw/zinc/17/83/41/884178341.db2.gz IPWDJUVDKJNGED-NWDGAFQWSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CNC(=O)OC ZINC001317227809 884178481 /nfs/dbraw/zinc/17/84/81/884178481.db2.gz UBXOCZURGLSXLM-NXEZZACHSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001317242192 884179622 /nfs/dbraw/zinc/17/96/22/884179622.db2.gz QABDNVWLCALHAR-SUNKGSAMSA-N 1 0 279.340 -1.133 20 30 CAEDRO C#CCC[NH2+][C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001317260431 884183150 /nfs/dbraw/zinc/18/31/50/884183150.db2.gz YWCJWZHNDTWRKA-BDAKNGLRSA-N 1 0 266.301 -1.298 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001317445279 884196568 /nfs/dbraw/zinc/19/65/68/884196568.db2.gz ZKHAAYWERZPDDQ-SNVBAGLBSA-N 1 0 269.301 -1.207 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CNC(=O)C1CC1 ZINC001317569572 884216535 /nfs/dbraw/zinc/21/65/35/884216535.db2.gz LOIZAYGFUHLVHZ-UHFFFAOYSA-N 1 0 295.343 -1.800 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001317617702 884227775 /nfs/dbraw/zinc/22/77/75/884227775.db2.gz AGOKMFRURWKCKI-LLVKDONJSA-N 1 0 267.329 -1.180 20 30 CAEDRO CC[C@@H](CNC(=O)Cn1cnnn1)[NH2+]CC#CCOC ZINC001318495966 884280132 /nfs/dbraw/zinc/28/01/32/884280132.db2.gz HUYJJTWEDHNECQ-NSHDSACASA-N 1 0 280.332 -1.193 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)CC(N)=O ZINC001319508734 884335313 /nfs/dbraw/zinc/33/53/13/884335313.db2.gz CTOXORQKNAQBRX-GHMZBOCLSA-N 1 0 296.371 -1.316 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](COC)C(N)=O)CC1 ZINC001319638208 884346818 /nfs/dbraw/zinc/34/68/18/884346818.db2.gz RLBFMRQCIFOYDU-NSHDSACASA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)CNC(C)=O)C(C)C ZINC001319894500 884358860 /nfs/dbraw/zinc/35/88/60/884358860.db2.gz FMQVAJHOBJPORU-LBPRGKRZSA-N 1 0 296.371 -1.398 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001320021081 884366874 /nfs/dbraw/zinc/36/68/74/884366874.db2.gz MMLVALGPHIUGPN-UHFFFAOYSA-N 1 0 265.317 -1.395 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C(F)F ZINC001320189388 884379687 /nfs/dbraw/zinc/37/96/87/884379687.db2.gz PMNMXTPIFPYRAC-QMMMGPOBSA-N 1 0 250.245 -1.032 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001320199013 884380692 /nfs/dbraw/zinc/38/06/92/884380692.db2.gz HMNNEVXTTBRACN-NEPJUHHUSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001320199016 884381705 /nfs/dbraw/zinc/38/17/05/884381705.db2.gz HMNNEVXTTBRACN-VXGBXAGGSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001320199014 884381730 /nfs/dbraw/zinc/38/17/30/884381730.db2.gz HMNNEVXTTBRACN-NWDGAFQWSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001320186628 884381894 /nfs/dbraw/zinc/38/18/94/884381894.db2.gz LUPCPBXHQLWMIB-MWLCHTKSSA-N 1 0 255.318 -1.399 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001320186630 884382216 /nfs/dbraw/zinc/38/22/16/884382216.db2.gz LUPCPBXHQLWMIB-ONGXEEELSA-N 1 0 255.318 -1.399 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C(F)F ZINC001320189380 884382278 /nfs/dbraw/zinc/38/22/78/884382278.db2.gz PMNMXTPIFPYRAC-MRVPVSSYSA-N 1 0 250.245 -1.032 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cncnc1 ZINC001320213864 884389842 /nfs/dbraw/zinc/38/98/42/884389842.db2.gz KKENNBQFXFWGPN-LBPRGKRZSA-N 1 0 278.312 -1.193 20 30 CAEDRO C/C=C(\C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320217053 884389940 /nfs/dbraw/zinc/38/99/40/884389940.db2.gz OQJNVXBNXYGJTM-RZCNENHTSA-N 1 0 268.317 -1.341 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001320213631 884389980 /nfs/dbraw/zinc/38/99/80/884389980.db2.gz HRQADYYWFSGZQQ-IUCAKERBSA-N 1 0 258.322 -1.314 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001320212559 884391828 /nfs/dbraw/zinc/39/18/28/884391828.db2.gz AWQVWWCNGBQVTG-VIFPVBQESA-N 1 0 265.317 -1.294 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001320215973 884392014 /nfs/dbraw/zinc/39/20/14/884392014.db2.gz ICZMQPPAHAKSAE-WDEREUQCSA-N 1 0 265.313 -1.645 20 30 CAEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001320204181 884387347 /nfs/dbraw/zinc/38/73/47/884387347.db2.gz OMKLFGPLLAKGQT-LBPRGKRZSA-N 1 0 299.371 -1.122 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001320270065 884404508 /nfs/dbraw/zinc/40/45/08/884404508.db2.gz HHCZQSDXHREKOF-SECBINFHSA-N 1 0 296.327 -2.932 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c1 ZINC001320271145 884406161 /nfs/dbraw/zinc/40/61/61/884406161.db2.gz BOCRQQFADCGAND-LLVKDONJSA-N 1 0 276.296 -1.772 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)nn1 ZINC001320281530 884408043 /nfs/dbraw/zinc/40/80/43/884408043.db2.gz CEMRRHBTSXHKMK-QMMMGPOBSA-N 1 0 282.304 -2.370 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001320286018 884408570 /nfs/dbraw/zinc/40/85/70/884408570.db2.gz HSQAPGSIKVOCIT-SNVBAGLBSA-N 1 0 281.316 -1.855 20 30 CAEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001320570107 884432953 /nfs/dbraw/zinc/43/29/53/884432953.db2.gz MYFOOAIHFMTJSJ-PWSUYJOCSA-N 1 0 296.371 -1.126 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1csnn1 ZINC001321599599 884503157 /nfs/dbraw/zinc/50/31/57/884503157.db2.gz FQRWXDNGFDYZSI-SSDOTTSWSA-N 1 0 282.329 -1.114 20 30 CAEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CNC(=O)N1 ZINC001321218510 884477494 /nfs/dbraw/zinc/47/74/94/884477494.db2.gz AGGLTIUGYQWPBB-KXMPLOMGSA-N 1 0 280.328 -1.420 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001321789756 884517226 /nfs/dbraw/zinc/51/72/26/884517226.db2.gz HWPSZCNBEATWGU-JTQLQIEISA-N 1 0 284.360 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001321843674 884523147 /nfs/dbraw/zinc/52/31/47/884523147.db2.gz ZHNHTQSPDFYYTO-VIFPVBQESA-N 1 0 278.316 -1.728 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001322298585 884545792 /nfs/dbraw/zinc/54/57/92/884545792.db2.gz MOYWLCZIAYOZJW-SECBINFHSA-N 1 0 261.347 -1.395 20 30 CAEDRO CN(CC(=O)NCC#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001324112754 884650290 /nfs/dbraw/zinc/65/02/90/884650290.db2.gz TVGZMNKBMIHGDS-SECBINFHSA-N 1 0 274.346 -1.408 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001325081461 884705901 /nfs/dbraw/zinc/70/59/01/884705901.db2.gz IKNXSXBZYVGJPO-GWCFXTLKSA-N 1 0 281.312 -1.329 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC2C[NH2+]C2)nn1 ZINC001325862827 884747631 /nfs/dbraw/zinc/74/76/31/884747631.db2.gz KDULQTLHIWIPKM-UHFFFAOYSA-N 1 0 264.289 -1.832 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C#CC1CC1 ZINC001326020997 884760971 /nfs/dbraw/zinc/76/09/71/884760971.db2.gz GGNZMMIQKAGJRV-NSHDSACASA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001326104846 884766355 /nfs/dbraw/zinc/76/63/55/884766355.db2.gz WVZGZCVSBDLJPS-UHFFFAOYSA-N 1 0 250.302 -1.004 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])nn1 ZINC001326143082 884771341 /nfs/dbraw/zinc/77/13/41/884771341.db2.gz RHWKGRHSJCHHJW-VIFPVBQESA-N 1 0 280.332 -1.114 20 30 CAEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)N1CCN(C)CC1 ZINC001326306500 884783757 /nfs/dbraw/zinc/78/37/57/884783757.db2.gz PZKFAEMREZLMSK-WOPDTQHZSA-N 1 0 265.361 -1.150 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001326584155 884811271 /nfs/dbraw/zinc/81/12/71/884811271.db2.gz JWBCFQVFAPJAJK-JTQLQIEISA-N 1 0 263.363 -1.173 20 30 CAEDRO CN(CCC#N)C(=O)CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC001326727913 884825173 /nfs/dbraw/zinc/82/51/73/884825173.db2.gz GXCCCHFYHXYMES-GFCCVEGCSA-N 1 0 268.317 -1.017 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001327868929 884936514 /nfs/dbraw/zinc/93/65/14/884936514.db2.gz SBTYDZLPFALGPJ-ZJUUUORDSA-N 1 0 252.318 -1.015 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCc1cn(C)nn1 ZINC001329225562 885077167 /nfs/dbraw/zinc/07/71/67/885077167.db2.gz LISZCPPORIYXIY-UHFFFAOYSA-N 1 0 281.364 -1.188 20 30 CAEDRO N#CC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001329469167 885106953 /nfs/dbraw/zinc/10/69/53/885106953.db2.gz KUBDXGIVVUBCEJ-LLVKDONJSA-N 1 0 280.328 -1.147 20 30 CAEDRO C[NH+]=C(NCCOCCCO)NCCN1CCOCC1 ZINC001330027011 885166584 /nfs/dbraw/zinc/16/65/84/885166584.db2.gz DHAGSFYEONXUMZ-UHFFFAOYSA-N 1 0 288.392 -1.117 20 30 CAEDRO CC(=O)NCCOCCN(C)CC(=O)NCC#N ZINC001331087783 885247986 /nfs/dbraw/zinc/24/79/86/885247986.db2.gz HTPISYDXHSZONM-UHFFFAOYSA-N 1 0 256.306 -1.289 20 30 CAEDRO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001331546575 885287127 /nfs/dbraw/zinc/28/71/27/885287127.db2.gz YBFULDZNHOSJED-SSDOTTSWSA-N 1 0 255.278 -2.452 20 30 CAEDRO CC(C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001331663392 885305242 /nfs/dbraw/zinc/30/52/42/885305242.db2.gz FVGUDWBHAVFDFP-JTQLQIEISA-N 1 0 270.333 -1.261 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001331683580 885309660 /nfs/dbraw/zinc/30/96/60/885309660.db2.gz LZAZAUYRKFDWKF-MNOVXSKESA-N 1 0 256.302 -1.508 20 30 CAEDRO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001331684026 885310911 /nfs/dbraw/zinc/31/09/11/885310911.db2.gz NJXZRQWGXKKXLL-LLVKDONJSA-N 1 0 285.344 -1.771 20 30 CAEDRO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001331684027 885311293 /nfs/dbraw/zinc/31/12/93/885311293.db2.gz NJXZRQWGXKKXLL-NSHDSACASA-N 1 0 285.344 -1.771 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CN1CCCS1(=O)=O ZINC001331727214 885326510 /nfs/dbraw/zinc/32/65/10/885326510.db2.gz WOZFCGZCNIHZLY-SNVBAGLBSA-N 1 0 291.373 -1.725 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001331775812 885343861 /nfs/dbraw/zinc/34/38/61/885343861.db2.gz UYYQCBAKWMFGNU-RKDXNWHRSA-N 1 0 256.306 -1.689 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC)[C@@H]1C ZINC001331841753 885354608 /nfs/dbraw/zinc/35/46/08/885354608.db2.gz NIWFEYRTUHQCER-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccnc1C(N)=O ZINC001331835316 885356369 /nfs/dbraw/zinc/35/63/69/885356369.db2.gz LOWPOOWMYWTYOC-SECBINFHSA-N 1 0 276.296 -1.506 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001331837618 885357028 /nfs/dbraw/zinc/35/70/28/885357028.db2.gz ZAYOIYHZTRGDRS-WDEREUQCSA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001331843172 885357534 /nfs/dbraw/zinc/35/75/34/885357534.db2.gz UGGKZPYOSXVXAX-SECBINFHSA-N 1 0 266.301 -1.963 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCCC(N)=O ZINC001331840791 885358247 /nfs/dbraw/zinc/35/82/47/885358247.db2.gz JVDYXXKSAMADFF-SNVBAGLBSA-N 1 0 255.318 -1.268 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001331837615 885358279 /nfs/dbraw/zinc/35/82/79/885358279.db2.gz ZAYOIYHZTRGDRS-GHMZBOCLSA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001332476898 885413451 /nfs/dbraw/zinc/41/34/51/885413451.db2.gz USPAYRCKEZDFMF-NSHDSACASA-N 1 0 265.317 -1.290 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001332547330 885418737 /nfs/dbraw/zinc/41/87/37/885418737.db2.gz NQEDTAOTFUWDSU-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001332547329 885418761 /nfs/dbraw/zinc/41/87/61/885418761.db2.gz NQEDTAOTFUWDSU-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001332547332 885418766 /nfs/dbraw/zinc/41/87/66/885418766.db2.gz NQEDTAOTFUWDSU-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001332664876 885428692 /nfs/dbraw/zinc/42/86/92/885428692.db2.gz XSCUXEHBIRKDSE-MNOVXSKESA-N 1 0 284.360 -1.005 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)Cn1cnnn1 ZINC001333190431 885463392 /nfs/dbraw/zinc/46/33/92/885463392.db2.gz DVPOLXBTXIVQEF-UHFFFAOYSA-N 1 0 266.305 -1.629 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1[NH3+] ZINC001334386845 885539733 /nfs/dbraw/zinc/53/97/33/885539733.db2.gz MSUZOJMETNCITF-OPRDCNLKSA-N 1 0 266.301 -1.457 20 30 CAEDRO O=C(CN1CCC(CO)CC1)N[C@@H]1CCN(O)C1=O ZINC001335963934 885642502 /nfs/dbraw/zinc/64/25/02/885642502.db2.gz ZTFVLVKQUOMFNC-SNVBAGLBSA-N 1 0 271.317 -1.203 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCO1 ZINC001336118197 885648730 /nfs/dbraw/zinc/64/87/30/885648730.db2.gz FZIMPAWLUKBUNB-CYBMUJFWSA-N 1 0 280.328 -1.051 20 30 CAEDRO N#CCCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001336571329 885666000 /nfs/dbraw/zinc/66/60/00/885666000.db2.gz CIXKQLHILUDJAK-UHFFFAOYSA-N 1 0 281.360 -1.182 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1CC2(C1)NC(=O)NC2=O ZINC001336601677 885668739 /nfs/dbraw/zinc/66/87/39/885668739.db2.gz ZURHSXWBXYATEM-UHFFFAOYSA-N 1 0 266.301 -1.085 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001339896604 885783836 /nfs/dbraw/zinc/78/38/36/885783836.db2.gz WXMGLGNKIJMKQA-UHFFFAOYSA-N 1 0 289.357 -2.013 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC001340267628 885798037 /nfs/dbraw/zinc/79/80/37/885798037.db2.gz UTEGXYYCFGVVDI-GFCCVEGCSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CC[NH2+]CC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001341440948 885840683 /nfs/dbraw/zinc/84/06/83/885840683.db2.gz BETGWDAVQTVFEO-LBPRGKRZSA-N 1 0 269.345 -1.639 20 30 CAEDRO CS(=O)(=O)C1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001341649394 885849955 /nfs/dbraw/zinc/84/99/55/885849955.db2.gz KEZBCECPNODOCZ-SFYZADRCSA-N 1 0 257.315 -1.209 20 30 CAEDRO CNS(=O)(=O)C1CCN(CC(=O)NCC#N)CC1 ZINC001343877896 885926290 /nfs/dbraw/zinc/92/62/90/885926290.db2.gz LLEYKXPDDOOTJK-UHFFFAOYSA-N 1 0 274.346 -1.360 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC001344128772 885937155 /nfs/dbraw/zinc/93/71/55/885937155.db2.gz VZINRKNXLGEFHY-JTQLQIEISA-N 1 0 268.317 -1.634 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001345831575 885972203 /nfs/dbraw/zinc/97/22/03/885972203.db2.gz XDGYHQRLEGKKIQ-BQBZGAKWSA-N 1 0 251.246 -2.234 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001346005450 885977565 /nfs/dbraw/zinc/97/75/65/885977565.db2.gz DTPUJHGXDYADTB-WOPDTQHZSA-N 1 0 279.340 -1.181 20 30 CAEDRO C=C(CO)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001348396274 886079063 /nfs/dbraw/zinc/07/90/63/886079063.db2.gz QSTPLIMJOIKAHN-JTQLQIEISA-N 1 0 255.318 -1.009 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001349169580 886115476 /nfs/dbraw/zinc/11/54/76/886115476.db2.gz ODYADWWBIGKLII-HLTSFMKQSA-N 1 0 257.315 -1.351 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001350335079 886166252 /nfs/dbraw/zinc/16/62/52/886166252.db2.gz YEIBWYWLLKMQSO-UHFFFAOYSA-N 1 0 265.313 -1.298 20 30 CAEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(O)(CC#N)C1 ZINC001350728610 886182717 /nfs/dbraw/zinc/18/27/17/886182717.db2.gz ODCGEQXVEXOAII-GXSJLCMTSA-N 1 0 253.302 -1.072 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001350966728 886193807 /nfs/dbraw/zinc/19/38/07/886193807.db2.gz ROQCNDDUDIHYOR-OUAUKWLOSA-N 1 0 265.313 -1.347 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCn1cc(C(=O)OC)nn1 ZINC001353858552 886290277 /nfs/dbraw/zinc/29/02/77/886290277.db2.gz KEKUVFQGRIJSPM-UHFFFAOYSA-N 1 0 265.273 -1.596 20 30 CAEDRO C#CC[NH2+]CC(=O)N(CCN1CCOCC1)CC(=O)OC ZINC001357503202 886409122 /nfs/dbraw/zinc/40/91/22/886409122.db2.gz LMUYEELWRWHGAN-UHFFFAOYSA-N 1 0 297.355 -1.457 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001369451848 887568181 /nfs/dbraw/zinc/56/81/81/887568181.db2.gz QSNNSWWHQQLZQW-VHSXEESVSA-N 1 0 270.333 -1.309 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001394732450 888888761 /nfs/dbraw/zinc/88/87/61/888888761.db2.gz SNMAIEKMKSXDMZ-BDAKNGLRSA-N 1 0 299.331 -1.989 20 30 CAEDRO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001406208315 889485331 /nfs/dbraw/zinc/48/53/31/889485331.db2.gz IFAQDOSZWRTHHK-ZJUUUORDSA-N 1 0 270.333 -1.263 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1C ZINC000987195899 884007599 /nfs/dbraw/zinc/00/75/99/884007599.db2.gz KFGMAIUITOUPCG-NXEZZACHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698656 884029396 /nfs/dbraw/zinc/02/93/96/884029396.db2.gz RCXGMPNECCXWRP-AXFHLTTASA-N 1 0 267.329 -1.140 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699247 884030531 /nfs/dbraw/zinc/03/05/31/884030531.db2.gz QCFUJSNPSVZSKP-MXWKQRLJSA-N 1 0 267.329 -1.140 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439496 884026278 /nfs/dbraw/zinc/02/62/78/884026278.db2.gz FDYCQGXHXDJQCD-BBBLOLIVSA-N 1 0 267.285 -1.721 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698657 884030573 /nfs/dbraw/zinc/03/05/73/884030573.db2.gz RCXGMPNECCXWRP-MXWKQRLJSA-N 1 0 267.329 -1.140 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419194 884027821 /nfs/dbraw/zinc/02/78/21/884027821.db2.gz UOWQUDUHVYGWHW-ZJUUUORDSA-N 1 0 281.316 -1.279 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698699 884029596 /nfs/dbraw/zinc/02/95/96/884029596.db2.gz SPPUZERCLUZGCB-AXFHLTTASA-N 1 0 265.313 -1.693 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439782 884031109 /nfs/dbraw/zinc/03/11/09/884031109.db2.gz OESLHVDSCPELQC-UTLUCORTSA-N 1 0 269.301 -1.168 20 30 CAEDRO C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 ZINC001105197208 884038647 /nfs/dbraw/zinc/03/86/47/884038647.db2.gz KUCAVBLNFZDWAU-UHFFFAOYSA-N 1 0 290.327 -1.350 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114360292 884042438 /nfs/dbraw/zinc/04/24/38/884042438.db2.gz AIMIIHZZFYLPGS-PJXYFTJBSA-N 1 0 299.396 -1.005 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114363390 884042606 /nfs/dbraw/zinc/04/26/06/884042606.db2.gz CLHFVAYJWAPJAO-IAZYJMLFSA-N 1 0 285.369 -1.395 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114745929 884045945 /nfs/dbraw/zinc/04/59/45/884045945.db2.gz ISDJKSATMRAOAG-WHOHXGKFSA-N 1 0 294.355 -1.083 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752339 884046492 /nfs/dbraw/zinc/04/64/92/884046492.db2.gz BJGHBALIQFJLLC-MYJAWHEDSA-N 1 0 251.286 -1.832 20 30 CAEDRO N#CCNC(=O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001117511468 884049766 /nfs/dbraw/zinc/04/97/66/884049766.db2.gz YEXUGUPLKREHFJ-SNVBAGLBSA-N 1 0 265.317 -1.868 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126658032 884055127 /nfs/dbraw/zinc/05/51/27/884055127.db2.gz MEXXFODLOZBULN-UHFFFAOYSA-N 1 0 281.316 -1.071 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126658414 884055722 /nfs/dbraw/zinc/05/57/22/884055722.db2.gz PWOPVNJWJGFMDH-SECBINFHSA-N 1 0 280.332 -1.175 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125918902 884055844 /nfs/dbraw/zinc/05/58/44/884055844.db2.gz RQKDACUCCUPPKZ-JTQLQIEISA-N 1 0 278.316 -1.706 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126659059 884056901 /nfs/dbraw/zinc/05/69/01/884056901.db2.gz ZIXJJXTWBXXKGG-SECBINFHSA-N 1 0 278.316 -1.728 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653130 884058385 /nfs/dbraw/zinc/05/83/85/884058385.db2.gz NBRHNHCSMMKYEA-UHFFFAOYSA-N 1 0 294.315 -2.267 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127652759 884058994 /nfs/dbraw/zinc/05/89/94/884058994.db2.gz AKYPZRZFAPJMHS-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO C#CC[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127648056 884059190 /nfs/dbraw/zinc/05/91/90/884059190.db2.gz FIKRZXMTACDBPE-UHFFFAOYSA-N 1 0 250.262 -2.284 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127648079 884059229 /nfs/dbraw/zinc/05/92/29/884059229.db2.gz FPWDWENLOGTNRQ-UHFFFAOYSA-N 1 0 286.723 -1.165 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001266800080 884087712 /nfs/dbraw/zinc/08/77/12/884087712.db2.gz MHYXKUNLQPKKLA-MNOVXSKESA-N 1 0 296.371 -1.152 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001266800081 884088705 /nfs/dbraw/zinc/08/87/05/884088705.db2.gz MHYXKUNLQPKKLA-QWRGUYRKSA-N 1 0 296.371 -1.152 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001266778408 884089157 /nfs/dbraw/zinc/08/91/57/884089157.db2.gz MVOCZZMURJFYOK-LLVKDONJSA-N 1 0 296.371 -1.008 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268300454 884090615 /nfs/dbraw/zinc/09/06/15/884090615.db2.gz UOJFMPHJILAEJW-RKDXNWHRSA-N 1 0 277.346 -1.743 20 30 CAEDRO CC[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001268301918 884090546 /nfs/dbraw/zinc/09/05/46/884090546.db2.gz SRAZWYMVOOWINB-ZJUUUORDSA-N 1 0 270.333 -1.261 20 30 CAEDRO CC[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268301915 884091044 /nfs/dbraw/zinc/09/10/44/884091044.db2.gz SRAZWYMVOOWINB-NXEZZACHSA-N 1 0 270.333 -1.261 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268300453 884092191 /nfs/dbraw/zinc/09/21/91/884092191.db2.gz UOJFMPHJILAEJW-IUCAKERBSA-N 1 0 277.346 -1.743 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](CC)NC(C)=O ZINC001268319986 884093818 /nfs/dbraw/zinc/09/38/18/884093818.db2.gz DDWRKJFNTNOMSF-RYUDHWBXSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001268324429 884094338 /nfs/dbraw/zinc/09/43/38/884094338.db2.gz SIAZCRWJZWNGLE-VIFPVBQESA-N 1 0 266.301 -1.171 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001269442211 884094500 /nfs/dbraw/zinc/09/45/00/884094500.db2.gz BFOXERQZWLSWCL-SECBINFHSA-N 1 0 290.327 -1.205 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC(N)=O ZINC001270023446 884095962 /nfs/dbraw/zinc/09/59/62/884095962.db2.gz ZQWZFAAHADJHJE-JTQLQIEISA-N 1 0 282.344 -1.255 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)C1(C(=O)NC)CC1 ZINC001272277463 884098025 /nfs/dbraw/zinc/09/80/25/884098025.db2.gz JPTJIQAQJZMWGM-UHFFFAOYSA-N 1 0 281.356 -1.054 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001274096538 884102197 /nfs/dbraw/zinc/10/21/97/884102197.db2.gz GLUINTOBHQZHAL-NWALNABHSA-N 1 0 264.285 -1.520 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001278099563 884104152 /nfs/dbraw/zinc/10/41/52/884104152.db2.gz MKQZMMFKIPCHAU-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001278094242 884104366 /nfs/dbraw/zinc/10/43/66/884104366.db2.gz USNOJSSTCVYQBY-VXGBXAGGSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278099002 884104804 /nfs/dbraw/zinc/10/48/04/884104804.db2.gz BKFKCIJGMFJSNL-ZJUUUORDSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001278099555 884105054 /nfs/dbraw/zinc/10/50/54/884105054.db2.gz MKQZMMFKIPCHAU-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278099000 884105879 /nfs/dbraw/zinc/10/58/79/884105879.db2.gz BKFKCIJGMFJSNL-UWVGGRQHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)CN1CCOCC1=O ZINC001278093482 884106019 /nfs/dbraw/zinc/10/60/19/884106019.db2.gz LKDQOQIDPMQHRI-NSHDSACASA-N 1 0 285.344 -1.512 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCn1ccccc1=O ZINC001278093107 884106032 /nfs/dbraw/zinc/10/60/32/884106032.db2.gz HGKJDOLUEQJBDG-LBPRGKRZSA-N 1 0 277.324 -1.062 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001278856008 884107231 /nfs/dbraw/zinc/10/72/31/884107231.db2.gz ZZWAESWYGVHKSB-ZDUSSCGKSA-N 1 0 283.372 -1.297 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CCNC(N)=O)CCOCC1 ZINC001278728388 884107749 /nfs/dbraw/zinc/10/77/49/884107749.db2.gz KXSPVXHTUIVALB-UHFFFAOYSA-N 1 0 282.344 -1.067 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001278742845 884107830 /nfs/dbraw/zinc/10/78/30/884107830.db2.gz HFSSRJJYBWKDHU-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001278721295 884108493 /nfs/dbraw/zinc/10/84/93/884108493.db2.gz NGGAPNDDTDWCBC-LLVKDONJSA-N 1 0 255.318 -1.445 20 30 CAEDRO N#CCC[C@@H](C#N)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001307927752 884127862 /nfs/dbraw/zinc/12/78/62/884127862.db2.gz DUOSKGPPUFJNDB-LPEHRKFASA-N 1 0 263.301 -1.051 20 30 CAEDRO C[C@]12C[N@H+](CC(=O)NCC#N)C[C@@]1(C)C(=O)NC2=O ZINC001307994631 884128053 /nfs/dbraw/zinc/12/80/53/884128053.db2.gz SAYRQBGASKNQPV-TXEJJXNPSA-N 1 0 264.285 -1.389 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001312790091 884143185 /nfs/dbraw/zinc/14/31/85/884143185.db2.gz VCZDKSLYIOAZGL-RYUDHWBXSA-N 1 0 269.345 -1.064 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001312790089 884143529 /nfs/dbraw/zinc/14/35/29/884143529.db2.gz VCZDKSLYIOAZGL-NWDGAFQWSA-N 1 0 269.345 -1.064 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001316621112 884149111 /nfs/dbraw/zinc/14/91/11/884149111.db2.gz LVLRAFFZSNGGEW-GRYCIOLGSA-N 1 0 294.355 -1.198 20 30 CAEDRO CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC(N)=O)n1 ZINC001316714240 884152880 /nfs/dbraw/zinc/15/28/80/884152880.db2.gz ABCIJLRCKBKWBC-UHFFFAOYSA-N 1 0 291.311 -1.213 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001316775392 884153240 /nfs/dbraw/zinc/15/32/40/884153240.db2.gz RDTLETGXVHGWKA-JTQLQIEISA-N 1 0 295.343 -1.528 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001316822682 884154205 /nfs/dbraw/zinc/15/42/05/884154205.db2.gz OWIHNUZWJOWQSK-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001316808740 884154656 /nfs/dbraw/zinc/15/46/56/884154656.db2.gz BAIMPCHIZUTWDK-UHFFFAOYSA-N 1 0 292.343 -1.408 20 30 CAEDRO C#CC[N@H+](CC)CCCNC(=O)CN1CCNC(=O)C1 ZINC001316898550 884156915 /nfs/dbraw/zinc/15/69/15/884156915.db2.gz XNOOPQAHDYFRPI-UHFFFAOYSA-N 1 0 280.372 -1.120 20 30 CAEDRO COCC#CC[N@H+](C)CCCNC(=O)c1nnn(C)n1 ZINC001316842028 884160095 /nfs/dbraw/zinc/16/00/95/884160095.db2.gz TUNYVEPHYHKOBB-UHFFFAOYSA-N 1 0 280.332 -1.088 20 30 CAEDRO CC[N@H+](CCCNC(=O)c1nnc[nH]1)CC(=O)NCC#N ZINC001316902340 884161157 /nfs/dbraw/zinc/16/11/57/884161157.db2.gz JTVYZWCYQYYNQS-UHFFFAOYSA-N 1 0 293.331 -1.114 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001316978921 884163636 /nfs/dbraw/zinc/16/36/36/884163636.db2.gz GXVBPDYLOQNDER-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001316978926 884165038 /nfs/dbraw/zinc/16/50/38/884165038.db2.gz GXVBPDYLOQNDER-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001316979779 884165640 /nfs/dbraw/zinc/16/56/40/884165640.db2.gz CPGWHKHVOUCSAV-LLVKDONJSA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001316989017 884167086 /nfs/dbraw/zinc/16/70/86/884167086.db2.gz OQHVBUBILDAVJB-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001317038964 884168094 /nfs/dbraw/zinc/16/80/94/884168094.db2.gz NCASKWSDGRRVNX-LLVKDONJSA-N 1 0 296.371 -1.056 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001317011607 884168338 /nfs/dbraw/zinc/16/83/38/884168338.db2.gz CSNGLDLBCIJIDG-SNVBAGLBSA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C1 ZINC001317111213 884171184 /nfs/dbraw/zinc/17/11/84/884171184.db2.gz VZCORIPPMXVALH-AOOOYVTPSA-N 1 0 290.327 -1.585 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001317077429 884171249 /nfs/dbraw/zinc/17/12/49/884171249.db2.gz MSSYWCHHZYTGKP-GMTAPVOTSA-N 1 0 281.312 -1.019 20 30 CAEDRO C#CCOCCC(=O)N[C@H]1C[C@@H](NCc2nnnn2C)C1 ZINC001317110895 884171826 /nfs/dbraw/zinc/17/18/26/884171826.db2.gz YNZPDLIEEZIHEG-PHIMTYICSA-N 1 0 292.343 -1.013 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2=COCCO2)C1 ZINC001317104619 884172135 /nfs/dbraw/zinc/17/21/35/884172135.db2.gz OSEXEVNGKAGENK-PHIMTYICSA-N 1 0 293.323 -1.139 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001317063964 884172452 /nfs/dbraw/zinc/17/24/52/884172452.db2.gz MDYHSGZIMAIPIR-JTQLQIEISA-N 1 0 288.373 -1.794 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001317081499 884172539 /nfs/dbraw/zinc/17/25/39/884172539.db2.gz QCPIFAZTHARPER-XYPYZODXSA-N 1 0 277.328 -1.158 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001317105770 884172552 /nfs/dbraw/zinc/17/25/52/884172552.db2.gz VSIAVNOIDKVDII-BBBLOLIVSA-N 1 0 280.328 -1.764 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001317243334 884177742 /nfs/dbraw/zinc/17/77/42/884177742.db2.gz VWAOIFPHNQPCNG-JTQLQIEISA-N 1 0 290.389 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CNC(=O)OC ZINC001317227988 884177781 /nfs/dbraw/zinc/17/77/81/884177781.db2.gz VAKPTPYEIYLMIA-VIFPVBQESA-N 1 0 284.316 -1.814 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001317241643 884177854 /nfs/dbraw/zinc/17/78/54/884177854.db2.gz MPCRGJAOQWNXMU-UWVGGRQHSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC(=O)NCC ZINC001317231974 884178245 /nfs/dbraw/zinc/17/82/45/884178245.db2.gz ALYZMHGERZLNMF-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001317232129 884178260 /nfs/dbraw/zinc/17/82/60/884178260.db2.gz IPWDJUVDKJNGED-NEPJUHHUSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001317232131 884178414 /nfs/dbraw/zinc/17/84/14/884178414.db2.gz IPWDJUVDKJNGED-RYUDHWBXSA-N 1 0 296.371 -1.839 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001317226140 884178503 /nfs/dbraw/zinc/17/85/03/884178503.db2.gz CDOYLINYJVPAAQ-MNOVXSKESA-N 1 0 285.344 -1.202 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CNC(=O)OC ZINC001317227987 884178573 /nfs/dbraw/zinc/17/85/73/884178573.db2.gz VAKPTPYEIYLMIA-SECBINFHSA-N 1 0 284.316 -1.814 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001317220235 884178743 /nfs/dbraw/zinc/17/87/43/884178743.db2.gz NGUJVMIWZIATNH-KPPDAEKUSA-N 1 0 294.355 -1.373 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001317232132 884178916 /nfs/dbraw/zinc/17/89/16/884178916.db2.gz IPWDJUVDKJNGED-VXGBXAGGSA-N 1 0 296.371 -1.839 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317230769 884179125 /nfs/dbraw/zinc/17/91/25/884179125.db2.gz WTBZWNJRVLNWBN-IUCAKERBSA-N 1 0 281.316 -1.208 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1=COCCO1 ZINC001317224979 884179138 /nfs/dbraw/zinc/17/91/38/884179138.db2.gz NZBJSGOMBLQRGM-JTQLQIEISA-N 1 0 281.312 -1.282 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnn(C)c1N ZINC001317235000 884179448 /nfs/dbraw/zinc/17/94/48/884179448.db2.gz ORAHNTNKSSQOLE-SECBINFHSA-N 1 0 292.343 -1.540 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001317259665 884180937 /nfs/dbraw/zinc/18/09/37/884180937.db2.gz YMWWOOMTRSWVQK-LLVKDONJSA-N 1 0 266.345 -1.464 20 30 CAEDRO C[C@@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001317246089 884181127 /nfs/dbraw/zinc/18/11/27/884181127.db2.gz LMSWNISOFXOEHO-VHSXEESVSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001317247873 884181366 /nfs/dbraw/zinc/18/13/66/884181366.db2.gz WRULGEXVVFHEIZ-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001317247868 884181445 /nfs/dbraw/zinc/18/14/45/884181445.db2.gz WRULGEXVVFHEIZ-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001317262317 884181588 /nfs/dbraw/zinc/18/15/88/884181588.db2.gz WVCVFEMOWISLPB-DTWKUNHWSA-N 1 0 295.347 -1.391 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]CC(=O)NCC#N ZINC001317261289 884182372 /nfs/dbraw/zinc/18/23/72/884182372.db2.gz GMUOFVLUXHYPKS-UWVGGRQHSA-N 1 0 295.343 -1.659 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1nnn(C)n1 ZINC001317262319 884182482 /nfs/dbraw/zinc/18/24/82/884182482.db2.gz WVCVFEMOWISLPB-RKDXNWHRSA-N 1 0 295.347 -1.391 20 30 CAEDRO C=CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001317264985 884182975 /nfs/dbraw/zinc/18/29/75/884182975.db2.gz BHUCRFSRPKPOJK-ZJUUUORDSA-N 1 0 270.333 -1.035 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001317259970 884182931 /nfs/dbraw/zinc/18/29/31/884182931.db2.gz YOBCZTJWPVLVRI-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1nnn(C)n1 ZINC001317261237 884183037 /nfs/dbraw/zinc/18/30/37/884183037.db2.gz FSALAXBDUMBTPE-MRVPVSSYSA-N 1 0 279.304 -2.333 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001317272630 884184751 /nfs/dbraw/zinc/18/47/51/884184751.db2.gz ZVFKUERBBMAGLV-WPRPVWTQSA-N 1 0 270.333 -1.353 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)COC)C1 ZINC001317295759 884185160 /nfs/dbraw/zinc/18/51/60/884185160.db2.gz TYQWRIGAJSNPAC-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001317270354 884185282 /nfs/dbraw/zinc/18/52/82/884185282.db2.gz VVMUCOKHXXPIPB-SECBINFHSA-N 1 0 261.347 -1.217 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001317272495 884185495 /nfs/dbraw/zinc/18/54/95/884185495.db2.gz UGEZFIIWPOBVSD-MRVPVSSYSA-N 1 0 280.284 -1.866 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001317270356 884185883 /nfs/dbraw/zinc/18/58/83/884185883.db2.gz VVMUCOKHXXPIPB-VIFPVBQESA-N 1 0 261.347 -1.217 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001317272519 884185897 /nfs/dbraw/zinc/18/58/97/884185897.db2.gz UGEZFIIWPOBVSD-QMMMGPOBSA-N 1 0 280.284 -1.866 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001317285272 884185935 /nfs/dbraw/zinc/18/59/35/884185935.db2.gz VOMGESPTCCRSNV-SECBINFHSA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001317285273 884186180 /nfs/dbraw/zinc/18/61/80/884186180.db2.gz VOMGESPTCCRSNV-VIFPVBQESA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001317300748 884188539 /nfs/dbraw/zinc/18/85/39/884188539.db2.gz APVKANSAHNCWPY-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001317308156 884189276 /nfs/dbraw/zinc/18/92/76/884189276.db2.gz MZSAOVQDYPADCD-NSHDSACASA-N 1 0 292.343 -1.229 20 30 CAEDRO Cn1nccc1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317298305 884189320 /nfs/dbraw/zinc/18/93/20/884189320.db2.gz JQTVUZBMCDNUGS-JTQLQIEISA-N 1 0 290.327 -1.136 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001317301581 884189541 /nfs/dbraw/zinc/18/95/41/884189541.db2.gz UCDONKOKRAGRNE-NSHDSACASA-N 1 0 288.369 -1.129 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001317305863 884189834 /nfs/dbraw/zinc/18/98/34/884189834.db2.gz QOVGMPNIQWJWOW-UWVGGRQHSA-N 1 0 273.358 -1.252 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317312601 884189949 /nfs/dbraw/zinc/18/99/49/884189949.db2.gz JCVFQUCAARSMOS-QWRGUYRKSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)CNC(=O)NC ZINC001317396332 884190964 /nfs/dbraw/zinc/19/09/64/884190964.db2.gz XYLMFEAIGRSBBT-SNVBAGLBSA-N 1 0 297.359 -1.851 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)CC(N)=O ZINC001317388699 884191025 /nfs/dbraw/zinc/19/10/25/884191025.db2.gz NOZRFEWZEHEQDF-JTQLQIEISA-N 1 0 255.318 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CNC(=O)NC ZINC001317396330 884191233 /nfs/dbraw/zinc/19/12/33/884191233.db2.gz XYLMFEAIGRSBBT-JTQLQIEISA-N 1 0 297.359 -1.851 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001317445278 884193730 /nfs/dbraw/zinc/19/37/30/884193730.db2.gz ZKHAAYWERZPDDQ-JTQLQIEISA-N 1 0 269.301 -1.207 20 30 CAEDRO C=CCOCC[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001317457878 884201340 /nfs/dbraw/zinc/20/13/40/884201340.db2.gz FWSQVAYPMOCQGI-SNVBAGLBSA-N 1 0 270.333 -1.082 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001317518911 884206033 /nfs/dbraw/zinc/20/60/33/884206033.db2.gz UUPNNEFSHLXUBG-LBPRGKRZSA-N 1 0 294.355 -1.690 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001317505618 884206173 /nfs/dbraw/zinc/20/61/73/884206173.db2.gz RIJORQLFYHHOSX-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001317518776 884206630 /nfs/dbraw/zinc/20/66/30/884206630.db2.gz TZFDRCLNRDPMNG-LBPRGKRZSA-N 1 0 292.343 -1.239 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)COC)C1 ZINC001317514860 884206835 /nfs/dbraw/zinc/20/68/35/884206835.db2.gz YGKCYEFSZGCNQB-LLVKDONJSA-N 1 0 267.329 -1.180 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CNC(C)=O)C1 ZINC001317518909 884207002 /nfs/dbraw/zinc/20/70/02/884207002.db2.gz UUPNNEFSHLXUBG-GFCCVEGCSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)COC)C1 ZINC001317514861 884207890 /nfs/dbraw/zinc/20/78/90/884207890.db2.gz YGKCYEFSZGCNQB-NSHDSACASA-N 1 0 267.329 -1.180 20 30 CAEDRO C=CCN1CC[C@H](N2CCC[C@H]2CNC(=O)C(N)=O)C1=O ZINC001317506563 884208311 /nfs/dbraw/zinc/20/83/11/884208311.db2.gz BYNNHJHRUACWLM-QWRGUYRKSA-N 1 0 294.355 -1.161 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001317508424 884210538 /nfs/dbraw/zinc/21/05/38/884210538.db2.gz NFMKGMHBCJGTBG-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001317508421 884210724 /nfs/dbraw/zinc/21/07/24/884210724.db2.gz NFMKGMHBCJGTBG-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317506509 884210897 /nfs/dbraw/zinc/21/08/97/884210897.db2.gz AQRHBARRYPEGKT-SECBINFHSA-N 1 0 268.317 -1.646 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001317525004 884214213 /nfs/dbraw/zinc/21/42/13/884214213.db2.gz URXAFLFNPOKAMD-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001317525007 884214695 /nfs/dbraw/zinc/21/46/95/884214695.db2.gz URXAFLFNPOKAMD-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001317525005 884215898 /nfs/dbraw/zinc/21/58/98/884215898.db2.gz URXAFLFNPOKAMD-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001317551048 884216104 /nfs/dbraw/zinc/21/61/04/884216104.db2.gz BBPLNYHWGWFSKO-JTQLQIEISA-N 1 0 278.312 -1.202 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001317525006 884216936 /nfs/dbraw/zinc/21/69/36/884216936.db2.gz URXAFLFNPOKAMD-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001317565645 884217947 /nfs/dbraw/zinc/21/79/47/884217947.db2.gz JNGMNDARAHUOER-GHMZBOCLSA-N 1 0 296.371 -1.303 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001317565648 884217453 /nfs/dbraw/zinc/21/74/53/884217453.db2.gz JNGMNDARAHUOER-WDEREUQCSA-N 1 0 296.371 -1.303 20 30 CAEDRO C#CCOCCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001317523555 884218919 /nfs/dbraw/zinc/21/89/19/884218919.db2.gz SPODZVFWLZOBGA-LLVKDONJSA-N 1 0 267.329 -1.050 20 30 CAEDRO C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001317578633 884220308 /nfs/dbraw/zinc/22/03/08/884220308.db2.gz BNIBEVSOTGCDQD-JTQLQIEISA-N 1 0 293.331 -1.473 20 30 CAEDRO COc1cc(C(=O)N(C)CC[NH2+]CC(=O)NCC#N)on1 ZINC001317578880 884220816 /nfs/dbraw/zinc/22/08/16/884220816.db2.gz FPGJHOYJRBQJQQ-UHFFFAOYSA-N 1 0 295.299 -1.015 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cn1ncnn1 ZINC001317587783 884221007 /nfs/dbraw/zinc/22/10/07/884221007.db2.gz XCUMEEFJRQASTN-UHFFFAOYSA-N 1 0 280.292 -2.639 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)CCn1ccnn1 ZINC001317581629 884222001 /nfs/dbraw/zinc/22/20/01/884222001.db2.gz RKYMRHJQPBFDCI-UHFFFAOYSA-N 1 0 292.343 -1.534 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cnnn1C ZINC001317582894 884222638 /nfs/dbraw/zinc/22/26/38/884222638.db2.gz GLBBTTOHRDYFLQ-UHFFFAOYSA-N 1 0 279.304 -1.884 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)CNC(=O)OC ZINC001317571688 884222712 /nfs/dbraw/zinc/22/27/12/884222712.db2.gz ZXSIKBJXFNKYCI-UHFFFAOYSA-N 1 0 286.332 -1.307 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001317604656 884225248 /nfs/dbraw/zinc/22/52/48/884225248.db2.gz DARUOZWVHXBCLR-UHFFFAOYSA-N 1 0 266.345 -1.558 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001317619066 884226699 /nfs/dbraw/zinc/22/66/99/884226699.db2.gz RKBLTFZASZVOFZ-ZJUUUORDSA-N 1 0 295.343 -1.814 20 30 CAEDRO C=C(C)C[NH2+]CCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001317602337 884225862 /nfs/dbraw/zinc/22/58/62/884225862.db2.gz UKRNFDGCZZBCOZ-UHFFFAOYSA-N 1 0 284.360 -1.137 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001317619065 884226360 /nfs/dbraw/zinc/22/63/60/884226360.db2.gz RKBLTFZASZVOFZ-VHSXEESVSA-N 1 0 295.343 -1.814 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001317630398 884231544 /nfs/dbraw/zinc/23/15/44/884231544.db2.gz VJHFCJIGRZYWPV-AXFHLTTASA-N 1 0 296.371 -1.154 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001317630413 884232832 /nfs/dbraw/zinc/23/28/32/884232832.db2.gz VJHFCJIGRZYWPV-MXWKQRLJSA-N 1 0 296.371 -1.154 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1nc[nH]n1 ZINC001317639184 884233088 /nfs/dbraw/zinc/23/30/88/884233088.db2.gz JIDSONQARBAQBX-UHFFFAOYSA-N 1 0 264.289 -1.784 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001317671466 884236850 /nfs/dbraw/zinc/23/68/50/884236850.db2.gz INIIWLWEOHDLLX-LLVKDONJSA-N 1 0 295.339 -1.263 20 30 CAEDRO C#CCNC(=O)CN1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001318149711 884257266 /nfs/dbraw/zinc/25/72/66/884257266.db2.gz HKAMNNZXZCPWME-UHFFFAOYSA-N 1 0 280.372 -1.265 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001318240514 884259678 /nfs/dbraw/zinc/25/96/78/884259678.db2.gz MILRSRHUPAEYPW-RYUDHWBXSA-N 1 0 293.371 -1.089 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001318240512 884262886 /nfs/dbraw/zinc/26/28/86/884262886.db2.gz MILRSRHUPAEYPW-NWDGAFQWSA-N 1 0 293.371 -1.089 20 30 CAEDRO C[NH+](C)CCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001318276209 884267968 /nfs/dbraw/zinc/26/79/68/884267968.db2.gz KNZYGYIXQYSXOQ-NSHDSACASA-N 1 0 281.360 -1.232 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(CC)C(=O)CN2CCNC(=O)C2)C1 ZINC001318478114 884282998 /nfs/dbraw/zinc/28/29/98/884282998.db2.gz KIWWGSXMTSFDMD-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCC[NH2+][C@@H](CC)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001318524803 884284094 /nfs/dbraw/zinc/28/40/94/884284094.db2.gz PSJCOQAZRPEFEY-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)CC(N)=O)CCCC1 ZINC001318627309 884290071 /nfs/dbraw/zinc/29/00/71/884290071.db2.gz RMZHUJRASSGDOD-UHFFFAOYSA-N 1 0 294.355 -1.370 20 30 CAEDRO C#CC[NH2+][C@H](CC)CNC(=O)CN1C(=O)CNC1=O ZINC001318603847 884290258 /nfs/dbraw/zinc/29/02/58/884290258.db2.gz YNJSFFMZZCGCGM-SECBINFHSA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cnn(C)n1 ZINC001318583502 884290439 /nfs/dbraw/zinc/29/04/39/884290439.db2.gz XFXWDWDVGHCUTO-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cnon1 ZINC001318590693 884290953 /nfs/dbraw/zinc/29/09/53/884290953.db2.gz HJMGTZSONWEJBV-VIFPVBQESA-N 1 0 279.300 -1.083 20 30 CAEDRO C[C@@H](CNC(=O)Cn1cccn1)C[NH2+]CC(=O)NCC#N ZINC001319158907 884310574 /nfs/dbraw/zinc/31/05/74/884310574.db2.gz WHIPEDIVKRKTFO-LLVKDONJSA-N 1 0 292.343 -1.135 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319154187 884311435 /nfs/dbraw/zinc/31/14/35/884311435.db2.gz KEUIQJCJCACNGL-NXEZZACHSA-N 1 0 297.359 -1.507 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319154190 884311693 /nfs/dbraw/zinc/31/16/93/884311693.db2.gz KEUIQJCJCACNGL-UWVGGRQHSA-N 1 0 297.359 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001319232177 884313207 /nfs/dbraw/zinc/31/32/07/884313207.db2.gz YQLFBBVWZFUSNX-CIQGVGRVSA-N 1 0 293.367 -1.030 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001319232180 884314342 /nfs/dbraw/zinc/31/43/42/884314342.db2.gz YQLFBBVWZFUSNX-NMKXLXIOSA-N 1 0 293.367 -1.030 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001319182561 884316166 /nfs/dbraw/zinc/31/61/66/884316166.db2.gz VBNYEYSZRPQWFR-JTQLQIEISA-N 1 0 292.343 -1.480 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001319460713 884330118 /nfs/dbraw/zinc/33/01/18/884330118.db2.gz PUFLSXZETLEZSZ-SNVBAGLBSA-N 1 0 293.331 -2.141 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001319462486 884332783 /nfs/dbraw/zinc/33/27/83/884332783.db2.gz XFZUOHDDWFJTRW-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(N)=O ZINC001319523842 884335238 /nfs/dbraw/zinc/33/52/38/884335238.db2.gz CDMIORKDDRCHFO-DTWKUNHWSA-N 1 0 268.317 -1.954 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)C(N)=O ZINC001319635120 884345687 /nfs/dbraw/zinc/34/56/87/884345687.db2.gz SQWFEAOFFTZPTL-WDEREUQCSA-N 1 0 296.371 -1.270 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)C(N)=O ZINC001319633465 884347046 /nfs/dbraw/zinc/34/70/46/884347046.db2.gz HZONJSAATUQEDR-JTQLQIEISA-N 1 0 284.360 -1.106 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)C(N)=O ZINC001319635115 884347452 /nfs/dbraw/zinc/34/74/52/884347452.db2.gz SQWFEAOFFTZPTL-GHMZBOCLSA-N 1 0 296.371 -1.270 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001319815490 884354019 /nfs/dbraw/zinc/35/40/19/884354019.db2.gz AGFTXYRCSJKIFJ-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H](CNC(=O)C(N)=O)C(C)C)C1=O ZINC001319943678 884363003 /nfs/dbraw/zinc/36/30/03/884363003.db2.gz KSSZSMMSDRGKCC-WDEREUQCSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001320021750 884365906 /nfs/dbraw/zinc/36/59/06/884365906.db2.gz RYFDBJSQNZQGNE-UHFFFAOYSA-N 1 0 282.344 -1.738 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001320089481 884375709 /nfs/dbraw/zinc/37/57/09/884375709.db2.gz CHSASAOBBHDNDS-UHFFFAOYSA-N 1 0 278.316 -1.600 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001320184014 884377037 /nfs/dbraw/zinc/37/70/37/884377037.db2.gz DALQXTCQGODNOB-LLVKDONJSA-N 1 0 295.343 -1.597 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001320184868 884377281 /nfs/dbraw/zinc/37/72/81/884377281.db2.gz GSDUISWBJCVWBD-VIFPVBQESA-N 1 0 264.285 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001320188316 884380326 /nfs/dbraw/zinc/38/03/26/884380326.db2.gz RITXMCRLSMNBKQ-JTQLQIEISA-N 1 0 297.311 -2.309 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001320198234 884380459 /nfs/dbraw/zinc/38/04/59/884380459.db2.gz BCQGTGQLPOJKTQ-JTQLQIEISA-N 1 0 255.318 -1.235 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001320199057 884380878 /nfs/dbraw/zinc/38/08/78/884380878.db2.gz IGVOENFWIICNMR-JTQLQIEISA-N 1 0 266.301 -1.260 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CCOCC1 ZINC001320190608 884381222 /nfs/dbraw/zinc/38/12/22/884381222.db2.gz ZFHCGXFMDVJGJD-LBPRGKRZSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001320186626 884381366 /nfs/dbraw/zinc/38/13/66/884381366.db2.gz LUPCPBXHQLWMIB-KOLCDFICSA-N 1 0 255.318 -1.399 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(F)F ZINC001320190521 884382121 /nfs/dbraw/zinc/38/21/21/884382121.db2.gz YRNZTQKTEJWRDM-MRVPVSSYSA-N 1 0 277.271 -1.542 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccnc1 ZINC001320187514 884381976 /nfs/dbraw/zinc/38/19/76/884381976.db2.gz LAOIJURXFJWPLN-NSHDSACASA-N 1 0 291.311 -1.598 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnsn1 ZINC001320198887 884383018 /nfs/dbraw/zinc/38/30/18/884383018.db2.gz HFXZCQRCOSQDIJ-SECBINFHSA-N 1 0 284.341 -1.132 20 30 CAEDRO C=CCOCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320203588 884383902 /nfs/dbraw/zinc/38/39/02/884383902.db2.gz NOJZGLWTMOWGAI-NXEZZACHSA-N 1 0 299.327 -1.939 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+]CCCO)c1 ZINC001320203623 884384029 /nfs/dbraw/zinc/38/40/29/884384029.db2.gz UCQONASWQGAILA-SNVBAGLBSA-N 1 0 266.301 -1.051 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cocn1 ZINC001320200545 884384096 /nfs/dbraw/zinc/38/40/96/884384096.db2.gz GGWWWUAZYSGEBM-UWVGGRQHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001320272730 884408954 /nfs/dbraw/zinc/40/89/54/884408954.db2.gz JCXGPWJKANVMAJ-AEJSXWLSSA-N 1 0 255.318 -1.249 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001320201116 884385350 /nfs/dbraw/zinc/38/53/50/884385350.db2.gz OWLDWXBLBGKMGS-NXEZZACHSA-N 1 0 293.327 -1.772 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001320201119 884386300 /nfs/dbraw/zinc/38/63/00/884386300.db2.gz OWLDWXBLBGKMGS-VHSXEESVSA-N 1 0 293.327 -1.772 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320203592 884386632 /nfs/dbraw/zinc/38/66/32/884386632.db2.gz NOJZGLWTMOWGAI-VHSXEESVSA-N 1 0 299.327 -1.939 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cocn1 ZINC001320200554 884386899 /nfs/dbraw/zinc/38/68/99/884386899.db2.gz GGWWWUAZYSGEBM-ZJUUUORDSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001320202963 884386937 /nfs/dbraw/zinc/38/69/37/884386937.db2.gz LJGONHRRVLBUKH-MNOVXSKESA-N 1 0 283.328 -2.161 20 30 CAEDRO C=CCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320202313 884387100 /nfs/dbraw/zinc/38/71/00/884387100.db2.gz KRGYYYTZQKEUMR-NXEZZACHSA-N 1 0 283.328 -1.176 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001320203119 884387419 /nfs/dbraw/zinc/38/74/19/884387419.db2.gz RYWQKJGOZSYIPU-NMKXLXIOSA-N 1 0 293.367 -1.151 20 30 CAEDRO C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001320201830 884387928 /nfs/dbraw/zinc/38/79/28/884387928.db2.gz MMIWWKLENLQSOR-SSDOTTSWSA-N 1 0 294.149 -1.163 20 30 CAEDRO Cn1[nH]c(C[NH2+]C[C@@H](O)CNC(=O)C#CC2CC2)nc1=O ZINC001320214811 884388357 /nfs/dbraw/zinc/38/83/57/884388357.db2.gz ALDQOOFSLQIOHY-SNVBAGLBSA-N 1 0 293.327 -1.912 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCS(=O)(=O)NC ZINC001320214841 884388681 /nfs/dbraw/zinc/38/86/81/884388681.db2.gz AXIGQOIQTJQNSS-SNVBAGLBSA-N 1 0 291.373 -1.984 20 30 CAEDRO Cc1cc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)co1 ZINC001320214508 884388857 /nfs/dbraw/zinc/38/88/57/884388857.db2.gz NRUSQBPPUNAEJJ-LLVKDONJSA-N 1 0 294.311 -1.092 20 30 CAEDRO C/C=C(/C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320217048 884389061 /nfs/dbraw/zinc/38/90/61/884389061.db2.gz OQJNVXBNXYGJTM-BNFOFFDWSA-N 1 0 268.317 -1.341 20 30 CAEDRO C/C=C(/C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001320217049 884390301 /nfs/dbraw/zinc/39/03/01/884390301.db2.gz OQJNVXBNXYGJTM-KSXVILFYSA-N 1 0 268.317 -1.341 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001320205592 884390345 /nfs/dbraw/zinc/39/03/45/884390345.db2.gz UVEZWAGKZCGBTD-GHMZBOCLSA-N 1 0 283.328 -2.019 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001320204613 884390421 /nfs/dbraw/zinc/39/04/21/884390421.db2.gz ZFQSWAJJYMTIKM-RKDXNWHRSA-N 1 0 292.361 -2.238 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=CCOCC1 ZINC001320212736 884390440 /nfs/dbraw/zinc/39/04/40/884390440.db2.gz BOXJVLJMSTXZNO-NSHDSACASA-N 1 0 296.327 -1.960 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001320215131 884391177 /nfs/dbraw/zinc/39/11/77/884391177.db2.gz CNALIAKDLZSWNY-GFCCVEGCSA-N 1 0 281.356 -1.009 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001320215132 884390702 /nfs/dbraw/zinc/39/07/02/884390702.db2.gz CNALIAKDLZSWNY-LBPRGKRZSA-N 1 0 281.356 -1.009 20 30 CAEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001320213702 884390962 /nfs/dbraw/zinc/39/09/62/884390962.db2.gz JKGOEWFOQOJTNS-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C/C=C(\C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001320217051 884391127 /nfs/dbraw/zinc/39/11/27/884391127.db2.gz OQJNVXBNXYGJTM-OTVCUZDGSA-N 1 0 268.317 -1.341 20 30 CAEDRO Cn1[nH]c(C[NH2+]C[C@H](O)CNC(=O)C#CC2CC2)nc1=O ZINC001320214805 884391306 /nfs/dbraw/zinc/39/13/06/884391306.db2.gz ALDQOOFSLQIOHY-JTQLQIEISA-N 1 0 293.327 -1.912 20 30 CAEDRO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001320205932 884392898 /nfs/dbraw/zinc/39/28/98/884392898.db2.gz VREOEODSDJNCQO-LLVKDONJSA-N 1 0 285.344 -1.771 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001320216449 884392052 /nfs/dbraw/zinc/39/20/52/884392052.db2.gz KLKAVZZMWUZEST-GFCCVEGCSA-N 1 0 294.355 -1.508 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001320204612 884392468 /nfs/dbraw/zinc/39/24/68/884392468.db2.gz ZFQSWAJJYMTIKM-IUCAKERBSA-N 1 0 292.361 -2.238 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1ccoc1 ZINC001320216198 884392529 /nfs/dbraw/zinc/39/25/29/884392529.db2.gz WOLGTBDVMLJAKC-LBPRGKRZSA-N 1 0 293.323 -1.362 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CNS(=O)(=O)CC ZINC001320227696 884393583 /nfs/dbraw/zinc/39/35/83/884393583.db2.gz TYBKUKMOXVEQES-SECBINFHSA-N 1 0 277.346 -2.374 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CNC(=O)NC ZINC001320227818 884394069 /nfs/dbraw/zinc/39/40/69/884394069.db2.gz VEXFQBFOMFVSRR-VIFPVBQESA-N 1 0 258.322 -1.442 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001320218005 884395519 /nfs/dbraw/zinc/39/55/19/884395519.db2.gz QPPCTEOIZJXGHH-VIFPVBQESA-N 1 0 279.300 -2.161 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001320226244 884396041 /nfs/dbraw/zinc/39/60/41/884396041.db2.gz BQOZRXSZYNSUBN-ZJUUUORDSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001320218025 884396543 /nfs/dbraw/zinc/39/65/43/884396543.db2.gz QSUOJVHEVMNUGX-NSHDSACASA-N 1 0 250.302 -1.338 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)NC ZINC001320227817 884396623 /nfs/dbraw/zinc/39/66/23/884396623.db2.gz VEXFQBFOMFVSRR-SECBINFHSA-N 1 0 258.322 -1.442 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001320226237 884396685 /nfs/dbraw/zinc/39/66/85/884396685.db2.gz BQOZRXSZYNSUBN-NXEZZACHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CNS(=O)(=O)CC ZINC001320227702 884397290 /nfs/dbraw/zinc/39/72/90/884397290.db2.gz TYBKUKMOXVEQES-VIFPVBQESA-N 1 0 277.346 -2.374 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001320235522 884398407 /nfs/dbraw/zinc/39/84/07/884398407.db2.gz OKFKBSKBDYJMAE-FZMZJTMJSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001320232847 884398528 /nfs/dbraw/zinc/39/85/28/884398528.db2.gz DQAASYGCTIVDNH-NSHDSACASA-N 1 0 277.328 -1.145 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001320237214 884398724 /nfs/dbraw/zinc/39/87/24/884398724.db2.gz GPJWTWKSIYDQSV-MRVPVSSYSA-N 1 0 252.274 -1.263 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001320235091 884399505 /nfs/dbraw/zinc/39/95/05/884399505.db2.gz MZJWXTOIQVKCAF-SFYZADRCSA-N 1 0 268.273 -2.716 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](F)CC ZINC001320257147 884401525 /nfs/dbraw/zinc/40/15/25/884401525.db2.gz KUSPUJYDVYVDLQ-VHSXEESVSA-N 1 0 273.308 -1.449 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001320245071 884401918 /nfs/dbraw/zinc/40/19/18/884401918.db2.gz LBHJYXUCLAJXLG-GHMZBOCLSA-N 1 0 267.329 -1.255 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001320260226 884402515 /nfs/dbraw/zinc/40/25/15/884402515.db2.gz TXGROEGPNPHTBN-QWRGUYRKSA-N 1 0 285.344 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001320255926 884402263 /nfs/dbraw/zinc/40/22/63/884402263.db2.gz BIOJGTZXULYLFF-DCAQKATOSA-N 1 0 267.329 -1.542 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001320245072 884402969 /nfs/dbraw/zinc/40/29/69/884402969.db2.gz LBHJYXUCLAJXLG-MNOVXSKESA-N 1 0 267.329 -1.255 20 30 CAEDRO C[NH+]1CCC(C(=O)NC[C@H](O)CNCC#N)CC1 ZINC001320270667 884405077 /nfs/dbraw/zinc/40/50/77/884405077.db2.gz NLFRNDSKBLQPIP-LLVKDONJSA-N 1 0 254.334 -1.082 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001320281912 884407472 /nfs/dbraw/zinc/40/74/72/884407472.db2.gz DXAUBQIJOPNSDF-LBPRGKRZSA-N 1 0 277.324 -1.143 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)nn1 ZINC001320281529 884407564 /nfs/dbraw/zinc/40/75/64/884407564.db2.gz CEMRRHBTSXHKMK-MRVPVSSYSA-N 1 0 282.304 -2.370 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001320282649 884407870 /nfs/dbraw/zinc/40/78/70/884407870.db2.gz UORGWNMLCWHEPF-SFYZADRCSA-N 1 0 270.289 -2.163 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001320282653 884408181 /nfs/dbraw/zinc/40/81/81/884408181.db2.gz UORGWNMLCWHEPF-YUMQZZPRSA-N 1 0 270.289 -2.163 20 30 CAEDRO CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320279732 884408522 /nfs/dbraw/zinc/40/85/22/884408522.db2.gz FZLVODMOPSUJDA-OUAUKWLOSA-N 1 0 282.344 -1.261 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCN1CCOCC1 ZINC001320287219 884410582 /nfs/dbraw/zinc/41/05/82/884410582.db2.gz WWWYGBUSKFGOGY-LBPRGKRZSA-N 1 0 271.361 -1.039 20 30 CAEDRO N#CCNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320296476 884410991 /nfs/dbraw/zinc/41/09/91/884410991.db2.gz QVULDDNFSJVSEI-SNVBAGLBSA-N 1 0 252.318 -1.328 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCN1CCOCC1 ZINC001320286470 884411601 /nfs/dbraw/zinc/41/16/01/884411601.db2.gz LGFOFZYXNPLOLT-ZDUSSCGKSA-N 1 0 283.372 -1.201 20 30 CAEDRO CC(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001320298086 884411848 /nfs/dbraw/zinc/41/18/48/884411848.db2.gz DSLBTRBGAYHNJV-SECBINFHSA-N 1 0 270.333 -1.261 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001320300892 884412099 /nfs/dbraw/zinc/41/20/99/884412099.db2.gz CCMZMQNAAQYZTA-VIFPVBQESA-N 1 0 282.300 -2.372 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nccs1 ZINC001320291300 884412378 /nfs/dbraw/zinc/41/23/78/884412378.db2.gz AQARPHVCDLZMRL-VIFPVBQESA-N 1 0 296.352 -1.427 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](CC(C)C)C(N)=O ZINC001320319147 884414019 /nfs/dbraw/zinc/41/40/19/884414019.db2.gz XXVUAJIYSGOXCD-WDEREUQCSA-N 1 0 269.345 -1.166 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CNC(C)=O ZINC001320331344 884414549 /nfs/dbraw/zinc/41/45/49/884414549.db2.gz FJKFVYPXOURPGS-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001320304102 884414587 /nfs/dbraw/zinc/41/45/87/884414587.db2.gz PBRITKIUZBZSQU-SNVBAGLBSA-N 1 0 298.343 -1.429 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001320312964 884414791 /nfs/dbraw/zinc/41/47/91/884414791.db2.gz IYPLRLXXLSNVNX-RKDXNWHRSA-N 1 0 275.330 -2.622 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001320315124 884415476 /nfs/dbraw/zinc/41/54/76/884415476.db2.gz HHZSIBOTUPFILF-MNOVXSKESA-N 1 0 282.344 -1.381 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001320316298 884415502 /nfs/dbraw/zinc/41/55/02/884415502.db2.gz MQNHGWDJOOGZMW-NWDGAFQWSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001320356469 884418704 /nfs/dbraw/zinc/41/87/04/884418704.db2.gz KKNYDYBQZQMIBX-NWDGAFQWSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001320438450 884422620 /nfs/dbraw/zinc/42/26/20/884422620.db2.gz BGUSBGPPUDBTEI-LLVKDONJSA-N 1 0 292.339 -1.335 20 30 CAEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001320468014 884423064 /nfs/dbraw/zinc/42/30/64/884423064.db2.gz HTVNDRVZFBFDRS-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]CC(N)=O ZINC001320735351 884446338 /nfs/dbraw/zinc/44/63/38/884446338.db2.gz XIGCCSHIMQPKEV-SNVBAGLBSA-N 1 0 255.318 -1.052 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001320853938 884450828 /nfs/dbraw/zinc/45/08/28/884450828.db2.gz FXXHDVPBDKGDJZ-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)CC(N)=O ZINC001320999377 884461235 /nfs/dbraw/zinc/46/12/35/884461235.db2.gz JVCJQBBMJSXVDR-ARJAWSKDSA-N 1 0 266.301 -2.127 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CC(N)=O ZINC001320999378 884462917 /nfs/dbraw/zinc/46/29/17/884462917.db2.gz JVCJQBBMJSXVDR-ONEGZZNKSA-N 1 0 266.301 -2.127 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321057990 884464813 /nfs/dbraw/zinc/46/48/13/884464813.db2.gz UZKVUAKXWJEDDN-YEZKRMTDSA-N 1 0 296.327 -1.518 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1COC(=O)N1 ZINC001321045221 884464848 /nfs/dbraw/zinc/46/48/48/884464848.db2.gz PWXIGPBLFORCGW-FSIBCCDJSA-N 1 0 294.311 -1.894 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cn(C)nn1 ZINC001321045212 884466365 /nfs/dbraw/zinc/46/63/65/884466365.db2.gz PQOWYFFWRZJELG-SNAWJCMRSA-N 1 0 292.343 -1.007 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001321095729 884468210 /nfs/dbraw/zinc/46/82/10/884468210.db2.gz DPSITMBCGXFIHX-MVZIDQBPSA-N 1 0 278.356 -1.169 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)CNC(=O)NC ZINC001321085228 884468599 /nfs/dbraw/zinc/46/85/99/884468599.db2.gz UISWTWWTNQUIGV-PLNGDYQASA-N 1 0 295.343 -2.073 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)C(N)=O ZINC001321224349 884479907 /nfs/dbraw/zinc/47/99/07/884479907.db2.gz RLMREAAFSBCRTI-XRVBUDJMSA-N 1 0 268.317 -1.576 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001321224344 884481005 /nfs/dbraw/zinc/48/10/05/884481005.db2.gz RLMREAAFSBCRTI-MOVJSRMASA-N 1 0 268.317 -1.576 20 30 CAEDRO C#CCNC(=O)C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001321272847 884483177 /nfs/dbraw/zinc/48/31/77/884483177.db2.gz ZDMNHDYZIFIYNT-UHFFFAOYSA-N 1 0 292.339 -1.000 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1nc[nH]n1 ZINC001321342026 884487306 /nfs/dbraw/zinc/48/73/06/884487306.db2.gz ZZIPKGKTGIQHKP-UPHRSURJSA-N 1 0 291.315 -1.751 20 30 CAEDRO COCC#CC[NH2+]C/C=C/CNC(=O)CCn1cnnn1 ZINC001321305945 884487760 /nfs/dbraw/zinc/48/77/60/884487760.db2.gz UNJBADMBFORVFB-NSCUHMNNSA-N 1 0 292.343 -1.025 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001321455548 884495615 /nfs/dbraw/zinc/49/56/15/884495615.db2.gz RZROVYXVKQVGEB-NXEZZACHSA-N 1 0 293.331 -2.095 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnsn1 ZINC001321463453 884496366 /nfs/dbraw/zinc/49/63/66/884496366.db2.gz DMJWSDRAHQXSGD-MRVPVSSYSA-N 1 0 281.341 -1.005 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnc[nH]c1=O ZINC001321552993 884498839 /nfs/dbraw/zinc/49/88/39/884498839.db2.gz YOFUNSFZDLGZTD-MRVPVSSYSA-N 1 0 292.299 -1.470 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cncn1C ZINC001321577161 884503077 /nfs/dbraw/zinc/50/30/77/884503077.db2.gz GRMLFVZILNEYKP-SECBINFHSA-N 1 0 278.316 -1.232 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001321662507 884509619 /nfs/dbraw/zinc/50/96/19/884509619.db2.gz WFXSMGABXMOYRJ-SNVBAGLBSA-N 1 0 290.389 -1.500 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1cncn1C ZINC001321710186 884512934 /nfs/dbraw/zinc/51/29/34/884512934.db2.gz LVYYOEZNQKHNNU-SNVBAGLBSA-N 1 0 292.343 -1.303 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cnnn1 ZINC001321789935 884517089 /nfs/dbraw/zinc/51/70/89/884517089.db2.gz RZROVYXVKQVGEB-VHSXEESVSA-N 1 0 293.331 -2.095 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001321906360 884526710 /nfs/dbraw/zinc/52/67/10/884526710.db2.gz GMZFPPHJZGAYQC-DTWKUNHWSA-N 1 0 278.316 -1.350 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001321950416 884528707 /nfs/dbraw/zinc/52/87/07/884528707.db2.gz VXKXINFWJYRYSD-UWVGGRQHSA-N 1 0 297.359 -1.594 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001321957232 884528740 /nfs/dbraw/zinc/52/87/40/884528740.db2.gz SXEIDFKSBMZWQV-WDEREUQCSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001321956988 884529378 /nfs/dbraw/zinc/52/93/78/884529378.db2.gz BQKHCEAYEGDLBY-VIFPVBQESA-N 1 0 293.327 -1.220 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001321956893 884529495 /nfs/dbraw/zinc/52/94/95/884529495.db2.gz AJLXJHKMLMLSBM-WDEREUQCSA-N 1 0 294.355 -1.549 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1cnoc1 ZINC001321959490 884530370 /nfs/dbraw/zinc/53/03/70/884530370.db2.gz YEGUVMQJXCJEJK-VIFPVBQESA-N 1 0 279.300 -1.049 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CNC(=O)N1 ZINC001321966151 884531066 /nfs/dbraw/zinc/53/10/66/884531066.db2.gz MMBCKEPTDOGNLD-JGVFFNPUSA-N 1 0 282.304 -2.598 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001321950055 884531158 /nfs/dbraw/zinc/53/11/58/884531158.db2.gz QAYOYSUEXUEINF-DTWKUNHWSA-N 1 0 296.331 -2.256 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)NC(C)=O ZINC001321992838 884534831 /nfs/dbraw/zinc/53/48/31/884534831.db2.gz XPBYXOVIWJALRC-CMPLNLGQSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001322074265 884536376 /nfs/dbraw/zinc/53/63/76/884536376.db2.gz ZOQJYXHNCGFODP-NSHDSACASA-N 1 0 287.385 -1.556 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001322292997 884545512 /nfs/dbraw/zinc/54/55/12/884545512.db2.gz KGFZMDJUTADFNS-SECBINFHSA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001322298586 884546650 /nfs/dbraw/zinc/54/66/50/884546650.db2.gz MOYWLCZIAYOZJW-VIFPVBQESA-N 1 0 261.347 -1.395 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CNC(C)=O ZINC001322383189 884551141 /nfs/dbraw/zinc/55/11/41/884551141.db2.gz GNKSZRCKACSTCI-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C(N)=O ZINC001322672302 884569274 /nfs/dbraw/zinc/56/92/74/884569274.db2.gz FFMWDWGEHWHKHX-UHFFFAOYSA-N 1 0 254.290 -2.341 20 30 CAEDRO CC#CC[NH2+]CCCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001322843949 884584618 /nfs/dbraw/zinc/58/46/18/884584618.db2.gz MFIOROZSVYHIMG-UHFFFAOYSA-N 1 0 292.343 -1.162 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001322966906 884588977 /nfs/dbraw/zinc/58/89/77/884588977.db2.gz LNOVFSMWLVBJLY-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001322966905 884590947 /nfs/dbraw/zinc/59/09/47/884590947.db2.gz LNOVFSMWLVBJLY-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001322999621 884592305 /nfs/dbraw/zinc/59/23/05/884592305.db2.gz JGESLOCNPOSWPI-GXSJLCMTSA-N 1 0 267.329 -1.006 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001322999633 884593394 /nfs/dbraw/zinc/59/33/94/884593394.db2.gz JGESLOCNPOSWPI-ONGXEEELSA-N 1 0 267.329 -1.006 20 30 CAEDRO C[C@@H](NC(=O)NCC(=O)NCC#N)[C@@H]1CN(C)CCO1 ZINC001323068064 884595761 /nfs/dbraw/zinc/59/57/61/884595761.db2.gz HRJMDWUDUWVGCD-ZJUUUORDSA-N 1 0 283.332 -1.356 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001323261807 884607773 /nfs/dbraw/zinc/60/77/73/884607773.db2.gz KSLMDGPEBNVZPR-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001323443993 884618695 /nfs/dbraw/zinc/61/86/95/884618695.db2.gz UAIKBYPRUORCKY-NSHDSACASA-N 1 0 292.339 -1.097 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)CNC(=O)NC)CC1 ZINC001323457966 884621155 /nfs/dbraw/zinc/62/11/55/884621155.db2.gz SIRTWSXEEJTXSG-UHFFFAOYSA-N 1 0 295.343 -2.097 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001323629277 884628729 /nfs/dbraw/zinc/62/87/29/884628729.db2.gz UQZYEENAPRDVIO-SECBINFHSA-N 1 0 263.297 -1.089 20 30 CAEDRO CN(C)S(=O)(=O)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001323744573 884633754 /nfs/dbraw/zinc/63/37/54/884633754.db2.gz NEPWOHVJEQQYNG-UHFFFAOYSA-N 1 0 288.373 -1.018 20 30 CAEDRO CC[N@H+](CCO)CCNC(=O)Cn1cnc(C#N)n1 ZINC001324041328 884647742 /nfs/dbraw/zinc/64/77/42/884647742.db2.gz ACWIDARVTRCHLD-UHFFFAOYSA-N 1 0 266.305 -1.420 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001324265896 884657055 /nfs/dbraw/zinc/65/70/55/884657055.db2.gz FZCNRDZJFNRYFQ-VIFPVBQESA-N 1 0 259.331 -1.511 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](CO)NC(N)=O ZINC001324375507 884668488 /nfs/dbraw/zinc/66/84/88/884668488.db2.gz YYTGGYFEKXBMEO-VIFPVBQESA-N 1 0 256.306 -1.913 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001324419723 884670819 /nfs/dbraw/zinc/67/08/19/884670819.db2.gz DKYYBOMEHWKUKF-LBPRGKRZSA-N 1 0 297.355 -1.595 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001324419617 884670945 /nfs/dbraw/zinc/67/09/45/884670945.db2.gz DKYYBOMEHWKUKF-GFCCVEGCSA-N 1 0 297.355 -1.595 20 30 CAEDRO C=C[C@H](COC)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001324578168 884677985 /nfs/dbraw/zinc/67/79/85/884677985.db2.gz QUBSFEUDRDNCKL-NEPJUHHUSA-N 1 0 298.387 -1.334 20 30 CAEDRO C=C[C@H](COC)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001324578174 884678766 /nfs/dbraw/zinc/67/87/66/884678766.db2.gz QUBSFEUDRDNCKL-VXGBXAGGSA-N 1 0 298.387 -1.334 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001324777907 884690885 /nfs/dbraw/zinc/69/08/85/884690885.db2.gz XYSVBYCJYHHMAA-IINYFYTJSA-N 1 0 294.355 -1.562 20 30 CAEDRO C[C@]1(C[NH2+]CC(=O)NCC#N)CCN(C(=O)C(N)=O)C1 ZINC001324776876 884691990 /nfs/dbraw/zinc/69/19/90/884691990.db2.gz RFVZYIHYNXJDOK-GFCCVEGCSA-N 1 0 281.316 -2.060 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)Cn2ncnn2)CCOCC1 ZINC001325001279 884702600 /nfs/dbraw/zinc/70/26/00/884702600.db2.gz AIJGPMIHGUGLNB-UHFFFAOYSA-N 1 0 278.316 -1.439 20 30 CAEDRO N#CCNC(=O)CN1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001325052727 884702651 /nfs/dbraw/zinc/70/26/51/884702651.db2.gz BCDJYLZAYHCYKX-CQSZACIVSA-N 1 0 294.355 -1.021 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001325082583 884703562 /nfs/dbraw/zinc/70/35/62/884703562.db2.gz NVFHMBAROKWPJT-CABZTGNLSA-N 1 0 268.317 -1.771 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001325084825 884705233 /nfs/dbraw/zinc/70/52/33/884705233.db2.gz YRPCSVWPOKCLQF-GFCCVEGCSA-N 1 0 263.301 -1.385 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001325081470 884707046 /nfs/dbraw/zinc/70/70/46/884707046.db2.gz IKNXSXBZYVGJPO-MFKMUULPSA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001325112955 884709670 /nfs/dbraw/zinc/70/96/70/884709670.db2.gz DGVSTKGIZWQURV-ZWNOBZJWSA-N 1 0 267.329 -1.316 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001325124508 884709735 /nfs/dbraw/zinc/70/97/35/884709735.db2.gz WPDRGXXJMGZQAH-GXFFZTMASA-N 1 0 280.328 -1.756 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001325128315 884710335 /nfs/dbraw/zinc/71/03/35/884710335.db2.gz YQUFYLIQJAKZOY-AWEZNQCLSA-N 1 0 291.355 -1.066 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001325112942 884710595 /nfs/dbraw/zinc/71/05/95/884710595.db2.gz DGVSTKGIZWQURV-GWCFXTLKSA-N 1 0 267.329 -1.316 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001325115642 884710717 /nfs/dbraw/zinc/71/07/17/884710717.db2.gz VWNMKXXZOVTCMQ-LBPRGKRZSA-N 1 0 263.301 -1.087 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001325115272 884711912 /nfs/dbraw/zinc/71/19/12/884711912.db2.gz RGWPPHWDVBNXJV-CQSZACIVSA-N 1 0 294.355 -2.396 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001325122304 884711957 /nfs/dbraw/zinc/71/19/57/884711957.db2.gz FBEMYGJCSSAPJL-BXUZGUMPSA-N 1 0 279.340 -1.349 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001325103176 884712132 /nfs/dbraw/zinc/71/21/32/884712132.db2.gz YXAQISFSMRVXDU-LBPRGKRZSA-N 1 0 270.333 -1.346 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001325384290 884732764 /nfs/dbraw/zinc/73/27/64/884732764.db2.gz JHDMWBSOGRONOX-QWRGUYRKSA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001325762514 884740006 /nfs/dbraw/zinc/74/00/06/884740006.db2.gz OKOWVIUUMNPMHR-GARJFASQSA-N 1 0 294.355 -1.447 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001325713107 884741309 /nfs/dbraw/zinc/74/13/09/884741309.db2.gz PNPDNDMYAYKKDT-NSHDSACASA-N 1 0 282.344 -2.146 20 30 CAEDRO N#CCNC1CC[NH+](CCNC(=O)Cn2cnnn2)CC1 ZINC001325784175 884745827 /nfs/dbraw/zinc/74/58/27/884745827.db2.gz NPHJARVOVXLNBD-UHFFFAOYSA-N 1 0 292.347 -1.633 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H](C)NC(C)=O ZINC001325969606 884752757 /nfs/dbraw/zinc/75/27/57/884752757.db2.gz QZTAQYICJLGGJG-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cnn(C)c1N ZINC001326008929 884753748 /nfs/dbraw/zinc/75/37/48/884753748.db2.gz GGIRHRIKCMZEJQ-UHFFFAOYSA-N 1 0 265.317 -1.340 20 30 CAEDRO N#Cc1c[nH]c(C(=O)N(CCO)CC[NH2+]CCO)c1 ZINC001326002032 884757261 /nfs/dbraw/zinc/75/72/61/884757261.db2.gz RUDBNIWJAJZICM-UHFFFAOYSA-N 1 0 266.301 -1.097 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)CN1CCOCC1=O ZINC001326034090 884760210 /nfs/dbraw/zinc/76/02/10/884760210.db2.gz QNAYAVPIWVXPJJ-UHFFFAOYSA-N 1 0 297.355 -1.721 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001326033359 884760813 /nfs/dbraw/zinc/76/08/13/884760813.db2.gz RIFNHHZPCVYUBE-UHFFFAOYSA-N 1 0 274.342 -1.925 20 30 CAEDRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001326057133 884762927 /nfs/dbraw/zinc/76/29/27/884762927.db2.gz GRQHNCUXISGUAU-BIIVOSGPSA-N 1 0 260.319 -1.848 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001326057069 884764150 /nfs/dbraw/zinc/76/41/50/884764150.db2.gz STTAEYXJKPCRHM-UHFFFAOYSA-N 1 0 296.327 -1.455 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)S(C)(=O)=O ZINC001326046201 884764326 /nfs/dbraw/zinc/76/43/26/884764326.db2.gz TXTPQOORUACMBV-LLVKDONJSA-N 1 0 290.385 -1.147 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)CS(C)(=O)=O ZINC001326159620 884770902 /nfs/dbraw/zinc/77/09/02/884770902.db2.gz QDQFWQVTFRRVIL-LLVKDONJSA-N 1 0 290.385 -1.289 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2nncn2C1 ZINC001326147748 884771356 /nfs/dbraw/zinc/77/13/56/884771356.db2.gz GYHJBQSGHZKSTN-GFCCVEGCSA-N 1 0 291.355 -1.116 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1ccc(C(N)=O)nc1 ZINC001326158304 884771470 /nfs/dbraw/zinc/77/14/70/884771470.db2.gz GVXHJDOGPVTDAA-UHFFFAOYSA-N 1 0 290.323 -1.162 20 30 CAEDRO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001326304944 884782195 /nfs/dbraw/zinc/78/21/95/884782195.db2.gz CJIQYQGNJGVOAT-JGVFFNPUSA-N 1 0 279.300 -1.455 20 30 CAEDRO C#CCNC(=O)CCN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001326447766 884795489 /nfs/dbraw/zinc/79/54/89/884795489.db2.gz INTYEOHIBSSCSN-GFCCVEGCSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N(CC(N)=O)CC(N)=O)CC1 ZINC001326514502 884801818 /nfs/dbraw/zinc/80/18/18/884801818.db2.gz OCVUHVMPAHMNAK-UHFFFAOYSA-N 1 0 280.328 -1.869 20 30 CAEDRO N#CC1(NC(=O)CN2C[C@H](O)C[C@H]2CO)CCC1 ZINC001326538995 884803533 /nfs/dbraw/zinc/80/35/33/884803533.db2.gz FLGIUSLNMDICLY-VHSXEESVSA-N 1 0 253.302 -1.024 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001326548349 884805062 /nfs/dbraw/zinc/80/50/62/884805062.db2.gz AIWLQZYQSCTVJB-UHFFFAOYSA-N 1 0 267.329 -1.002 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001326548487 884805485 /nfs/dbraw/zinc/80/54/85/884805485.db2.gz XFGZDYJBKUFUHL-VHSXEESVSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001326589790 884810792 /nfs/dbraw/zinc/81/07/92/884810792.db2.gz GHCIJODAXAGDAF-VXGBXAGGSA-N 1 0 297.355 -1.425 20 30 CAEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC001326584053 884811510 /nfs/dbraw/zinc/81/15/10/884811510.db2.gz OLCMQKRHZFQETA-HBNTYKKESA-N 1 0 280.328 -1.101 20 30 CAEDRO N#CCNC(=O)CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC001326656288 884818148 /nfs/dbraw/zinc/81/81/48/884818148.db2.gz HPCIEBSRRPZIIF-UHFFFAOYSA-N 1 0 283.332 -1.352 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(C)=O)CCO1 ZINC001326937764 884846912 /nfs/dbraw/zinc/84/69/12/884846912.db2.gz NCYYJVVLKMDOBS-NSHDSACASA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001326959202 884849488 /nfs/dbraw/zinc/84/94/88/884849488.db2.gz WBGOMKVCBWDKCE-NSHDSACASA-N 1 0 285.344 -1.248 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001326972784 884850975 /nfs/dbraw/zinc/85/09/75/884850975.db2.gz ATXPGQOJCHJJBO-SNVBAGLBSA-N 1 0 263.301 -1.121 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 ZINC001326987531 884851195 /nfs/dbraw/zinc/85/11/95/884851195.db2.gz CURPWEFYCKURIT-SNVBAGLBSA-N 1 0 270.333 -1.082 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO1 ZINC001326991326 884853055 /nfs/dbraw/zinc/85/30/55/884853055.db2.gz QNZVCRPQBSUIII-GHMZBOCLSA-N 1 0 288.369 -1.130 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001327035340 884856579 /nfs/dbraw/zinc/85/65/79/884856579.db2.gz MYGDURKBQNOYQP-FZMZJTMJSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001327035342 884858202 /nfs/dbraw/zinc/85/82/02/884858202.db2.gz MYGDURKBQNOYQP-SMDDNHRTSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001327063168 884859586 /nfs/dbraw/zinc/85/95/86/884859586.db2.gz HNPXWNZOBGCOHK-LLVKDONJSA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001327063169 884861126 /nfs/dbraw/zinc/86/11/26/884861126.db2.gz HNPXWNZOBGCOHK-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CC[N@@H+](C)CCCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001327213560 884872925 /nfs/dbraw/zinc/87/29/25/884872925.db2.gz UAQWEPYNTMLTJG-UHFFFAOYSA-N 1 0 292.343 -1.210 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC001327520983 884898638 /nfs/dbraw/zinc/89/86/38/884898638.db2.gz QANKHABTQSHBKA-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C=CCO[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC001327544581 884899718 /nfs/dbraw/zinc/89/97/18/884899718.db2.gz JLCVOKMIUMBWSP-JTQLQIEISA-N 1 0 253.302 -1.122 20 30 CAEDRO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cnnn2)C1 ZINC001327544327 884899921 /nfs/dbraw/zinc/89/99/21/884899921.db2.gz DWMKBTOTPKLSPO-LBPRGKRZSA-N 1 0 280.332 -1.198 20 30 CAEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC001327544582 884900560 /nfs/dbraw/zinc/90/05/60/884900560.db2.gz JLCVOKMIUMBWSP-SNVBAGLBSA-N 1 0 253.302 -1.122 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C1(C(N)=O)CCOCC1 ZINC001327549145 884901436 /nfs/dbraw/zinc/90/14/36/884901436.db2.gz OQAUJUOBFLFRPK-UHFFFAOYSA-N 1 0 253.302 -1.250 20 30 CAEDRO C=CCOCC[NH2+][C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327591749 884903882 /nfs/dbraw/zinc/90/38/82/884903882.db2.gz NJDXORAEOWVRPE-CYBMUJFWSA-N 1 0 285.344 -1.383 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)[C@H]2CNC(=O)N2)CCOCC1 ZINC001327655696 884918762 /nfs/dbraw/zinc/91/87/62/884918762.db2.gz GCMSRLMJFLPLKK-SNVBAGLBSA-N 1 0 280.328 -1.444 20 30 CAEDRO C=CCNC(=[NH2+])NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001327772166 884923491 /nfs/dbraw/zinc/92/34/91/884923491.db2.gz IXCJNMPKXIQLDL-SECBINFHSA-N 1 0 288.373 -1.020 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001327827755 884927191 /nfs/dbraw/zinc/92/71/91/884927191.db2.gz APUQXMLGPDDLTF-NXEZZACHSA-N 1 0 271.292 -1.350 20 30 CAEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001327834169 884929322 /nfs/dbraw/zinc/92/93/22/884929322.db2.gz INRODQYMCGUNSA-JTQLQIEISA-N 1 0 281.360 -1.185 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)nn1 ZINC001327961937 884942652 /nfs/dbraw/zinc/94/26/52/884942652.db2.gz QDMGCLBYPOJUAY-LLVKDONJSA-N 1 0 292.343 -1.066 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001327977631 884946130 /nfs/dbraw/zinc/94/61/30/884946130.db2.gz IMCCAYISOJICNT-LLVKDONJSA-N 1 0 297.359 -1.276 20 30 CAEDRO N#Cc1ncn(CC[NH2+]C[C@H](O)Cn2cccn2)n1 ZINC001327991509 884946610 /nfs/dbraw/zinc/94/66/10/884946610.db2.gz HNTPLAIBXMEVDN-JTQLQIEISA-N 1 0 261.289 -1.003 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCCS(N)(=O)=O ZINC001327992068 884947122 /nfs/dbraw/zinc/94/71/22/884947122.db2.gz LWZCWBJZSZEOIW-UHFFFAOYSA-N 1 0 261.347 -1.216 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C1CCN(CC(=O)NC)CC1 ZINC001327975097 884947232 /nfs/dbraw/zinc/94/72/32/884947232.db2.gz FPSMEYNFUDPSQD-UHFFFAOYSA-N 1 0 280.372 -1.074 20 30 CAEDRO C#CCC[NH2+]CC1(O)CCN(C(=O)CNC(=O)NC)CC1 ZINC001328172206 884960477 /nfs/dbraw/zinc/96/04/77/884960477.db2.gz SXQSTTQTLIPXNZ-UHFFFAOYSA-N 1 0 296.371 -1.118 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CC(N)=O ZINC001328323453 884966902 /nfs/dbraw/zinc/96/69/02/884966902.db2.gz TXKDHPMGKRRLFO-VHSXEESVSA-N 1 0 282.344 -1.516 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)nn1 ZINC001328370293 884974388 /nfs/dbraw/zinc/97/43/88/884974388.db2.gz NANOUDPTYWJZIY-SECBINFHSA-N 1 0 280.332 -1.196 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC001328381383 884978377 /nfs/dbraw/zinc/97/83/77/884978377.db2.gz VHGQBOONXIVBPX-VHSXEESVSA-N 1 0 253.302 -1.429 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001328389574 884978820 /nfs/dbraw/zinc/97/88/20/884978820.db2.gz WCKCAEYOSJARJZ-LBPRGKRZSA-N 1 0 280.372 -1.074 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC001328381382 884979334 /nfs/dbraw/zinc/97/93/34/884979334.db2.gz VHGQBOONXIVBPX-UWVGGRQHSA-N 1 0 253.302 -1.429 20 30 CAEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001328380781 884980532 /nfs/dbraw/zinc/98/05/32/884980532.db2.gz HWDNCZCGSPRWOX-IUCAKERBSA-N 1 0 254.290 -1.539 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001328413203 884981779 /nfs/dbraw/zinc/98/17/79/884981779.db2.gz LOHXUTZFZSQJHN-AXFHLTTASA-N 1 0 294.355 -1.658 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001328414741 884982055 /nfs/dbraw/zinc/98/20/55/884982055.db2.gz ZOFZVJNOSPNBLT-ONGXEEELSA-N 1 0 282.344 -1.516 20 30 CAEDRO COCC(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001328811437 885025921 /nfs/dbraw/zinc/02/59/21/885025921.db2.gz CLSDRWSRCVEKKL-UHFFFAOYSA-N 1 0 268.317 -1.243 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C(N)=O)C1 ZINC001328903811 885034769 /nfs/dbraw/zinc/03/47/69/885034769.db2.gz GEGVJPQIKLAJJP-XNWIYYODSA-N 1 0 282.344 -1.353 20 30 CAEDRO C#CC[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001328960156 885039350 /nfs/dbraw/zinc/03/93/50/885039350.db2.gz BIOHAWHDAXBEQY-UHFFFAOYSA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CCCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001328982070 885041585 /nfs/dbraw/zinc/04/15/85/885041585.db2.gz RQIQLEOZSZCDBQ-JTQLQIEISA-N 1 0 253.302 -1.379 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001329033624 885048537 /nfs/dbraw/zinc/04/85/37/885048537.db2.gz IRBWHLJJEANALT-NXEZZACHSA-N 1 0 293.331 -2.095 20 30 CAEDRO Cc1nn[nH]c1C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329090372 885058371 /nfs/dbraw/zinc/05/83/71/885058371.db2.gz LCOBPCRBUFEIJG-HTQZYQBOSA-N 1 0 293.331 -1.151 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001329098790 885061668 /nfs/dbraw/zinc/06/16/68/885061668.db2.gz CEPWBKJYZRHROH-VGMNWLOBSA-N 1 0 257.315 -1.209 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(CC)CC[NH3+])nn1 ZINC001329091028 885061715 /nfs/dbraw/zinc/06/17/15/885061715.db2.gz INQCSUJQIKWHBE-UHFFFAOYSA-N 1 0 280.332 -1.113 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329105656 885062282 /nfs/dbraw/zinc/06/22/82/885062282.db2.gz AZMNVUUAXAFGGV-HTQZYQBOSA-N 1 0 256.306 -1.743 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCO1 ZINC001329092800 885062667 /nfs/dbraw/zinc/06/26/67/885062667.db2.gz IJEKZDHWVOZJTN-JTQLQIEISA-N 1 0 296.327 -1.639 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCOCC[NH2+]C ZINC001329095972 885062850 /nfs/dbraw/zinc/06/28/50/885062850.db2.gz UIEYFCGJRYNEIB-NSHDSACASA-N 1 0 283.328 -1.801 20 30 CAEDRO COCC#CC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001329112826 885065446 /nfs/dbraw/zinc/06/54/46/885065446.db2.gz JPUCEOIXWIEDSU-LBPRGKRZSA-N 1 0 270.329 -1.212 20 30 CAEDRO COCC#CC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001329112824 885066351 /nfs/dbraw/zinc/06/63/51/885066351.db2.gz JPUCEOIXWIEDSU-GFCCVEGCSA-N 1 0 270.329 -1.212 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@H](C)[NH3+])nn1 ZINC001329126261 885069677 /nfs/dbraw/zinc/06/96/77/885069677.db2.gz LUMABVBKGLTAEU-QMMMGPOBSA-N 1 0 266.305 -1.456 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC001329163290 885072871 /nfs/dbraw/zinc/07/28/71/885072871.db2.gz QMMBZIMWEMGRIK-UHFFFAOYSA-N 1 0 279.340 -1.095 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CNC(=O)C1 ZINC001329226389 885077881 /nfs/dbraw/zinc/07/78/81/885077881.db2.gz YCDJHYNGUSUFJX-NSHDSACASA-N 1 0 283.376 -1.380 20 30 CAEDRO N#CCCN1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001329317324 885089640 /nfs/dbraw/zinc/08/96/40/885089640.db2.gz WEQBHCFURCODQG-UHFFFAOYSA-N 1 0 265.361 -1.051 20 30 CAEDRO C[NH2+]CCOCCN(C)C(=O)NCC(=O)NCC#N ZINC001329427450 885099978 /nfs/dbraw/zinc/09/99/78/885099978.db2.gz WPAQBXYRZJNACO-UHFFFAOYSA-N 1 0 271.321 -1.496 20 30 CAEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001329474203 885107411 /nfs/dbraw/zinc/10/74/11/885107411.db2.gz JHKCTKDUHXBTNK-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001329474204 885108337 /nfs/dbraw/zinc/10/83/37/885108337.db2.gz JHKCTKDUHXBTNK-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001329470149 885108409 /nfs/dbraw/zinc/10/84/09/885108409.db2.gz NZYFKEYCARYVGV-GFCCVEGCSA-N 1 0 286.307 -1.197 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCN1C1CC1 ZINC001329562254 885117579 /nfs/dbraw/zinc/11/75/79/885117579.db2.gz BUWOGEFYCTXZTQ-ZYHUDNBSSA-N 1 0 291.355 -1.255 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001329605998 885119947 /nfs/dbraw/zinc/11/99/47/885119947.db2.gz BMNBSFLVSKWGNC-VIFPVBQESA-N 1 0 266.301 -1.392 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1O ZINC001329646675 885126055 /nfs/dbraw/zinc/12/60/55/885126055.db2.gz JCQWFEJERKBDGQ-IJLUTSLNSA-N 1 0 257.334 -1.068 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC001329701012 885132444 /nfs/dbraw/zinc/13/24/44/885132444.db2.gz DOYTZQFQZCDOHZ-QJPTWQEYSA-N 1 0 257.334 -1.068 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CCN(C)C(=O)C(N)=O)C(C)C ZINC001329749233 885135355 /nfs/dbraw/zinc/13/53/55/885135355.db2.gz GFLUWFRPXDCVHG-NSHDSACASA-N 1 0 296.371 -1.316 20 30 CAEDRO C[C@@H]1C[NH+]=C(NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)N1 ZINC001330022570 885165250 /nfs/dbraw/zinc/16/52/50/885165250.db2.gz XGPXQAVFABYYTP-RKDXNWHRSA-N 1 0 288.373 -1.383 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001330024241 885166259 /nfs/dbraw/zinc/16/62/59/885166259.db2.gz OGSGUHCUSHCWFU-VHSXEESVSA-N 1 0 253.302 -1.381 20 30 CAEDRO C#CCCCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC001330024032 885166424 /nfs/dbraw/zinc/16/64/24/885166424.db2.gz MSTCLCUTNGNYOK-UHFFFAOYSA-N 1 0 255.318 -1.050 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001330058275 885172978 /nfs/dbraw/zinc/17/29/78/885172978.db2.gz WSHXRPHNJMEVKK-GARJFASQSA-N 1 0 265.313 -1.286 20 30 CAEDRO C#CCN1CCO[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001330158708 885180540 /nfs/dbraw/zinc/18/05/40/885180540.db2.gz BPOPVSDHVXTBTG-AWEZNQCLSA-N 1 0 294.355 -1.019 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001330258101 885185493 /nfs/dbraw/zinc/18/54/93/885185493.db2.gz IGKXXSOTKYXRIR-RTCCRHLQSA-N 1 0 260.301 -1.400 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001330380467 885192946 /nfs/dbraw/zinc/19/29/46/885192946.db2.gz FRYFPRHGWQDSAK-QWRGUYRKSA-N 1 0 285.344 -1.120 20 30 CAEDRO N#CCNC(=O)CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001330514743 885199342 /nfs/dbraw/zinc/19/93/42/885199342.db2.gz YXQDRMDHHOJRKI-HTQZYQBOSA-N 1 0 257.269 -1.293 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC001330526504 885201612 /nfs/dbraw/zinc/20/16/12/885201612.db2.gz RGOODYRBIDJJPS-VIFPVBQESA-N 1 0 291.373 -1.573 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001330567578 885207710 /nfs/dbraw/zinc/20/77/10/885207710.db2.gz JLPUKJPUMZMQMQ-AXFHLTTASA-N 1 0 278.312 -1.300 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001330600321 885210573 /nfs/dbraw/zinc/21/05/73/885210573.db2.gz ASZGRTVRROTBLB-IQLKVPPVSA-N 1 0 277.324 -1.203 20 30 CAEDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001330593769 885212525 /nfs/dbraw/zinc/21/25/25/885212525.db2.gz CYEAUMNAHUPPLO-SECBINFHSA-N 1 0 268.317 -1.067 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001330707390 885224929 /nfs/dbraw/zinc/22/49/29/885224929.db2.gz BIOHAWHDAXBEQY-MGCOHNPYSA-N 1 0 290.327 -1.505 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1C1CC1 ZINC001330868322 885237664 /nfs/dbraw/zinc/23/76/64/885237664.db2.gz ZDIIBQQQOAFBJE-ZYHUDNBSSA-N 1 0 291.355 -1.337 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1C1CC1 ZINC001330868321 885239069 /nfs/dbraw/zinc/23/90/69/885239069.db2.gz ZDIIBQQQOAFBJE-PWSUYJOCSA-N 1 0 291.355 -1.337 20 30 CAEDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001330859560 885239433 /nfs/dbraw/zinc/23/94/33/885239433.db2.gz IXAVMMHZDZNFJT-IUCAKERBSA-N 1 0 254.290 -1.409 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001331141466 885251426 /nfs/dbraw/zinc/25/14/26/885251426.db2.gz UKLIACPXNOGLQA-UWVGGRQHSA-N 1 0 253.302 -1.300 20 30 CAEDRO N#CC1(NC(=O)CN2CC[C@@H](O)[C@@H](O)C2)CCC1 ZINC001331143823 885251783 /nfs/dbraw/zinc/25/17/83/885251783.db2.gz HWGIMYUZLVWJJB-ZJUUUORDSA-N 1 0 253.302 -1.024 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001331139147 885251877 /nfs/dbraw/zinc/25/18/77/885251877.db2.gz GGRJHRHUJHUYSN-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001331139146 885254796 /nfs/dbraw/zinc/25/47/96/885254796.db2.gz GGRJHRHUJHUYSN-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCNC1=O ZINC001331237096 885267214 /nfs/dbraw/zinc/26/72/14/885267214.db2.gz MIRQEWQMVCMYBK-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC001331254770 885268193 /nfs/dbraw/zinc/26/81/93/885268193.db2.gz PXCRQDZXHDIJPU-GFCCVEGCSA-N 1 0 284.356 -1.040 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001331377580 885274494 /nfs/dbraw/zinc/27/44/94/885274494.db2.gz RWJPWSBMKWPFOS-ZJUUUORDSA-N 1 0 297.359 -1.413 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001331490877 885279298 /nfs/dbraw/zinc/27/92/98/885279298.db2.gz QVRXUPARIQUVAM-SNVBAGLBSA-N 1 0 282.344 -1.692 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC001331488733 885280191 /nfs/dbraw/zinc/28/01/91/885280191.db2.gz PQPVEAICGXKIPN-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001331546586 885286238 /nfs/dbraw/zinc/28/62/38/885286238.db2.gz YBFULDZNHOSJED-ZETCQYMHSA-N 1 0 255.278 -2.452 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001331576021 885290310 /nfs/dbraw/zinc/29/03/10/885290310.db2.gz LDQUZKNSLIVZAU-JTQLQIEISA-N 1 0 292.339 -1.233 20 30 CAEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001331588510 885291520 /nfs/dbraw/zinc/29/15/20/885291520.db2.gz JCIDSJRWWBUUCO-CMPLNLGQSA-N 1 0 293.371 -1.043 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)COC ZINC001331661761 885298184 /nfs/dbraw/zinc/29/81/84/885298184.db2.gz DOHGCNXQQLVNDT-NXEZZACHSA-N 1 0 271.317 -2.163 20 30 CAEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001331643308 885300314 /nfs/dbraw/zinc/30/03/14/885300314.db2.gz HILUEFHXWGHRJU-VIFPVBQESA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)COC ZINC001331661762 885301706 /nfs/dbraw/zinc/30/17/06/885301706.db2.gz DOHGCNXQQLVNDT-UWVGGRQHSA-N 1 0 271.317 -2.163 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)F ZINC001331663086 885303080 /nfs/dbraw/zinc/30/30/80/885303080.db2.gz ISWVFCJXOLEKCA-VIFPVBQESA-N 1 0 273.308 -1.449 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN1CCCC1=O ZINC001331670443 885304626 /nfs/dbraw/zinc/30/46/26/885304626.db2.gz YSTDFJYKQGWWMT-JTQLQIEISA-N 1 0 253.302 -1.691 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CCOCC1 ZINC001331664306 885306541 /nfs/dbraw/zinc/30/65/41/885306541.db2.gz MHWNOOKDXULARJ-LBPRGKRZSA-N 1 0 297.355 -1.771 20 30 CAEDRO Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)o1 ZINC001331670596 885306711 /nfs/dbraw/zinc/30/67/11/885306711.db2.gz ZMFQJEMZAQKLAJ-JTQLQIEISA-N 1 0 294.311 -1.092 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001331667059 885306923 /nfs/dbraw/zinc/30/69/23/885306923.db2.gz PFAFXMHJJLZZEZ-QMMMGPOBSA-N 1 0 250.258 -1.504 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001331680605 885307437 /nfs/dbraw/zinc/30/74/37/885307437.db2.gz BMIYKVLFHAKHJC-IUCAKERBSA-N 1 0 297.315 -2.235 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001331686084 885307739 /nfs/dbraw/zinc/30/77/39/885307739.db2.gz ULZUTYXVEORMPA-VIFPVBQESA-N 1 0 264.347 -1.326 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001331680607 885309415 /nfs/dbraw/zinc/30/94/15/885309415.db2.gz BMIYKVLFHAKHJC-RKDXNWHRSA-N 1 0 297.315 -2.235 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001331683583 885310496 /nfs/dbraw/zinc/31/04/96/885310496.db2.gz LZAZAUYRKFDWKF-QWRGUYRKSA-N 1 0 256.302 -1.508 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]ccc1C ZINC001331702920 885315558 /nfs/dbraw/zinc/31/55/58/885315558.db2.gz APDUYARXYJWBNN-LLVKDONJSA-N 1 0 292.339 -1.247 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001331694539 885315771 /nfs/dbraw/zinc/31/57/71/885315771.db2.gz CRJCWVDTGVJUHN-NSHDSACASA-N 1 0 257.334 -1.429 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001331695395 885315923 /nfs/dbraw/zinc/31/59/23/885315923.db2.gz HIWUSSHPRWVUEP-RYUDHWBXSA-N 1 0 299.371 -1.076 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001331704421 885318297 /nfs/dbraw/zinc/31/82/97/885318297.db2.gz FZIUGHCHIOXYLF-UWVGGRQHSA-N 1 0 255.318 -1.270 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001331712783 885320620 /nfs/dbraw/zinc/32/06/20/885320620.db2.gz SNPLJQINADYJHS-ZJUUUORDSA-N 1 0 298.343 -1.704 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001331724544 885321508 /nfs/dbraw/zinc/32/15/08/885321508.db2.gz GJKNKHXKZDRCJV-JTQLQIEISA-N 1 0 278.312 -1.021 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001331725211 885322179 /nfs/dbraw/zinc/32/21/79/885322179.db2.gz NHUQVCRJCWUWKS-MNOVXSKESA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001331725034 885323703 /nfs/dbraw/zinc/32/37/03/885323703.db2.gz JQEYEJOLVDCKBQ-STQMWFEESA-N 1 0 283.372 -1.467 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001331723079 885323546 /nfs/dbraw/zinc/32/35/46/885323546.db2.gz ACHHWZNYJMFVGW-SECBINFHSA-N 1 0 262.331 -1.716 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001331724061 885324318 /nfs/dbraw/zinc/32/43/18/885324318.db2.gz BVUJITKQOJWIIZ-NWDGAFQWSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1=O ZINC001331724649 885324873 /nfs/dbraw/zinc/32/48/73/885324873.db2.gz HHFIFONLKLIDCD-SNVBAGLBSA-N 1 0 271.317 -1.902 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001331738728 885326822 /nfs/dbraw/zinc/32/68/22/885326822.db2.gz ICOMZZYBIDGUFI-RKDXNWHRSA-N 1 0 262.331 -1.881 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1CCCS1(=O)=O ZINC001331727211 885327267 /nfs/dbraw/zinc/32/72/67/885327267.db2.gz WOZFCGZCNIHZLY-JTQLQIEISA-N 1 0 291.373 -1.725 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CNC(=O)NC ZINC001331727423 885328099 /nfs/dbraw/zinc/32/80/99/885328099.db2.gz YRYJXPFDSOMKLM-VIFPVBQESA-N 1 0 258.322 -1.442 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001331738711 885328525 /nfs/dbraw/zinc/32/85/25/885328525.db2.gz ICOMZZYBIDGUFI-BDAKNGLRSA-N 1 0 262.331 -1.881 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001331726888 885328761 /nfs/dbraw/zinc/32/87/61/885328761.db2.gz WKYVDZFRCVZXQC-JTQLQIEISA-N 1 0 288.311 -1.172 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(OC)n(C)n1 ZINC001331740212 885330994 /nfs/dbraw/zinc/33/09/94/885330994.db2.gz PFHGHQBKRPWQSG-SECBINFHSA-N 1 0 266.301 -1.258 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001331742216 885332504 /nfs/dbraw/zinc/33/25/04/885332504.db2.gz YAHGAIYZNPXJLC-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCN1CC ZINC001331741960 885332588 /nfs/dbraw/zinc/33/25/88/885332588.db2.gz ZFUTZSHKUSKIBP-OLZOCXBDSA-N 1 0 283.372 -1.203 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)cc1 ZINC001331759827 885334973 /nfs/dbraw/zinc/33/49/73/885334973.db2.gz VXEWISOVBUPDJJ-LBPRGKRZSA-N 1 0 275.308 -1.167 20 30 CAEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001331754116 885335711 /nfs/dbraw/zinc/33/57/11/885335711.db2.gz NXEGCMBPOSSXDN-GARJFASQSA-N 1 0 280.328 -1.006 20 30 CAEDRO CC1(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CC1 ZINC001331758740 885336274 /nfs/dbraw/zinc/33/62/74/885336274.db2.gz NKIQIYUWEMCYJB-JTQLQIEISA-N 1 0 282.344 -1.117 20 30 CAEDRO CC1(CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CC1 ZINC001331758743 885336987 /nfs/dbraw/zinc/33/69/87/885336987.db2.gz NKIQIYUWEMCYJB-SNVBAGLBSA-N 1 0 282.344 -1.117 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001331775811 885343657 /nfs/dbraw/zinc/34/36/57/885343657.db2.gz UYYQCBAKWMFGNU-IUCAKERBSA-N 1 0 256.306 -1.689 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001331775810 885345396 /nfs/dbraw/zinc/34/53/96/885345396.db2.gz UYYQCBAKWMFGNU-DTWKUNHWSA-N 1 0 256.306 -1.689 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001331773942 885345654 /nfs/dbraw/zinc/34/56/54/885345654.db2.gz JEZMBAQXBCBRIJ-JTQLQIEISA-N 1 0 294.311 -1.900 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001331773943 885347151 /nfs/dbraw/zinc/34/71/51/885347151.db2.gz JEZMBAQXBCBRIJ-SNVBAGLBSA-N 1 0 294.311 -1.900 20 30 CAEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331792251 885349049 /nfs/dbraw/zinc/34/90/49/885349049.db2.gz ZWSJQANCGBZUFG-ZJUUUORDSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O)nc1 ZINC001331825795 885349977 /nfs/dbraw/zinc/34/99/77/885349977.db2.gz RIGLWEOHGBQZNF-ONGXEEELSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001331820118 885350046 /nfs/dbraw/zinc/35/00/46/885350046.db2.gz QHYYVPQORQIMCY-VIFPVBQESA-N 1 0 261.285 -1.024 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)nn1 ZINC001331806509 885350161 /nfs/dbraw/zinc/35/01/61/885350161.db2.gz XRJWQFXWUNVPPU-SECBINFHSA-N 1 0 296.331 -2.110 20 30 CAEDRO C=CCC1(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CCOCC1 ZINC001331818232 885350836 /nfs/dbraw/zinc/35/08/36/885350836.db2.gz FMEXAFUROGOOBJ-LLVKDONJSA-N 1 0 299.371 -1.089 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001331817798 885351395 /nfs/dbraw/zinc/35/13/95/885351395.db2.gz ACIWJTGVSRAWCZ-SECBINFHSA-N 1 0 282.300 -2.420 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1[nH]cnc1C ZINC001331817908 885352396 /nfs/dbraw/zinc/35/23/96/885352396.db2.gz BQNZEIZWZULCNV-LBPRGKRZSA-N 1 0 294.355 -1.023 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CC(=O)NCC(F)(F)F ZINC001331806544 885352601 /nfs/dbraw/zinc/35/26/01/885352601.db2.gz WVJHVLGOAHSXPD-MRVPVSSYSA-N 1 0 295.261 -1.245 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001331836064 885354883 /nfs/dbraw/zinc/35/48/83/885354883.db2.gz OHUHZHFNBDTQSS-ZDUSSCGKSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1C ZINC001331926725 885362727 /nfs/dbraw/zinc/36/27/27/885362727.db2.gz NQVMBBJOFRXZIY-NXEZZACHSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H]1C ZINC001331898747 885366077 /nfs/dbraw/zinc/36/60/77/885366077.db2.gz YFWYGAGYPWBCFX-ZYHUDNBSSA-N 1 0 294.355 -1.549 20 30 CAEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn[nH]n1 ZINC001331902565 885366457 /nfs/dbraw/zinc/36/64/57/885366457.db2.gz KMWPRACWIHBHPZ-RKDXNWHRSA-N 1 0 291.315 -1.363 20 30 CAEDRO CCOC(=O)CC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001331973520 885369620 /nfs/dbraw/zinc/36/96/20/885369620.db2.gz WRYIECUVWKJAEK-SECBINFHSA-N 1 0 257.290 -1.080 20 30 CAEDRO COC[C@H](C)OC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001331970143 885368902 /nfs/dbraw/zinc/36/89/02/885368902.db2.gz HDRSENNBNFJGMH-UWVGGRQHSA-N 1 0 259.306 -1.372 20 30 CAEDRO CCOC(=O)CC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001331973521 885370355 /nfs/dbraw/zinc/37/03/55/885370355.db2.gz WRYIECUVWKJAEK-VIFPVBQESA-N 1 0 257.290 -1.080 20 30 CAEDRO CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H]1[NH3+] ZINC001332000752 885373337 /nfs/dbraw/zinc/37/33/37/885373337.db2.gz MLLJODDQTIWXPR-ZJUUUORDSA-N 1 0 280.328 -1.067 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)[C@@H](C[NH3+])C1 ZINC001331980266 885373614 /nfs/dbraw/zinc/37/36/14/885373614.db2.gz GUYNYUYPRSYPHE-NEPJUHHUSA-N 1 0 293.371 -1.150 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCN1C1CC1 ZINC001332115187 885377462 /nfs/dbraw/zinc/37/74/62/885377462.db2.gz BUWOGEFYCTXZTQ-JQWIXIFHSA-N 1 0 291.355 -1.255 20 30 CAEDRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC001332155643 885383887 /nfs/dbraw/zinc/38/38/87/885383887.db2.gz BJDWQWGMDQKACD-JTQLQIEISA-N 1 0 291.311 -1.070 20 30 CAEDRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC001332155644 885386619 /nfs/dbraw/zinc/38/66/19/885386619.db2.gz BJDWQWGMDQKACD-SNVBAGLBSA-N 1 0 291.311 -1.070 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001332416775 885406826 /nfs/dbraw/zinc/40/68/26/885406826.db2.gz IWCCIZIVZSLQLM-IJLUTSLNSA-N 1 0 279.340 -1.100 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCO1 ZINC001332462943 885410494 /nfs/dbraw/zinc/41/04/94/885410494.db2.gz SMJYDBQYHKZJHH-VHSXEESVSA-N 1 0 266.301 -1.313 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001332434898 885411378 /nfs/dbraw/zinc/41/13/78/885411378.db2.gz XLYICLYLEIAOHC-YNEHKIRRSA-N 1 0 291.351 -1.085 20 30 CAEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CSCC#N)C(N)=O ZINC001332474107 885413703 /nfs/dbraw/zinc/41/37/03/885413703.db2.gz AZPLYJTYLGZMMC-RKDXNWHRSA-N 1 0 288.373 -1.474 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001332488368 885413849 /nfs/dbraw/zinc/41/38/49/885413849.db2.gz DTQYSANMVYTILF-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2nnnc2c1 ZINC001332551085 885418669 /nfs/dbraw/zinc/41/86/69/885418669.db2.gz JBOOSEVADGYXMQ-LLVKDONJSA-N 1 0 288.311 -1.220 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001332549742 885418886 /nfs/dbraw/zinc/41/88/86/885418886.db2.gz CZRXUYPTEDSXBZ-MRVPVSSYSA-N 1 0 254.294 -1.581 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)C1=O ZINC001332560869 885421505 /nfs/dbraw/zinc/42/15/05/885421505.db2.gz LWPYLTGMCUXZHO-VHSXEESVSA-N 1 0 298.343 -2.333 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccoc1CC(N)=O ZINC001332561877 885421623 /nfs/dbraw/zinc/42/16/23/885421623.db2.gz RQLFBWLCBUBCCM-SNVBAGLBSA-N 1 0 293.323 -1.037 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)C1=O ZINC001332560868 885421643 /nfs/dbraw/zinc/42/16/43/885421643.db2.gz LWPYLTGMCUXZHO-UWVGGRQHSA-N 1 0 298.343 -2.333 20 30 CAEDRO CN(C[C@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)C(N)=O ZINC001332560700 885421709 /nfs/dbraw/zinc/42/17/09/885421709.db2.gz KKBDOFVCZSEGST-GFCCVEGCSA-N 1 0 290.323 -1.048 20 30 CAEDRO CN1CC[N@H+](C)CC(C(=O)N2CC(O)(CC#N)C2)C1 ZINC001332559428 885421748 /nfs/dbraw/zinc/42/17/48/885421748.db2.gz WSXIMOGFEASBDN-UHFFFAOYSA-N 1 0 266.345 -1.033 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001332562140 885421863 /nfs/dbraw/zinc/42/18/63/885421863.db2.gz STOGOSMKEYWHSN-QWRGUYRKSA-N 1 0 298.343 -2.274 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(C)=O ZINC001332617630 885426595 /nfs/dbraw/zinc/42/65/95/885426595.db2.gz VJPYLDVPSDFLNI-LLVKDONJSA-N 1 0 255.318 -1.493 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001332602434 885426749 /nfs/dbraw/zinc/42/67/49/885426749.db2.gz PPDAHRSGYGWKRQ-JTQLQIEISA-N 1 0 278.312 -1.564 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(C)=O ZINC001332617632 885426978 /nfs/dbraw/zinc/42/69/78/885426978.db2.gz VJPYLDVPSDFLNI-NSHDSACASA-N 1 0 255.318 -1.493 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001332608776 885427273 /nfs/dbraw/zinc/42/72/73/885427273.db2.gz YQZIRBDRMJDSTG-LLVKDONJSA-N 1 0 294.355 -1.230 20 30 CAEDRO N#Cc1ncn(CC(=O)NCCCN2CC[NH2+]CC2)n1 ZINC001332709798 885435979 /nfs/dbraw/zinc/43/59/79/885435979.db2.gz KKMYFMVLGBKNGX-UHFFFAOYSA-N 1 0 277.332 -1.439 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC001332729216 885436662 /nfs/dbraw/zinc/43/66/62/885436662.db2.gz PNNCQSMDECHLNP-UHFFFAOYSA-N 1 0 295.383 -1.105 20 30 CAEDRO C#CCNC(=O)CN1CCN(C[C@@H](O)COCC)CC1 ZINC001332842975 885442622 /nfs/dbraw/zinc/44/26/22/885442622.db2.gz OKZZOPXEUJEWFR-CYBMUJFWSA-N 1 0 283.372 -1.249 20 30 CAEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001332892260 885445735 /nfs/dbraw/zinc/44/57/35/885445735.db2.gz GKKBWJCJLAXHFI-CYBMUJFWSA-N 1 0 297.334 -1.528 20 30 CAEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001332892263 885446410 /nfs/dbraw/zinc/44/64/10/885446410.db2.gz GKKBWJCJLAXHFI-ZDUSSCGKSA-N 1 0 297.334 -1.528 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001332891366 885447245 /nfs/dbraw/zinc/44/72/45/885447245.db2.gz AXWRHGXDBBVHDC-SMDDNHRTSA-N 1 0 295.339 -1.841 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CCO1 ZINC001332880664 885447930 /nfs/dbraw/zinc/44/79/30/885447930.db2.gz IWNHQYFDZQXDQR-LLVKDONJSA-N 1 0 295.343 -2.241 20 30 CAEDRO CN1CC[NH+]=C1NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001333041183 885454138 /nfs/dbraw/zinc/45/41/38/885454138.db2.gz WSYLAJZLMYSODM-VIFPVBQESA-N 1 0 288.373 -1.429 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001333615956 885497190 /nfs/dbraw/zinc/49/71/90/885497190.db2.gz JDBVBJKYZGPJMM-UHFFFAOYSA-N 1 0 252.318 -1.901 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)CCOCC[NH2+]CC(N)=O ZINC001333204643 885464841 /nfs/dbraw/zinc/46/48/41/885464841.db2.gz BLCSNCXCABEHMC-SECBINFHSA-N 1 0 256.306 -1.304 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001333426104 885479889 /nfs/dbraw/zinc/47/98/89/885479889.db2.gz RXLYSYQIXXCMEH-UHFFFAOYSA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001333535919 885487004 /nfs/dbraw/zinc/48/70/04/885487004.db2.gz PDAOWDRDLIUWLT-VIFPVBQESA-N 1 0 255.343 -1.053 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1 ZINC001333596090 885492735 /nfs/dbraw/zinc/49/27/35/885492735.db2.gz LUBHIKURFXNKMM-WDEREUQCSA-N 1 0 280.328 -1.065 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CCN1C1CC1 ZINC001333613816 885496208 /nfs/dbraw/zinc/49/62/08/885496208.db2.gz HZMVTDPPWRWKSZ-LLVKDONJSA-N 1 0 277.328 -1.727 20 30 CAEDRO O=C(C#CC1CC[NH2+]CC1)NCCN1C(=O)CNC1=O ZINC001333629111 885496368 /nfs/dbraw/zinc/49/63/68/885496368.db2.gz HQENSINTKZRVAV-UHFFFAOYSA-N 1 0 278.312 -1.343 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CCN1C1CC1 ZINC001333613817 885496751 /nfs/dbraw/zinc/49/67/51/885496751.db2.gz HZMVTDPPWRWKSZ-NSHDSACASA-N 1 0 277.328 -1.727 20 30 CAEDRO C[NH+]1CCC(C#N)(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001333956961 885513456 /nfs/dbraw/zinc/51/34/56/885513456.db2.gz TZUKFPTXCYQNGI-IJLUTSLNSA-N 1 0 295.339 -1.497 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333942323 885514247 /nfs/dbraw/zinc/51/42/47/885514247.db2.gz FCHVWIGIHDKGAS-MGCOHNPYSA-N 1 0 253.302 -1.394 20 30 CAEDRO C#CCN1CCC[C@H](NC(=O)C(=O)N=c2nc[nH]n2C)C1 ZINC001334180748 885529658 /nfs/dbraw/zinc/52/96/58/885529658.db2.gz UCYJVNOZNXQDRM-JTQLQIEISA-N 1 0 290.327 -1.611 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@H]1[NH3+] ZINC001334757740 885561850 /nfs/dbraw/zinc/56/18/50/885561850.db2.gz QZXKAUOEKYIHMQ-GIPNMCIBSA-N 1 0 280.328 -1.067 20 30 CAEDRO C=CCCOCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001335168047 885587035 /nfs/dbraw/zinc/58/70/35/885587035.db2.gz HAZZINUBGZHPMG-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001335188356 885590816 /nfs/dbraw/zinc/59/08/16/885590816.db2.gz RMLPXCSQKWQMRN-NSHDSACASA-N 1 0 299.396 -1.084 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001335222459 885596211 /nfs/dbraw/zinc/59/62/11/885596211.db2.gz NCZMZWPAOYCILZ-OUAUKWLOSA-N 1 0 265.313 -1.239 20 30 CAEDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001335251978 885600278 /nfs/dbraw/zinc/60/02/78/885600278.db2.gz IZIWNPARPGXQFN-UWVGGRQHSA-N 1 0 280.328 -1.148 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC001335274920 885603418 /nfs/dbraw/zinc/60/34/18/885603418.db2.gz AWMPJHIBKONWEV-VHSXEESVSA-N 1 0 282.300 -2.158 20 30 CAEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335282119 885606147 /nfs/dbraw/zinc/60/61/47/885606147.db2.gz RXXLEWRJCLMHHA-GFCCVEGCSA-N 1 0 293.371 -1.230 20 30 CAEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001335380087 885615257 /nfs/dbraw/zinc/61/52/57/885615257.db2.gz QTDGMJGHDAODOE-GFCCVEGCSA-N 1 0 286.307 -1.116 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1OC ZINC001335430015 885619218 /nfs/dbraw/zinc/61/92/18/885619218.db2.gz JGAJVSGXANDDHG-VHSXEESVSA-N 1 0 274.342 -1.473 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC001335430017 885621152 /nfs/dbraw/zinc/62/11/52/885621152.db2.gz JGAJVSGXANDDHG-ZJUUUORDSA-N 1 0 274.342 -1.473 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335758024 885633700 /nfs/dbraw/zinc/63/37/00/885633700.db2.gz INWIEKMQHCISNK-NWDGAFQWSA-N 1 0 279.340 -1.180 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCO1 ZINC001336300440 885656719 /nfs/dbraw/zinc/65/67/19/885656719.db2.gz NEQQVCTXRKZUCI-MFKMUULPSA-N 1 0 280.328 -1.065 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001336528099 885663101 /nfs/dbraw/zinc/66/31/01/885663101.db2.gz XFYAKTHNXBBJLO-VIFPVBQESA-N 1 0 251.286 -1.280 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001336625817 885671185 /nfs/dbraw/zinc/67/11/85/885671185.db2.gz BANKLSPPDXGJOG-MGCOHNPYSA-N 1 0 253.302 -1.394 20 30 CAEDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001336607217 885671760 /nfs/dbraw/zinc/67/17/60/885671760.db2.gz XKVOCDIIMIDSFM-VWYCJHECSA-N 1 0 280.328 -1.291 20 30 CAEDRO C#CCCCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001336628350 885671974 /nfs/dbraw/zinc/67/19/74/885671974.db2.gz SFNGSIFBPXYUJM-CYBMUJFWSA-N 1 0 267.329 -1.172 20 30 CAEDRO C#CCCCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001336628353 885672590 /nfs/dbraw/zinc/67/25/90/885672590.db2.gz SFNGSIFBPXYUJM-ZDUSSCGKSA-N 1 0 267.329 -1.172 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336650151 885675989 /nfs/dbraw/zinc/67/59/89/885675989.db2.gz QOVHMKLLFYDURP-NOOOWODRSA-N 1 0 277.324 -1.144 20 30 CAEDRO O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001336741054 885681157 /nfs/dbraw/zinc/68/11/57/885681157.db2.gz AOYSQKYGIBUUJZ-NEPJUHHUSA-N 1 0 252.314 -1.057 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@]1(O)CCOC1 ZINC001336793200 885684007 /nfs/dbraw/zinc/68/40/07/885684007.db2.gz ANYHEKSZPBUCHL-NWDGAFQWSA-N 1 0 257.334 -1.066 20 30 CAEDRO C[NH2+]CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001337471299 885701710 /nfs/dbraw/zinc/70/17/10/885701710.db2.gz NRTSTGBZBNRXAT-LLVKDONJSA-N 1 0 279.344 -1.479 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337533019 885709015 /nfs/dbraw/zinc/70/90/15/885709015.db2.gz VWZQCSGPMZVSFT-DCAQKATOSA-N 1 0 265.313 -1.300 20 30 CAEDRO C[C@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)CC[NH2+]1 ZINC001337849415 885725383 /nfs/dbraw/zinc/72/53/83/885725383.db2.gz GGTGCYPCQSFBCJ-GXFFZTMASA-N 1 0 280.328 -1.052 20 30 CAEDRO COC(=O)C[C@@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC001338038772 885731736 /nfs/dbraw/zinc/73/17/36/885731736.db2.gz NRMKXNNKYFEUJR-NSHDSACASA-N 1 0 255.274 -1.062 20 30 CAEDRO COC(=O)C[C@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC001338038771 885732319 /nfs/dbraw/zinc/73/23/19/885732319.db2.gz NRMKXNNKYFEUJR-LLVKDONJSA-N 1 0 255.274 -1.062 20 30 CAEDRO C#CCCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001338279910 885735085 /nfs/dbraw/zinc/73/50/85/885735085.db2.gz NPWLNWUOJWSFNL-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO CN1CCO[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001340134275 885794046 /nfs/dbraw/zinc/79/40/46/885794046.db2.gz OTAYJQLEKANSQR-DJLDLDEBSA-N 1 0 252.274 -1.929 20 30 CAEDRO CN1CCO[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001340134278 885794976 /nfs/dbraw/zinc/79/49/76/885794976.db2.gz OTAYJQLEKANSQR-XHNCKOQMSA-N 1 0 252.274 -1.929 20 30 CAEDRO CN1CCO[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001340134277 885795186 /nfs/dbraw/zinc/79/51/86/885795186.db2.gz OTAYJQLEKANSQR-IWSPIJDZSA-N 1 0 252.274 -1.929 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340215378 885798722 /nfs/dbraw/zinc/79/87/22/885798722.db2.gz JPOYGAHXXZWQDG-VIFPVBQESA-N 1 0 280.328 -1.775 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001340415620 885803074 /nfs/dbraw/zinc/80/30/74/885803074.db2.gz GZUCAOALMFKWRM-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001340736625 885812011 /nfs/dbraw/zinc/81/20/11/885812011.db2.gz SPIBYYCRTZQSRG-SNVBAGLBSA-N 1 0 289.357 -2.014 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC001341673618 885852891 /nfs/dbraw/zinc/85/28/91/885852891.db2.gz HZGCKDUMFVZZHS-JTQLQIEISA-N 1 0 253.302 -1.427 20 30 CAEDRO C[N@H+](CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)C1CC1 ZINC001340913333 885819762 /nfs/dbraw/zinc/81/97/62/885819762.db2.gz WRWUESJFDKKUEZ-LLVKDONJSA-N 1 0 280.328 -1.052 20 30 CAEDRO C[N@H+](CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C1CC1 ZINC001340913337 885821068 /nfs/dbraw/zinc/82/10/68/885821068.db2.gz WRWUESJFDKKUEZ-NSHDSACASA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001341530833 885845043 /nfs/dbraw/zinc/84/50/43/885845043.db2.gz YNPYPYIXRRPFQG-ZDUSSCGKSA-N 1 0 281.312 -2.047 20 30 CAEDRO COC[C@@H]1C[NH2+]CCN1C(=O)Cn1cnc(C#N)n1 ZINC001341640073 885849402 /nfs/dbraw/zinc/84/94/02/885849402.db2.gz GSJHBWOPKQMQRU-VIFPVBQESA-N 1 0 264.289 -1.403 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CSCC(=O)N1 ZINC001341644459 885850896 /nfs/dbraw/zinc/85/08/96/885850896.db2.gz SQFFGMFLRGEHCW-RNJXMRFFSA-N 1 0 254.315 -1.554 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCOC[C@H]1CNC(=O)NC ZINC001342292555 885879596 /nfs/dbraw/zinc/87/95/96/885879596.db2.gz XZIYHTPVWXCXPF-SNVBAGLBSA-N 1 0 268.317 -1.634 20 30 CAEDRO C#CC[NH2+]CC(=O)NCC[C@@H]1CNCCS1(=O)=O ZINC001342432384 885886880 /nfs/dbraw/zinc/88/68/80/885886880.db2.gz VCOZQYLLQXKTIO-SNVBAGLBSA-N 1 0 273.358 -1.898 20 30 CAEDRO C[C@H]1CN=C(NN=Cc2nccn2S(=O)(=O)N(C)C)N1 ZINC001343881547 885927903 /nfs/dbraw/zinc/92/79/03/885927903.db2.gz IIZXJXQVCUMVKZ-QMMMGPOBSA-N 1 0 299.360 -1.191 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001344031336 885932552 /nfs/dbraw/zinc/93/25/52/885932552.db2.gz FVUKLIDUESAISQ-AXFHLTTASA-N 1 0 286.353 -1.520 20 30 CAEDRO C=CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001344058664 885933039 /nfs/dbraw/zinc/93/30/39/885933039.db2.gz SZKGWAZMCJCNMH-JQWIXIFHSA-N 1 0 288.369 -1.061 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC001344128773 885937408 /nfs/dbraw/zinc/93/74/08/885937408.db2.gz VZINRKNXLGEFHY-SNVBAGLBSA-N 1 0 268.317 -1.634 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001345167904 885958425 /nfs/dbraw/zinc/95/84/25/885958425.db2.gz HALIEHYBDBKAOE-LLVKDONJSA-N 1 0 298.412 -1.430 20 30 CAEDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001345754148 885970851 /nfs/dbraw/zinc/97/08/51/885970851.db2.gz XODKCOCBWVTMAM-KCFBSYFESA-N 1 0 264.285 -1.024 20 30 CAEDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001345754149 885970914 /nfs/dbraw/zinc/97/09/14/885970914.db2.gz XODKCOCBWVTMAM-YEYJRPIDSA-N 1 0 264.285 -1.024 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001345928907 885972590 /nfs/dbraw/zinc/97/25/90/885972590.db2.gz YREUAQNTCDMCLG-UHFFFAOYSA-N 1 0 296.371 -1.708 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001345831577 885972896 /nfs/dbraw/zinc/97/28/96/885972896.db2.gz XDGYHQRLEGKKIQ-RNFRBKRXSA-N 1 0 251.246 -2.234 20 30 CAEDRO N#CCC1(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001345898707 885973079 /nfs/dbraw/zinc/97/30/79/885973079.db2.gz CHAIGTHMKPRQNP-UHFFFAOYSA-N 1 0 293.371 -1.182 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 ZINC001345987699 885977012 /nfs/dbraw/zinc/97/70/12/885977012.db2.gz FRAXKPUHDSPMPP-ZDUSSCGKSA-N 1 0 280.328 -1.363 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)Cn1ccnn1 ZINC001345957683 885978700 /nfs/dbraw/zinc/97/87/00/885978700.db2.gz YYMWSYMKFMEIDE-JTQLQIEISA-N 1 0 251.290 -1.632 20 30 CAEDRO CN1CC(=O)N(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001346047382 885985569 /nfs/dbraw/zinc/98/55/69/885985569.db2.gz RSYLVFNVWOAAEV-JGVFFNPUSA-N 1 0 265.273 -1.892 20 30 CAEDRO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001346047809 885985907 /nfs/dbraw/zinc/98/59/07/885985907.db2.gz WFYZTKRUFLBLEX-QWRGUYRKSA-N 1 0 295.343 -1.753 20 30 CAEDRO N#CCNC(=O)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC001346508111 886010148 /nfs/dbraw/zinc/01/01/48/886010148.db2.gz ZHXSGPNEFFEBOZ-YFKPBYRVSA-N 1 0 267.211 -1.185 20 30 CAEDRO C#CC[NH2+]CC(=O)NCc1cn(CC)c(=O)[nH]c1=O ZINC001346581796 886012032 /nfs/dbraw/zinc/01/20/32/886012032.db2.gz DKMQXUHQFZBRIG-UHFFFAOYSA-N 1 0 264.285 -1.192 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001347085764 886025547 /nfs/dbraw/zinc/02/55/47/886025547.db2.gz LQDZAHXNSOKGIA-NSHDSACASA-N 1 0 285.344 -1.119 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)nn1 ZINC001347074932 886027548 /nfs/dbraw/zinc/02/75/48/886027548.db2.gz ZVKQRGSPKUDHFC-VIFPVBQESA-N 1 0 278.316 -1.442 20 30 CAEDRO N#CCNC(=O)CNC(=O)NCCOCCC[NH3+] ZINC001348305387 886066946 /nfs/dbraw/zinc/06/69/46/886066946.db2.gz DLFRAMMOTAXEDM-UHFFFAOYSA-N 1 0 257.294 -1.709 20 30 CAEDRO C=C(CO)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001348715419 886101039 /nfs/dbraw/zinc/10/10/39/886101039.db2.gz WHOYQGHUGYRZHI-GFCCVEGCSA-N 1 0 299.371 -1.170 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001348715598 886101192 /nfs/dbraw/zinc/10/11/92/886101192.db2.gz YJSHMSKXPIRPKA-AXFHLTTASA-N 1 0 263.297 -1.580 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)C[NH3+])nn1 ZINC001348950108 886109316 /nfs/dbraw/zinc/10/93/16/886109316.db2.gz BJNNXAHRSYYQLV-QMMMGPOBSA-N 1 0 266.305 -1.456 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001349169581 886116646 /nfs/dbraw/zinc/11/66/46/886116646.db2.gz ODYADWWBIGKLII-IWSPIJDZSA-N 1 0 257.315 -1.351 20 30 CAEDRO C=C[C@H](COC)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349899132 886153886 /nfs/dbraw/zinc/15/38/86/886153886.db2.gz IUXXBDGPAUFQNE-GRYCIOLGSA-N 1 0 297.355 -1.419 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001349867990 886155367 /nfs/dbraw/zinc/15/53/67/886155367.db2.gz UBEIRMGTNPIKOZ-QJPTWQEYSA-N 1 0 251.330 -1.125 20 30 CAEDRO C=CCC1(O)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC001350033945 886156936 /nfs/dbraw/zinc/15/69/36/886156936.db2.gz YYUNDSLRFGUXRP-UHFFFAOYSA-N 1 0 255.318 -1.009 20 30 CAEDRO C#CCN1CCC[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC001350197430 886161285 /nfs/dbraw/zinc/16/12/85/886161285.db2.gz WQOVIMZZMYQJAO-NSHDSACASA-N 1 0 294.355 -1.595 20 30 CAEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001350395229 886170486 /nfs/dbraw/zinc/17/04/86/886170486.db2.gz VNSJBNMUROSSFB-OPRDCNLKSA-N 1 0 276.358 -1.185 20 30 CAEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001350395227 886171841 /nfs/dbraw/zinc/17/18/41/886171841.db2.gz VNSJBNMUROSSFB-IVZWLZJFSA-N 1 0 276.358 -1.185 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001350966727 886193713 /nfs/dbraw/zinc/19/37/13/886193713.db2.gz ROQCNDDUDIHYOR-GMTAPVOTSA-N 1 0 265.313 -1.347 20 30 CAEDRO CON=CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001351015070 886196911 /nfs/dbraw/zinc/19/69/11/886196911.db2.gz JXPZTZRHDSDJJO-CMPLNLGQSA-N 1 0 271.317 -1.040 20 30 CAEDRO N#C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC001351545432 886210622 /nfs/dbraw/zinc/21/06/22/886210622.db2.gz KMMYRDQAEUJDBV-VHSXEESVSA-N 1 0 254.290 -1.091 20 30 CAEDRO N#C[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC001351545430 886211858 /nfs/dbraw/zinc/21/18/58/886211858.db2.gz KMMYRDQAEUJDBV-UWVGGRQHSA-N 1 0 254.290 -1.091 20 30 CAEDRO N#Cc1ncn(CCNC(=O)NCCOCCC[NH3+])n1 ZINC001351539707 886213261 /nfs/dbraw/zinc/21/32/61/886213261.db2.gz QIUCHNLFHCTDKR-UHFFFAOYSA-N 1 0 281.320 -1.186 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CC[C@H](O)C1 ZINC001351678673 886223345 /nfs/dbraw/zinc/22/33/45/886223345.db2.gz DJVSHSGHETUSFR-STQMWFEESA-N 1 0 270.377 -1.151 20 30 CAEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001351986519 886234522 /nfs/dbraw/zinc/23/45/22/886234522.db2.gz WASBGMUWSZFWIU-KXUCPTDWSA-N 1 0 266.301 -1.315 20 30 CAEDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001351983412 886236993 /nfs/dbraw/zinc/23/69/93/886236993.db2.gz QATPGXPGAGZTKB-NSHDSACASA-N 1 0 279.344 -1.398 20 30 CAEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001351986505 886237472 /nfs/dbraw/zinc/23/74/72/886237472.db2.gz WASBGMUWSZFWIU-BBBLOLIVSA-N 1 0 266.301 -1.315 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001353135007 886261999 /nfs/dbraw/zinc/26/19/99/886261999.db2.gz RUDZEEDUOFRQQZ-UHFFFAOYSA-N 1 0 282.344 -2.226 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001353187057 886267064 /nfs/dbraw/zinc/26/70/64/886267064.db2.gz DVSGLSPVDMYJHM-MNOVXSKESA-N 1 0 279.340 -1.039 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001353187456 886268238 /nfs/dbraw/zinc/26/82/38/886268238.db2.gz GWSDFGIMAASNHK-CHWFTXMASA-N 1 0 278.312 -1.254 20 30 CAEDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001353299274 886269581 /nfs/dbraw/zinc/26/95/81/886269581.db2.gz MJWPBRSYSYHPPO-LBPRGKRZSA-N 1 0 293.371 -1.089 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCCN1C(=O)CNC1=O ZINC001353313437 886274500 /nfs/dbraw/zinc/27/45/00/886274500.db2.gz NWAXZWSAENICOM-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO C#CCNC(=O)CC[NH+]1CCC(O)(COCCO)CC1 ZINC001353353938 886275243 /nfs/dbraw/zinc/27/52/43/886275243.db2.gz MFJVGBLDCNQDIV-UHFFFAOYSA-N 1 0 284.356 -1.038 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC2C[NH2+]C2)CCN1C1CC1 ZINC001353302598 886275542 /nfs/dbraw/zinc/27/55/42/886275542.db2.gz LKHYNVHDQPUHGB-GFCCVEGCSA-N 1 0 291.355 -1.479 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(OCCO)CCOC1 ZINC001353353687 886275600 /nfs/dbraw/zinc/27/56/00/886275600.db2.gz LVEFWUUITMUABI-ZDUSSCGKSA-N 1 0 270.329 -1.117 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001353612838 886284334 /nfs/dbraw/zinc/28/43/34/886284334.db2.gz IEMSRQOBCJEUKE-IUCAKERBSA-N 1 0 251.290 -2.354 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001353612839 886285421 /nfs/dbraw/zinc/28/54/21/886285421.db2.gz IEMSRQOBCJEUKE-RKDXNWHRSA-N 1 0 251.290 -2.354 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001354505397 886314314 /nfs/dbraw/zinc/31/43/14/886314314.db2.gz KKIASOWFJWRBMR-UWVGGRQHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001354505398 886315776 /nfs/dbraw/zinc/31/57/76/886315776.db2.gz KKIASOWFJWRBMR-ZJUUUORDSA-N 1 0 280.328 -1.810 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001354988814 886328912 /nfs/dbraw/zinc/32/89/12/886328912.db2.gz CBKJUURYOBDBGN-LLVKDONJSA-N 1 0 265.313 -1.379 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC2(C1)NC(=O)NC2=O ZINC001355165044 886337355 /nfs/dbraw/zinc/33/73/55/886337355.db2.gz LQDXARILMSHUPM-UHFFFAOYSA-N 1 0 252.274 -1.475 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001355251415 886338015 /nfs/dbraw/zinc/33/80/15/886338015.db2.gz XEZQXEMEUPRQOA-SECBINFHSA-N 1 0 272.330 -2.430 20 30 CAEDRO C#CCNC(=O)CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001355877381 886351926 /nfs/dbraw/zinc/35/19/26/886351926.db2.gz WLWNWJJUQRUVQF-UHFFFAOYSA-N 1 0 296.371 -1.348 20 30 CAEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001356090439 886354053 /nfs/dbraw/zinc/35/40/53/886354053.db2.gz KAHFPAOFHLZWKS-CABZTGNLSA-N 1 0 268.317 -1.067 20 30 CAEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001356090444 886354368 /nfs/dbraw/zinc/35/43/68/886354368.db2.gz KAHFPAOFHLZWKS-SKDRFNHKSA-N 1 0 268.317 -1.067 20 30 CAEDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001356448297 886367614 /nfs/dbraw/zinc/36/76/14/886367614.db2.gz KUTMQCLOVHPMMF-ZYHUDNBSSA-N 1 0 293.371 -1.185 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCNS(=O)(=O)N(C)C ZINC001356629842 886372184 /nfs/dbraw/zinc/37/21/84/886372184.db2.gz SOWGPOZGFLYNGA-UHFFFAOYSA-N 1 0 276.362 -1.889 20 30 CAEDRO C=CCn1cc(C(=O)N2CC[NH2+]C[C@@H]2CO)nn1 ZINC001358030659 886417714 /nfs/dbraw/zinc/41/77/14/886417714.db2.gz XGRTYCCYYAAIAV-SECBINFHSA-N 1 0 251.290 -1.130 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001358296446 886423814 /nfs/dbraw/zinc/42/38/14/886423814.db2.gz NCKTUMBWJDEMCS-PWSUYJOCSA-N 1 0 281.337 -1.394 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC001362282745 886578736 /nfs/dbraw/zinc/57/87/36/886578736.db2.gz GGGDBLSIYZVHPF-SNVBAGLBSA-N 1 0 277.332 -1.488 20 30 CAEDRO C[NH+]1CCN(C2CN(C(=O)Cn3cnc(C#N)n3)C2)CC1 ZINC001362410240 886607844 /nfs/dbraw/zinc/60/78/44/886607844.db2.gz WLTAYFAWRKUPOH-UHFFFAOYSA-N 1 0 289.343 -1.392 20 30 CAEDRO N#Cc1ncn(CC(=O)NC[C@]2(CO)COCCN2)n1 ZINC001363274656 886851149 /nfs/dbraw/zinc/85/11/49/886851149.db2.gz QCJOOEBYKVHKJE-NSHDSACASA-N 1 0 280.288 -2.383 20 30 CAEDRO N#Cc1ccnc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001364451648 887087791 /nfs/dbraw/zinc/08/77/91/887087791.db2.gz MNOLOIQGSOFTDQ-PHIMTYICSA-N 1 0 273.296 -1.028 20 30 CAEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364758846 887131982 /nfs/dbraw/zinc/13/19/82/887131982.db2.gz WJGOZSFUOFKIMD-AOOOYVTPSA-N 1 0 295.343 -1.733 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759188 887132815 /nfs/dbraw/zinc/13/28/15/887132815.db2.gz WJGOZSFUOFKIMD-NXEZZACHSA-N 1 0 295.343 -1.733 20 30 CAEDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001367572432 887396141 /nfs/dbraw/zinc/39/61/41/887396141.db2.gz AIJYKUYDSJXILW-VHSXEESVSA-N 1 0 270.333 -1.309 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001367687983 887422335 /nfs/dbraw/zinc/42/23/35/887422335.db2.gz KDWBCXXRBWHFHF-MRVPVSSYSA-N 1 0 298.796 -1.113 20 30 CAEDRO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001368394351 887484522 /nfs/dbraw/zinc/48/45/22/887484522.db2.gz PZDXLJALRZYCLD-SECBINFHSA-N 1 0 293.327 -1.216 20 30 CAEDRO N#Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)c1 ZINC001368521405 887491877 /nfs/dbraw/zinc/49/18/77/887491877.db2.gz PMGUWXPXYUQXTR-JTQLQIEISA-N 1 0 291.311 -1.198 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001369117093 887521970 /nfs/dbraw/zinc/52/19/70/887521970.db2.gz KLLCPHXIBNHVRB-KYXWUPHJSA-N 1 0 293.327 -1.365 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001369451858 887567908 /nfs/dbraw/zinc/56/79/08/887567908.db2.gz QSNNSWWHQQLZQW-ZJUUUORDSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369449017 887568528 /nfs/dbraw/zinc/56/85/28/887568528.db2.gz IQPWUAYPHMGSFM-BDAKNGLRSA-N 1 0 296.331 -1.823 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001369451840 887569229 /nfs/dbraw/zinc/56/92/29/887569229.db2.gz QSNNSWWHQQLZQW-UWVGGRQHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001369446020 887570101 /nfs/dbraw/zinc/57/01/01/887570101.db2.gz ADEDZPIHQZNQMP-ONGXEEELSA-N 1 0 280.332 -1.116 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001369446009 887570620 /nfs/dbraw/zinc/57/06/20/887570620.db2.gz ADEDZPIHQZNQMP-MWLCHTKSSA-N 1 0 280.332 -1.116 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1ccc(C#N)[nH]1 ZINC001369459809 887572493 /nfs/dbraw/zinc/57/24/93/887572493.db2.gz IAMXNOCUXDDSRZ-SECBINFHSA-N 1 0 279.300 -1.606 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001374591138 887803471 /nfs/dbraw/zinc/80/34/71/887803471.db2.gz AXKHZGDXYZRIMA-SNVBAGLBSA-N 1 0 293.327 -1.345 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001374593354 887803627 /nfs/dbraw/zinc/80/36/27/887803627.db2.gz MWDKGSDOPJVPLI-GHMZBOCLSA-N 1 0 296.327 -1.426 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001374591136 887804962 /nfs/dbraw/zinc/80/49/62/887804962.db2.gz AXKHZGDXYZRIMA-JTQLQIEISA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001374590991 887804820 /nfs/dbraw/zinc/80/48/20/887804820.db2.gz ORJYDBYIMRHUHX-GXSJLCMTSA-N 1 0 282.344 -1.166 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374597190 887808632 /nfs/dbraw/zinc/80/86/32/887808632.db2.gz WWUDJHDHFSFXQS-JTQLQIEISA-N 1 0 279.300 -1.687 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374595013 887809589 /nfs/dbraw/zinc/80/95/89/887809589.db2.gz MDKMLOFZVKRCEW-NSHDSACASA-N 1 0 293.327 -1.297 20 30 CAEDRO C[C@H](C#N)C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001377685078 888008889 /nfs/dbraw/zinc/00/88/89/888008889.db2.gz CDDQKBYJSYIVTA-AFPNSQJFSA-N 1 0 281.316 -1.175 20 30 CAEDRO C[C@@H](C#N)C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001377685085 888008899 /nfs/dbraw/zinc/00/88/99/888008899.db2.gz CDDQKBYJSYIVTA-UEJVZZJDSA-N 1 0 281.316 -1.175 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001379197931 888100984 /nfs/dbraw/zinc/10/09/84/888100984.db2.gz CSKHMRJKHUXVSE-YUMQZZPRSA-N 1 0 278.740 -1.138 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001379760990 888171024 /nfs/dbraw/zinc/17/10/24/888171024.db2.gz JBYKKWBHEZJFIQ-SNVBAGLBSA-N 1 0 293.327 -1.345 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C#N)c[nH]1 ZINC001379763591 888171535 /nfs/dbraw/zinc/17/15/35/888171535.db2.gz KWADBSYFRYPWFN-SECBINFHSA-N 1 0 279.300 -1.606 20 30 CAEDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001379771309 888172304 /nfs/dbraw/zinc/17/23/04/888172304.db2.gz QYXLQUNNJAVCLP-WPRPVWTQSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1)C(=O)NC(N)=O ZINC001380071044 888189910 /nfs/dbraw/zinc/18/99/10/888189910.db2.gz ZIIGWMINZFLDIK-JGVFFNPUSA-N 1 0 281.316 -1.032 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001380071328 888191501 /nfs/dbraw/zinc/19/15/01/888191501.db2.gz ZIIGWMINZFLDIK-YUMQZZPRSA-N 1 0 281.316 -1.032 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001384825211 888433147 /nfs/dbraw/zinc/43/31/47/888433147.db2.gz KOSYGLDIMLVZJC-TUAOUCFPSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001384825212 888433716 /nfs/dbraw/zinc/43/37/16/888433716.db2.gz KOSYGLDIMLVZJC-UTUOFQBUSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001389559482 888553860 /nfs/dbraw/zinc/55/38/60/888553860.db2.gz JZUNCJNSKTYTLR-IONNQARKSA-N 1 0 281.316 -1.175 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001392377821 888690033 /nfs/dbraw/zinc/69/00/33/888690033.db2.gz SXCJDVOFWNPZQD-MRVPVSSYSA-N 1 0 274.712 -1.508 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392388053 888690492 /nfs/dbraw/zinc/69/04/92/888690492.db2.gz FQXZFLVZGAJZNT-DTWKUNHWSA-N 1 0 290.751 -1.171 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cn1ncnn1 ZINC001392377823 888690769 /nfs/dbraw/zinc/69/07/69/888690769.db2.gz SXCJDVOFWNPZQD-QMMMGPOBSA-N 1 0 274.712 -1.508 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766183 888736561 /nfs/dbraw/zinc/73/65/61/888736561.db2.gz IMMYFNIGUAOYBU-APPZFPTMSA-N 1 0 281.316 -1.175 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001393579097 888794416 /nfs/dbraw/zinc/79/44/16/888794416.db2.gz JZBOMXZZCNCAQW-RKDXNWHRSA-N 1 0 297.315 -1.842 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001393579092 888795959 /nfs/dbraw/zinc/79/59/59/888795959.db2.gz JZBOMXZZCNCAQW-BDAKNGLRSA-N 1 0 297.315 -1.842 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001393764374 888802467 /nfs/dbraw/zinc/80/24/67/888802467.db2.gz KTPAKCCLLNHURP-ZJUUUORDSA-N 1 0 282.344 -1.037 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001393764367 888802764 /nfs/dbraw/zinc/80/27/64/888802764.db2.gz KTPAKCCLLNHURP-UWVGGRQHSA-N 1 0 282.344 -1.037 20 30 CAEDRO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001393762348 888804551 /nfs/dbraw/zinc/80/45/51/888804551.db2.gz DLYMPIKGSNVZHL-JTQLQIEISA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001394578449 888842235 /nfs/dbraw/zinc/84/22/35/888842235.db2.gz LSJYTJDMRPWJJY-KOLCDFICSA-N 1 0 282.344 -1.261 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001394578457 888845911 /nfs/dbraw/zinc/84/59/11/888845911.db2.gz LSJYTJDMRPWJJY-ONGXEEELSA-N 1 0 282.344 -1.261 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001394581998 888848154 /nfs/dbraw/zinc/84/81/54/888848154.db2.gz SMMQUJCXADUNNL-QWRGUYRKSA-N 1 0 296.327 -1.426 20 30 CAEDRO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001394584335 888848583 /nfs/dbraw/zinc/84/85/83/888848583.db2.gz XBPXYCLFKJIITJ-UWVGGRQHSA-N 1 0 270.333 -1.263 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)c[nH]1 ZINC001394589831 888852455 /nfs/dbraw/zinc/85/24/55/888852455.db2.gz YQRDZVRLDSRFID-QWRGUYRKSA-N 1 0 291.311 -1.545 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001394732803 888888537 /nfs/dbraw/zinc/88/85/37/888888537.db2.gz SNMAIEKMKSXDMZ-RKDXNWHRSA-N 1 0 299.331 -1.989 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001397629804 888973484 /nfs/dbraw/zinc/97/34/84/888973484.db2.gz TWJYLWYPDFCTAM-CIUDSAMLSA-N 1 0 281.316 -1.175 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CCn1cnnn1 ZINC001401565033 889160061 /nfs/dbraw/zinc/16/00/61/889160061.db2.gz CUVYWNJYBNSWBD-VIFPVBQESA-N 1 0 288.739 -1.118 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001401565027 889161616 /nfs/dbraw/zinc/16/16/16/889161616.db2.gz CUVYWNJYBNSWBD-SECBINFHSA-N 1 0 288.739 -1.118 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001402268735 889211552 /nfs/dbraw/zinc/21/15/52/889211552.db2.gz TUMULLBWJHGNIU-DGCLKSJQSA-N 1 0 292.343 -1.009 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H](C)C#N ZINC001402527342 889245661 /nfs/dbraw/zinc/24/56/61/889245661.db2.gz ABPFTODIWABVQO-ZJUUUORDSA-N 1 0 270.333 -1.309 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N ZINC001402527331 889247539 /nfs/dbraw/zinc/24/75/39/889247539.db2.gz ABPFTODIWABVQO-UWVGGRQHSA-N 1 0 270.333 -1.309 20 30 CAEDRO CNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001403648525 889332846 /nfs/dbraw/zinc/33/28/46/889332846.db2.gz CXXBFAUOFCKRLL-VIFPVBQESA-N 1 0 279.300 -1.687 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403654532 889332893 /nfs/dbraw/zinc/33/28/93/889332893.db2.gz KAWUIXQWBGMXHM-MNOVXSKESA-N 1 0 296.327 -1.426 20 30 CAEDRO CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001403680734 889344759 /nfs/dbraw/zinc/34/47/59/889344759.db2.gz LPUGVBPPDIGRLM-ZJUUUORDSA-N 1 0 270.333 -1.261 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001403853939 889378825 /nfs/dbraw/zinc/37/88/25/889378825.db2.gz BEHVMIPYDFHNJK-QMMMGPOBSA-N 1 0 288.739 -1.015 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405288213 889444875 /nfs/dbraw/zinc/44/48/75/889444875.db2.gz SBOGOUUWMYAVAJ-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405288186 889446404 /nfs/dbraw/zinc/44/64/04/889446404.db2.gz SBOGOUUWMYAVAJ-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405288202 889446905 /nfs/dbraw/zinc/44/69/05/889446905.db2.gz SBOGOUUWMYAVAJ-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C ZINC001405359175 889453843 /nfs/dbraw/zinc/45/38/43/889453843.db2.gz GQQGDWFSOBJOTO-NXEZZACHSA-N 1 0 270.333 -1.309 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001405624482 889461434 /nfs/dbraw/zinc/46/14/34/889461434.db2.gz GELPQCZGASDFHB-BDAKNGLRSA-N 1 0 283.332 -1.056 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C#N ZINC001405624486 889462227 /nfs/dbraw/zinc/46/22/27/889462227.db2.gz GELPQCZGASDFHB-DTWKUNHWSA-N 1 0 283.332 -1.056 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cn1cnnn1 ZINC001406178677 889478121 /nfs/dbraw/zinc/47/81/21/889478121.db2.gz FDOPSQMQNNVUPU-QMMMGPOBSA-N 1 0 274.712 -1.508 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)c[nH]1 ZINC001406206593 889485453 /nfs/dbraw/zinc/48/54/53/889485453.db2.gz GKOVHFSWCTUQRF-WDEREUQCSA-N 1 0 291.311 -1.545 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001406207507 889485520 /nfs/dbraw/zinc/48/55/20/889485520.db2.gz IRGVOAOOFXTQBU-GHMZBOCLSA-N 1 0 296.327 -1.426 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001406255006 889498406 /nfs/dbraw/zinc/49/84/06/889498406.db2.gz MVXAJJMAOXEPBD-SSDOTTSWSA-N 1 0 274.712 -1.357 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001406273697 889503352 /nfs/dbraw/zinc/50/33/52/889503352.db2.gz KOSYGLDIMLVZJC-IJLUTSLNSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@H](C#N)C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001407582637 889583132 /nfs/dbraw/zinc/58/31/32/889583132.db2.gz OZYRUEILROHHIS-SNVBAGLBSA-N 1 0 281.360 -1.198 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001407563114 889583214 /nfs/dbraw/zinc/58/32/14/889583214.db2.gz YBQYQPOLFQJVLI-BBBLOLIVSA-N 1 0 293.327 -1.269 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001410169548 889663626 /nfs/dbraw/zinc/66/36/26/889663626.db2.gz ZWGDNUIBBDCYJC-ZJUUUORDSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001410169546 889665771 /nfs/dbraw/zinc/66/57/71/889665771.db2.gz ZWGDNUIBBDCYJC-VHSXEESVSA-N 1 0 270.333 -1.309 20 30 CAEDRO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001410593847 889686253 /nfs/dbraw/zinc/68/62/53/889686253.db2.gz LABINBUPXDERON-NWDGAFQWSA-N 1 0 296.327 -1.426 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001410599941 889691872 /nfs/dbraw/zinc/69/18/72/889691872.db2.gz ZJSLXWWOMZMXEB-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411240899 889743482 /nfs/dbraw/zinc/74/34/82/889743482.db2.gz USTPOCKRRAETFL-UEJVZZJDSA-N 1 0 281.316 -1.080 20 30 CAEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413021663 889927534 /nfs/dbraw/zinc/92/75/34/889927534.db2.gz BNLDMUVGOINTOQ-AOOOYVTPSA-N 1 0 295.343 -1.733 20 30 CAEDRO N#CC1(C[C@@H](O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001413028164 889928610 /nfs/dbraw/zinc/92/86/10/889928610.db2.gz ORFUKGAMKLTZQY-BBBLOLIVSA-N 1 0 280.328 -1.440 20 30 CAEDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC001413370000 889973723 /nfs/dbraw/zinc/97/37/23/889973723.db2.gz QAJFYZWNOIHLQW-GHMZBOCLSA-N 1 0 288.373 -1.003 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001418087726 890190849 /nfs/dbraw/zinc/19/08/49/890190849.db2.gz IPVSSQYZKXORSO-XAVMHZPKSA-N 1 0 281.316 -1.034 20 30 CAEDRO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1)C(=O)NC(N)=O ZINC001418087725 890191098 /nfs/dbraw/zinc/19/10/98/890191098.db2.gz IPVSSQYZKXORSO-UYXSQOIJSA-N 1 0 281.316 -1.034 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001418332791 890211383 /nfs/dbraw/zinc/21/13/83/890211383.db2.gz FYLAPHMPLKXKHB-RKDXNWHRSA-N 1 0 281.316 -1.221 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420112483 890387605 /nfs/dbraw/zinc/38/76/05/890387605.db2.gz PCMALCWUMYADFC-WPRPVWTQSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420112459 890390982 /nfs/dbraw/zinc/39/09/82/890390982.db2.gz PCMALCWUMYADFC-PSASIEDQSA-N 1 0 293.327 -1.299 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001420141343 890400358 /nfs/dbraw/zinc/40/03/58/890400358.db2.gz PNFZDOUSIOPJIK-SECBINFHSA-N 1 0 296.776 -1.150 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)NC ZINC001422312116 890572813 /nfs/dbraw/zinc/57/28/13/890572813.db2.gz DQSVDSSFFJMASG-MRVPVSSYSA-N 1 0 278.740 -1.265 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)[C@H](C)C#N ZINC001422471999 890593941 /nfs/dbraw/zinc/59/39/41/890593941.db2.gz UDKLASPHPZPDHQ-NXEZZACHSA-N 1 0 295.343 -1.801 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)[C@@H](C)C#N ZINC001422472024 890596595 /nfs/dbraw/zinc/59/65/95/890596595.db2.gz UDKLASPHPZPDHQ-VHSXEESVSA-N 1 0 295.343 -1.801 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001423220225 890647625 /nfs/dbraw/zinc/64/76/25/890647625.db2.gz PKHFIOOTMYORHM-WCBMZHEXSA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001423470911 890678036 /nfs/dbraw/zinc/67/80/36/890678036.db2.gz OXTPDFXIUBSQFQ-BDAKNGLRSA-N 1 0 281.316 -1.078 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001424066759 890717721 /nfs/dbraw/zinc/71/77/21/890717721.db2.gz KJFQQPCZBXGIRF-WDEREUQCSA-N 1 0 282.344 -1.213 20 30 CAEDRO CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 ZINC001424389268 890731479 /nfs/dbraw/zinc/73/14/79/890731479.db2.gz FSZBANUAYWSEFH-ZWNOBZJWSA-N 1 0 282.344 -1.165 20 30 CAEDRO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001425705576 890794580 /nfs/dbraw/zinc/79/45/80/890794580.db2.gz BIRLRZVYTCMOOY-UWVGGRQHSA-N 1 0 270.333 -1.309 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001425996959 890839476 /nfs/dbraw/zinc/83/94/76/890839476.db2.gz HYNUPPSVQAVFQT-NSHDSACASA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001425983983 890839751 /nfs/dbraw/zinc/83/97/51/890839751.db2.gz ROLVNTGDYBZXNS-MNOVXSKESA-N 1 0 282.344 -1.213 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001425996954 890841264 /nfs/dbraw/zinc/84/12/64/890841264.db2.gz HYNUPPSVQAVFQT-LLVKDONJSA-N 1 0 293.327 -1.345 20 30 CAEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cn1nnc(N)n1 ZINC001433626777 891040312 /nfs/dbraw/zinc/04/03/12/891040312.db2.gz SFZBWMQODRSNIC-UHFFFAOYSA-N 1 0 280.336 -1.051 20 30 CAEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001437187381 891169334 /nfs/dbraw/zinc/16/93/34/891169334.db2.gz JMAVJCWKTHVCBB-QMMMGPOBSA-N 1 0 298.796 -1.113 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001438980509 891253231 /nfs/dbraw/zinc/25/32/31/891253231.db2.gz KUDVSOBIHOBZEY-VIFPVBQESA-N 1 0 279.300 -1.687 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001438987143 891255350 /nfs/dbraw/zinc/25/53/50/891255350.db2.gz WYTYVOVECAJNMP-LLVKDONJSA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001440307837 891367493 /nfs/dbraw/zinc/36/74/93/891367493.db2.gz KFXZYNDGPSCAIB-MRVPVSSYSA-N 1 0 281.316 -1.031 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001441346515 891410448 /nfs/dbraw/zinc/41/04/48/891410448.db2.gz CDDQKBYJSYIVTA-IWSPIJDZSA-N 1 0 281.316 -1.175 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)c1 ZINC001441670837 891426191 /nfs/dbraw/zinc/42/61/91/891426191.db2.gz NLLDONXAVFREHW-NXEZZACHSA-N 1 0 291.311 -1.545 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001444307391 891570732 /nfs/dbraw/zinc/57/07/32/891570732.db2.gz QBDYYTJPRWESGV-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@@H](O)CNC(C)=O ZINC001445119089 891597467 /nfs/dbraw/zinc/59/74/67/891597467.db2.gz SFKAEIBCRHIVIH-LLVKDONJSA-N 1 0 270.333 -1.165 20 30 CAEDRO CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001445147446 891606691 /nfs/dbraw/zinc/60/66/91/891606691.db2.gz FMXQZRGAXBQGLE-VHSXEESVSA-N 1 0 270.333 -1.261 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445149611 891607223 /nfs/dbraw/zinc/60/72/23/891607223.db2.gz GSNFVJMBXLIRDQ-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445149621 891607662 /nfs/dbraw/zinc/60/76/62/891607662.db2.gz GSNFVJMBXLIRDQ-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001445242084 891620814 /nfs/dbraw/zinc/62/08/14/891620814.db2.gz VVNRKKJIDSLGDL-HTQZYQBOSA-N 1 0 276.724 -1.513 20 30 CAEDRO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)c[nH]1 ZINC001447282786 891720996 /nfs/dbraw/zinc/72/09/96/891720996.db2.gz LPZMWAJMQCGFDG-NSHDSACASA-N 1 0 291.311 -1.198 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001448816066 891780541 /nfs/dbraw/zinc/78/05/41/891780541.db2.gz LABINBUPXDERON-RYUDHWBXSA-N 1 0 296.327 -1.426 20 30 CAEDRO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001448813149 891780583 /nfs/dbraw/zinc/78/05/83/891780583.db2.gz BQQWIWRJFFHLCR-LLVKDONJSA-N 1 0 293.327 -1.297 20 30 CAEDRO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001448815293 891780908 /nfs/dbraw/zinc/78/09/08/891780908.db2.gz IHJNSVXSJMABDP-SNVBAGLBSA-N 1 0 279.300 -1.687 20 30 CAEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001449101655 891823911 /nfs/dbraw/zinc/82/39/11/891823911.db2.gz MAXZIXJNRJYHKK-SCZZXKLOSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001449101652 891824897 /nfs/dbraw/zinc/82/48/97/891824897.db2.gz MAXZIXJNRJYHKK-PSASIEDQSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCn1cnc(C#N)n1 ZINC001449133276 891829320 /nfs/dbraw/zinc/82/93/20/891829320.db2.gz UZEDVNVEODINCL-SKDRFNHKSA-N 1 0 278.316 -1.279 20 30 CAEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCn1cnc(C#N)n1 ZINC001449133273 891830385 /nfs/dbraw/zinc/83/03/85/891830385.db2.gz UZEDVNVEODINCL-BXKDBHETSA-N 1 0 278.316 -1.279 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001452649861 891956070 /nfs/dbraw/zinc/95/60/70/891956070.db2.gz NBRBBXWHLCTMKN-HBNTYKKESA-N 1 0 282.344 -1.214 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001452649859 891956447 /nfs/dbraw/zinc/95/64/47/891956447.db2.gz NBRBBXWHLCTMKN-GMTAPVOTSA-N 1 0 282.344 -1.214 20 30 CAEDRO C[N@H+](CCO)CCNC(=O)Cn1cnc(C#N)n1 ZINC001455779808 892055912 /nfs/dbraw/zinc/05/59/12/892055912.db2.gz IMERFAQVXLZIJF-UHFFFAOYSA-N 1 0 252.278 -1.810 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001458016735 892114933 /nfs/dbraw/zinc/11/49/33/892114933.db2.gz DKNUNCJVUZVLQY-WDEREUQCSA-N 1 0 294.355 -1.165 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)NCCN1C(=O)CNC1=O ZINC001468719754 892276965 /nfs/dbraw/zinc/27/69/65/892276965.db2.gz NREOMMCIHWYAHJ-UHFFFAOYSA-N 1 0 295.343 -1.208 20 30 CAEDRO CCS(=O)(=O)N(C)CC(=O)NCC#CC[NH+](C)C ZINC001471035214 892342330 /nfs/dbraw/zinc/34/23/30/892342330.db2.gz BBLVUWMAWSXJCV-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NCCS(N)(=O)=O ZINC001471630289 892360534 /nfs/dbraw/zinc/36/05/34/892360534.db2.gz SIVJDGSIZCILKF-UHFFFAOYSA-N 1 0 262.335 -1.861 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001471630158 892361457 /nfs/dbraw/zinc/36/14/57/892361457.db2.gz LPUSLUSEKFPUDL-WDEREUQCSA-N 1 0 255.318 -1.454 20 30 CAEDRO C#CCN1CCN(C(=O)CN2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001473557365 892420277 /nfs/dbraw/zinc/42/02/77/892420277.db2.gz XUHNUBKYUMEITQ-KGLIPLIRSA-N 1 0 295.383 -1.561 20 30 CAEDRO N#CC1(C[C@H](O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CCC1 ZINC001473642253 892423308 /nfs/dbraw/zinc/42/33/08/892423308.db2.gz ICMZWAMRUBMCQH-DCAQKATOSA-N 1 0 294.355 -1.050 20 30 CAEDRO C#CCOCC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001473733785 892428255 /nfs/dbraw/zinc/42/82/55/892428255.db2.gz MSXJQQJQKAYPQN-UHFFFAOYSA-N 1 0 274.342 -1.342 20 30 CAEDRO C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001475305457 892441872 /nfs/dbraw/zinc/44/18/72/892441872.db2.gz WYZHBWYMYZVBDI-VHSXEESVSA-N 1 0 276.362 -1.005 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(=O)NCC#N ZINC001478602732 892460045 /nfs/dbraw/zinc/46/00/45/892460045.db2.gz NDMUTGNBVLNOEE-SNVBAGLBSA-N 1 0 282.348 -1.829 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(=O)NCC#N ZINC001478602731 892460228 /nfs/dbraw/zinc/46/02/28/892460228.db2.gz NDMUTGNBVLNOEE-JTQLQIEISA-N 1 0 282.348 -1.829 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001478734232 892463443 /nfs/dbraw/zinc/46/34/43/892463443.db2.gz ASYDHFHKROTZDV-LLVKDONJSA-N 1 0 282.344 -1.163 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OCC ZINC001479540162 892477802 /nfs/dbraw/zinc/47/78/02/892477802.db2.gz JWKGLNXHMVZIDX-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001479658723 892478409 /nfs/dbraw/zinc/47/84/09/892478409.db2.gz CZEZEEDDPNXAKY-VXGBXAGGSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCNC1=O ZINC001479788783 892480728 /nfs/dbraw/zinc/48/07/28/892480728.db2.gz DPCSCFVMYNZAJP-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCNC1=O ZINC001479788782 892481187 /nfs/dbraw/zinc/48/11/87/892481187.db2.gz DPCSCFVMYNZAJP-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C(N)=O ZINC001479793645 892481272 /nfs/dbraw/zinc/48/12/72/892481272.db2.gz LQKUGRNUAJCHFB-VIFPVBQESA-N 1 0 268.317 -1.952 20 30 CAEDRO CC(=O)N1CCC([N@H+](CCO)CC(=O)NCC#N)CC1 ZINC001479749275 892481343 /nfs/dbraw/zinc/48/13/43/892481343.db2.gz ZYNSWJQMOXVULT-UHFFFAOYSA-N 1 0 282.344 -1.069 20 30 CAEDRO C[N@H+](CCCNC(=O)c1cnon1)CC(=O)NCC#N ZINC001479803034 892481488 /nfs/dbraw/zinc/48/14/88/892481488.db2.gz FUBYLUDOWNCEFJ-UHFFFAOYSA-N 1 0 280.288 -1.239 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C(N)=O ZINC001479793644 892481879 /nfs/dbraw/zinc/48/18/79/892481879.db2.gz LQKUGRNUAJCHFB-SECBINFHSA-N 1 0 268.317 -1.952 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)C(N)=O ZINC001479853187 892486355 /nfs/dbraw/zinc/48/63/55/892486355.db2.gz FFXSLTICFJRURU-SNVBAGLBSA-N 1 0 282.344 -1.562 20 30 CAEDRO CC[N@H+](CCCNC(=O)c1cn[nH]n1)CC(=O)NCC#N ZINC001479848521 892487232 /nfs/dbraw/zinc/48/72/32/892487232.db2.gz XZGIUGUETDOPHH-UHFFFAOYSA-N 1 0 293.331 -1.114 20 30 CAEDRO C#CCC[NH+]1CCN(CCNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001479930089 892490622 /nfs/dbraw/zinc/49/06/22/892490622.db2.gz FCFIRLXHOJOHRS-LBPRGKRZSA-N 1 0 295.387 -1.200 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001479965784 892493574 /nfs/dbraw/zinc/49/35/74/892493574.db2.gz OBGLFKFYBMSWJT-QWRGUYRKSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCOC)C1 ZINC001480104410 892497767 /nfs/dbraw/zinc/49/77/67/892497767.db2.gz QJVWPHQYESYZJQ-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480043278 892498062 /nfs/dbraw/zinc/49/80/62/892498062.db2.gz JUBVAXIIUXUWPB-VIFPVBQESA-N 1 0 268.317 -1.742 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CNC(=O)C(N)=O)C1CC1 ZINC001480043277 892498201 /nfs/dbraw/zinc/49/82/01/892498201.db2.gz JUBVAXIIUXUWPB-SECBINFHSA-N 1 0 268.317 -1.742 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001480044300 892498219 /nfs/dbraw/zinc/49/82/19/892498219.db2.gz SMGRSDMBHXVTCY-ZJUUUORDSA-N 1 0 250.302 -1.215 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)CNS(=O)(=O)NC)C1CC1 ZINC001480036536 892498239 /nfs/dbraw/zinc/49/82/39/892498239.db2.gz LQXMKVGYKNYGIL-SNVBAGLBSA-N 1 0 288.373 -1.842 20 30 CAEDRO NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001480110097 892498582 /nfs/dbraw/zinc/49/85/82/892498582.db2.gz YHBBLXJHXACETR-JTQLQIEISA-N 1 0 278.312 -1.215 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001480136235 892500515 /nfs/dbraw/zinc/50/05/15/892500515.db2.gz JJYBSWZROILFQQ-MGCOHNPYSA-N 1 0 292.343 -1.032 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001480131168 892500815 /nfs/dbraw/zinc/50/08/15/892500815.db2.gz IPVSSQYZKXORSO-BZNPZCIMSA-N 1 0 281.316 -1.034 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001480131171 892501009 /nfs/dbraw/zinc/50/10/09/892501009.db2.gz IPVSSQYZKXORSO-JBDRJPRFSA-N 1 0 281.316 -1.034 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001480139996 892501060 /nfs/dbraw/zinc/50/10/60/892501060.db2.gz HANDQBPMPVYDEK-RMIALFOJSA-N 1 0 292.339 -1.101 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001480112846 892501290 /nfs/dbraw/zinc/50/12/90/892501290.db2.gz CPGLGIKXDUUXAJ-QMMMGPOBSA-N 1 0 277.288 -1.751 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001480136781 892501569 /nfs/dbraw/zinc/50/15/69/892501569.db2.gz OIDGHCPMOTZZAC-CIUDSAMLSA-N 1 0 295.299 -2.029 20 30 CAEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1)C(=O)NC(N)=O ZINC001480131172 892501954 /nfs/dbraw/zinc/50/19/54/892501954.db2.gz IPVSSQYZKXORSO-KZVJFYERSA-N 1 0 281.316 -1.034 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001480154726 892503280 /nfs/dbraw/zinc/50/32/80/892503280.db2.gz VOPAIGYLAHTDJN-OPRDCNLKSA-N 1 0 293.327 -2.346 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001480158560 892504189 /nfs/dbraw/zinc/50/41/89/892504189.db2.gz SSCBJLSCKWSHDL-KYXWUPHJSA-N 1 0 293.327 -2.016 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001480196215 892504640 /nfs/dbraw/zinc/50/46/40/892504640.db2.gz ROROKCAQJMQHGJ-OUAUKWLOSA-N 1 0 294.355 -1.196 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001480174567 892505053 /nfs/dbraw/zinc/50/50/53/892505053.db2.gz FUDLJYOYHHQKFW-HAQNSBGRSA-N 1 0 289.339 -1.131 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001480238898 892506492 /nfs/dbraw/zinc/50/64/92/892506492.db2.gz FGEGMMOMOABVPB-AOOOYVTPSA-N 1 0 295.343 -1.481 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001480217836 892507974 /nfs/dbraw/zinc/50/79/74/892507974.db2.gz GYFSCKRIZLTHLL-UZPTXHBLSA-N 1 0 291.351 -1.135 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC001480228710 892508304 /nfs/dbraw/zinc/50/83/04/892508304.db2.gz WPBIMBZMSVDEAT-AOOOYVTPSA-N 1 0 288.311 -1.033 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001480236184 892508888 /nfs/dbraw/zinc/50/88/88/892508888.db2.gz ZOVHFFGOBRVYKK-AEJSXWLSSA-N 1 0 278.312 -1.155 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CNC(C)=O ZINC001480415065 892511308 /nfs/dbraw/zinc/51/13/08/892511308.db2.gz DSVZEQVURHAHDL-NXEZZACHSA-N 1 0 282.344 -1.645 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CNC(C)=O ZINC001480415080 892511978 /nfs/dbraw/zinc/51/19/78/892511978.db2.gz DSVZEQVURHAHDL-ZJUUUORDSA-N 1 0 282.344 -1.645 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001480436577 892513497 /nfs/dbraw/zinc/51/34/97/892513497.db2.gz SQWZJYDLWARYMF-UWVGGRQHSA-N 1 0 250.302 -1.010 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001480429486 892513952 /nfs/dbraw/zinc/51/39/52/892513952.db2.gz TVJAQHAXCKCFCZ-GHMZBOCLSA-N 1 0 283.328 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1ccnn1C ZINC001480434646 892514234 /nfs/dbraw/zinc/51/42/34/892514234.db2.gz NFMAPAABYAXKLW-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C[C@H](CNC(=O)c1ccn[nH]1)[NH2+]CC(=O)NCC#N ZINC001480428918 892514820 /nfs/dbraw/zinc/51/48/20/892514820.db2.gz KNYRTQFCKZTQLH-MRVPVSSYSA-N 1 0 264.289 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001480451450 892518596 /nfs/dbraw/zinc/51/85/96/892518596.db2.gz WAJVOSSHGSPUPJ-IUCAKERBSA-N 1 0 283.332 -2.113 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC1OCCCO1 ZINC001480451159 892519129 /nfs/dbraw/zinc/51/91/29/892519129.db2.gz QHMXHZCSMUDUQS-LLVKDONJSA-N 1 0 297.355 -1.017 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001480451279 892519189 /nfs/dbraw/zinc/51/91/89/892519189.db2.gz SJSGTQOGUFGAFL-UWVGGRQHSA-N 1 0 270.333 -1.213 20 30 CAEDRO C[C@H](CNC(=O)c1ncc[nH]1)[NH2+]CC(=O)NCC#N ZINC001480458283 892519940 /nfs/dbraw/zinc/51/99/40/892519940.db2.gz WKMIQVOYUSEBNH-MRVPVSSYSA-N 1 0 264.289 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1nnn(C)c1C ZINC001480437824 892520020 /nfs/dbraw/zinc/52/00/20/892520020.db2.gz GDSXKBMVZZOIQZ-SECBINFHSA-N 1 0 292.343 -1.419 20 30 CAEDRO C#CCOCCC(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001480459282 892522024 /nfs/dbraw/zinc/52/20/24/892522024.db2.gz JOCKYFRNRQVQSH-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCOCCC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001480459247 892521793 /nfs/dbraw/zinc/52/17/93/892521793.db2.gz JCTOTJRLHVAJBX-NXEZZACHSA-N 1 0 298.343 -1.296 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1CCCS1(=O)=O ZINC001480472728 892521886 /nfs/dbraw/zinc/52/18/86/892521886.db2.gz QQRVCLPEOFICGM-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCOCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001480459250 892521958 /nfs/dbraw/zinc/52/19/58/892521958.db2.gz JCTOTJRLHVAJBX-ZJUUUORDSA-N 1 0 298.343 -1.296 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001480473236 892522416 /nfs/dbraw/zinc/52/24/16/892522416.db2.gz UEOKOXVYJMZHDO-SNVBAGLBSA-N 1 0 278.312 -1.726 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cncn1C ZINC001480498050 892524644 /nfs/dbraw/zinc/52/46/44/892524644.db2.gz XWRGHEUIPRCBEU-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)[NH2+]CC(=O)NCC#N ZINC001480523904 892526105 /nfs/dbraw/zinc/52/61/05/892526105.db2.gz HHSFQTHEZOWPHO-MRVPVSSYSA-N 1 0 292.299 -1.882 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001480508654 892526349 /nfs/dbraw/zinc/52/63/49/892526349.db2.gz LFSLYEFXUOIYHW-SNVBAGLBSA-N 1 0 265.317 -1.301 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001480542054 892530475 /nfs/dbraw/zinc/53/04/75/892530475.db2.gz JDYFEAJARFAFQM-SNVBAGLBSA-N 1 0 277.328 -1.204 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001480527160 892531312 /nfs/dbraw/zinc/53/13/12/892531312.db2.gz OTORFLWFWXETAJ-ZJUUUORDSA-N 1 0 268.317 -1.588 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001480547654 892531450 /nfs/dbraw/zinc/53/14/50/892531450.db2.gz CNLGYEVUGOHIFC-KOLCDFICSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001480554656 892532721 /nfs/dbraw/zinc/53/27/21/892532721.db2.gz QHCCNWBOJTXOOS-QMMMGPOBSA-N 1 0 251.286 -1.233 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001480554655 892535201 /nfs/dbraw/zinc/53/52/01/892535201.db2.gz QHCCNWBOJTXOOS-MRVPVSSYSA-N 1 0 251.286 -1.233 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001480561570 892535435 /nfs/dbraw/zinc/53/54/35/892535435.db2.gz LCOFIFMNFCHABO-JTQLQIEISA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001480613902 892536760 /nfs/dbraw/zinc/53/67/60/892536760.db2.gz CJUZZLLTZJLUOH-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnon2)C1 ZINC001480621630 892536785 /nfs/dbraw/zinc/53/67/85/892536785.db2.gz ATRBDQAXOCUYTQ-QMMMGPOBSA-N 1 0 278.272 -1.487 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001480614303 892538145 /nfs/dbraw/zinc/53/81/45/892538145.db2.gz MNSOOAMZZKGFDL-UWVGGRQHSA-N 1 0 294.311 -1.965 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001480612272 892538299 /nfs/dbraw/zinc/53/82/99/892538299.db2.gz YNBQYIPLQNEIQO-NEPJUHHUSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001480618497 892538366 /nfs/dbraw/zinc/53/83/66/892538366.db2.gz BHYNWKSAGJIWDW-WDEREUQCSA-N 1 0 292.339 -1.938 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001480622099 892538524 /nfs/dbraw/zinc/53/85/24/892538524.db2.gz RMAJTQPBHFLJFD-JTQLQIEISA-N 1 0 292.343 -1.160 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001480612273 892538783 /nfs/dbraw/zinc/53/87/83/892538783.db2.gz YNBQYIPLQNEIQO-RYUDHWBXSA-N 1 0 279.340 -1.037 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001480619886 892539611 /nfs/dbraw/zinc/53/96/11/892539611.db2.gz RROXTGIKCUBDAF-QWRGUYRKSA-N 1 0 280.328 -1.492 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001480658303 892542349 /nfs/dbraw/zinc/54/23/49/892542349.db2.gz CHCMDQGLTMBIBZ-VIFPVBQESA-N 1 0 266.301 -2.341 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CC(N)=O ZINC001480754564 892545086 /nfs/dbraw/zinc/54/50/86/892545086.db2.gz TXKDHPMGKRRLFO-ZJUUUORDSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001480882723 892552701 /nfs/dbraw/zinc/55/27/01/892552701.db2.gz VSQHQIKFUROKAJ-UHFFFAOYSA-N 1 0 251.290 -1.737 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001480911278 892558159 /nfs/dbraw/zinc/55/81/59/892558159.db2.gz BTUVPNCGKQHCOF-VHSXEESVSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001481285559 892592829 /nfs/dbraw/zinc/59/28/29/892592829.db2.gz JFZMQWLFTDTPGC-UHFFFAOYSA-N 1 0 276.362 -1.936 20 30 CAEDRO CC#CC[N@H+](CC)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001480975921 892569248 /nfs/dbraw/zinc/56/92/48/892569248.db2.gz NGOFZETXURYDHL-UHFFFAOYSA-N 1 0 292.343 -1.162 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CS(=O)(=O)N(C)C ZINC001481014322 892573236 /nfs/dbraw/zinc/57/32/36/892573236.db2.gz IKSCCHWPXVRRDI-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001481122176 892576907 /nfs/dbraw/zinc/57/69/07/892576907.db2.gz KTKGTZOLVWHQOH-NSHDSACASA-N 1 0 287.385 -1.051 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001481097040 892577043 /nfs/dbraw/zinc/57/70/43/892577043.db2.gz XLMQKELQPDMIJR-SNVBAGLBSA-N 1 0 252.318 -1.013 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001481122175 892578142 /nfs/dbraw/zinc/57/81/42/892578142.db2.gz KTKGTZOLVWHQOH-LLVKDONJSA-N 1 0 287.385 -1.051 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001481171157 892579259 /nfs/dbraw/zinc/57/92/59/892579259.db2.gz ZZKVSLLCVVCTAY-UHFFFAOYSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001481098925 892580564 /nfs/dbraw/zinc/58/05/64/892580564.db2.gz JTKSOVQYJGDYNA-LLVKDONJSA-N 1 0 277.328 -1.347 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)OC ZINC001481211959 892581513 /nfs/dbraw/zinc/58/15/13/892581513.db2.gz SXSWXYYJVODHQP-JTQLQIEISA-N 1 0 255.318 -1.181 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)CNC(=O)CC ZINC001481215636 892582028 /nfs/dbraw/zinc/58/20/28/892582028.db2.gz LZPBNRHPUKZYGS-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1COCCO1 ZINC001481208511 892582628 /nfs/dbraw/zinc/58/26/28/892582628.db2.gz CXUZYTGMGOIJOL-LLVKDONJSA-N 1 0 283.328 -1.801 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CNC(=O)CC ZINC001481216398 892583901 /nfs/dbraw/zinc/58/39/01/892583901.db2.gz ZWDOBFVTXPZANE-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481228390 892585629 /nfs/dbraw/zinc/58/56/29/892585629.db2.gz BQFNALKVRFKOLO-SECBINFHSA-N 1 0 284.316 -1.732 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481226104 892586331 /nfs/dbraw/zinc/58/63/31/892586331.db2.gz VGCMWKGPYSXHLW-GFCCVEGCSA-N 1 0 286.332 -1.444 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cnn(CC)n1 ZINC001481227503 892586694 /nfs/dbraw/zinc/58/66/94/892586694.db2.gz XPUZNLYDIDCPLK-UHFFFAOYSA-N 1 0 292.343 -1.291 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cncnc1 ZINC001481222577 892586725 /nfs/dbraw/zinc/58/67/25/892586725.db2.gz WCGPQIRPVHWUQI-UHFFFAOYSA-N 1 0 276.300 -1.222 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CN1CCOCC1=O ZINC001481240762 892589402 /nfs/dbraw/zinc/58/94/02/892589402.db2.gz XAHUSTFTIDKIMG-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO C=CC[NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001481241190 892590412 /nfs/dbraw/zinc/59/04/12/892590412.db2.gz OLXFQYKMJAJBLO-QMMMGPOBSA-N 1 0 254.290 -1.182 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001481248361 892590496 /nfs/dbraw/zinc/59/04/96/892590496.db2.gz LKECHNJMEMCOGI-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001481236849 892590631 /nfs/dbraw/zinc/59/06/31/892590631.db2.gz ZCPKGGJVIUPNRR-LLVKDONJSA-N 1 0 294.355 -1.738 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C(C)(C)C(N)=O ZINC001481243255 892590758 /nfs/dbraw/zinc/59/07/58/892590758.db2.gz LDKCTQPEAVLOIJ-UHFFFAOYSA-N 1 0 283.332 -1.814 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)CN1CCOCC1=O ZINC001481240760 892591435 /nfs/dbraw/zinc/59/14/35/892591435.db2.gz WTILHVQGDMWNGO-UHFFFAOYSA-N 1 0 297.355 -1.457 20 30 CAEDRO C=CC[NH2+]CCN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001481236028 892591471 /nfs/dbraw/zinc/59/14/71/892591471.db2.gz HTTZIPNBMLUBDX-UHFFFAOYSA-N 1 0 280.328 -1.219 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001481248519 892591685 /nfs/dbraw/zinc/59/16/85/892591685.db2.gz NIWDFCMJTXYMCE-UHFFFAOYSA-N 1 0 295.343 -1.720 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001481236850 892591729 /nfs/dbraw/zinc/59/17/29/892591729.db2.gz ZCPKGGJVIUPNRR-NSHDSACASA-N 1 0 294.355 -1.738 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001481285291 892592765 /nfs/dbraw/zinc/59/27/65/892592765.db2.gz DFKYSJQNPQOYJM-JTQLQIEISA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1nccc1C ZINC001481285668 892595125 /nfs/dbraw/zinc/59/51/25/892595125.db2.gz MWDWTMWHIOMPPF-UHFFFAOYSA-N 1 0 291.355 -1.011 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1CCC(=O)N1 ZINC001481290950 892595221 /nfs/dbraw/zinc/59/52/21/892595221.db2.gz QKSVOTVPCZNKBK-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO C[C@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)C(N)=O)CC1 ZINC001481337843 892596076 /nfs/dbraw/zinc/59/60/76/892596076.db2.gz XGAMTOWOOGPRFB-VIFPVBQESA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1nonc1C ZINC001481322712 892597129 /nfs/dbraw/zinc/59/71/29/892597129.db2.gz KOWZPGZWUZDFFJ-UHFFFAOYSA-N 1 0 279.300 -1.211 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)C(N)=O)CC1 ZINC001481337838 892598357 /nfs/dbraw/zinc/59/83/57/892598357.db2.gz XGAMTOWOOGPRFB-SECBINFHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CS(=O)(=O)NC ZINC001481317910 892598694 /nfs/dbraw/zinc/59/86/94/892598694.db2.gz ULQKFXMPTXDTMG-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001481309839 892599132 /nfs/dbraw/zinc/59/91/32/892599132.db2.gz JTQYRORRGLZEPU-UHFFFAOYSA-N 1 0 279.344 -1.038 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001481499846 892601805 /nfs/dbraw/zinc/60/18/05/892601805.db2.gz YJXWQULTHMSZKU-NSHDSACASA-N 1 0 267.329 -1.098 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001481631107 892615236 /nfs/dbraw/zinc/61/52/36/892615236.db2.gz TXHYQZMHIGCJQC-JTQLQIEISA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001481743245 892623464 /nfs/dbraw/zinc/62/34/64/892623464.db2.gz CMHDGGCEKFEAGO-NEPJUHHUSA-N 1 0 294.355 -1.468 20 30 CAEDRO CC[C@H](CNC(=O)CC(N)=O)[NH2+]CC#CCOC ZINC001481798238 892627801 /nfs/dbraw/zinc/62/78/01/892627801.db2.gz PUUYYXSYULWUEO-SNVBAGLBSA-N 1 0 255.318 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)CC(N)=O ZINC001481796747 892628277 /nfs/dbraw/zinc/62/82/77/892628277.db2.gz GZFDXPNWBIXXFV-SECBINFHSA-N 1 0 268.317 -1.904 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)C(N)=O ZINC001481849834 892630332 /nfs/dbraw/zinc/63/03/32/892630332.db2.gz NXBHDPRJLFSODX-IUCAKERBSA-N 1 0 270.333 -1.353 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)C(N)=O ZINC001481849836 892630965 /nfs/dbraw/zinc/63/09/65/892630965.db2.gz NXBHDPRJLFSODX-RKDXNWHRSA-N 1 0 270.333 -1.353 20 30 CAEDRO C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]CC(=O)NCC#N ZINC001482095965 892633215 /nfs/dbraw/zinc/63/32/15/892633215.db2.gz DZSFVCPMFTVXPI-DTWKUNHWSA-N 1 0 297.315 -1.924 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001482097015 892633545 /nfs/dbraw/zinc/63/35/45/892633545.db2.gz NBJLVQMTTRAHDS-UWVGGRQHSA-N 1 0 296.327 -1.814 20 30 CAEDRO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]CC(=O)NCC#N ZINC001482095972 892633617 /nfs/dbraw/zinc/63/36/17/892633617.db2.gz DZSFVCPMFTVXPI-RKDXNWHRSA-N 1 0 297.315 -1.924 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001482097014 892634073 /nfs/dbraw/zinc/63/40/73/892634073.db2.gz NBJLVQMTTRAHDS-NXEZZACHSA-N 1 0 296.327 -1.814 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001482109983 892636219 /nfs/dbraw/zinc/63/62/19/892636219.db2.gz LGASCJIFJZFVST-RYUDHWBXSA-N 1 0 280.372 -1.089 20 30 CAEDRO C[C@H](CNC(=O)C(C)(C)C(N)=O)C[NH2+]CC(=O)NCC#N ZINC001482112495 892636459 /nfs/dbraw/zinc/63/64/59/892636459.db2.gz UPPUUPZTZKKIEM-VIFPVBQESA-N 1 0 297.359 -1.520 20 30 CAEDRO C[C@@H](CNC(=O)C(N)=O)C[NH2+]CC(=O)NCC#N ZINC001482138890 892636592 /nfs/dbraw/zinc/63/65/92/892636592.db2.gz LSLQECUKUONHFN-SSDOTTSWSA-N 1 0 255.278 -2.547 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001482097017 892636676 /nfs/dbraw/zinc/63/66/76/892636676.db2.gz NBJLVQMTTRAHDS-ZJUUUORDSA-N 1 0 296.327 -1.814 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001482129286 892636738 /nfs/dbraw/zinc/63/67/38/892636738.db2.gz ZGYNDPSUFFBASD-JTQLQIEISA-N 1 0 290.389 -1.595 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1COCCO1 ZINC001482258832 892641513 /nfs/dbraw/zinc/64/15/13/892641513.db2.gz DAFWUJCEYGUJJT-WDEREUQCSA-N 1 0 298.343 -1.522 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001482266111 892641901 /nfs/dbraw/zinc/64/19/01/892641901.db2.gz VEGBLIUUSYXQCA-GHMZBOCLSA-N 1 0 294.355 -1.549 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1COCCO1 ZINC001482258820 892642448 /nfs/dbraw/zinc/64/24/48/892642448.db2.gz DAFWUJCEYGUJJT-GHMZBOCLSA-N 1 0 298.343 -1.522 20 30 CAEDRO CCC(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001482264569 892643438 /nfs/dbraw/zinc/64/34/38/892643438.db2.gz ATMMYBOCJOAASK-JTQLQIEISA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001482266112 892645379 /nfs/dbraw/zinc/64/53/79/892645379.db2.gz VEGBLIUUSYXQCA-WDEREUQCSA-N 1 0 294.355 -1.549 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482329415 892646547 /nfs/dbraw/zinc/64/65/47/892646547.db2.gz BFIGUGOEDJVYII-AXFHLTTASA-N 1 0 296.371 -1.154 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001482362395 892648393 /nfs/dbraw/zinc/64/83/93/892648393.db2.gz VNWGPNXFJOAXMY-SNVBAGLBSA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)CC(N)=O)C(C)C ZINC001482517113 892648413 /nfs/dbraw/zinc/64/84/13/892648413.db2.gz GTYFOXYRZHLFJO-GHMZBOCLSA-N 1 0 296.371 -1.270 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001482360704 892648732 /nfs/dbraw/zinc/64/87/32/892648732.db2.gz IIZUTFVKWNOADR-VIFPVBQESA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001482363155 892649134 /nfs/dbraw/zinc/64/91/34/892649134.db2.gz VFWMQSGAZUYWNL-SNVBAGLBSA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001482418730 892649174 /nfs/dbraw/zinc/64/91/74/892649174.db2.gz WJQHQAXOOUAMDO-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1cnn(C)n1 ZINC001482345710 892649829 /nfs/dbraw/zinc/64/98/29/892649829.db2.gz WAGMPDCCPCVRMQ-VIFPVBQESA-N 1 0 293.331 -1.495 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001482337577 892650169 /nfs/dbraw/zinc/65/01/69/892650169.db2.gz ARZIRAATVFKNCC-JQWIXIFHSA-N 1 0 296.371 -1.174 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001482337068 892650189 /nfs/dbraw/zinc/65/01/89/892650189.db2.gz MKQRULHMKQTMQT-JTQLQIEISA-N 1 0 292.339 -1.233 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C(N)=O ZINC001482495111 892650206 /nfs/dbraw/zinc/65/02/06/892650206.db2.gz PYDCFBFXJMMILT-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CNS(=O)(=O)N(C)C ZINC001482336950 892650377 /nfs/dbraw/zinc/65/03/77/892650377.db2.gz FXBRCMHKJJPQAG-SNVBAGLBSA-N 1 0 290.389 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001482355476 892650449 /nfs/dbraw/zinc/65/04/49/892650449.db2.gz VEGBLIUUSYXQCA-QWRGUYRKSA-N 1 0 294.355 -1.549 20 30 CAEDRO COCC#CC[NH2+][C@@H](CNC(=O)C(N)=O)C(C)C ZINC001482550654 892654320 /nfs/dbraw/zinc/65/43/20/892654320.db2.gz IHGGODLIGZSDJV-JTQLQIEISA-N 1 0 255.318 -1.148 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001482688066 892657104 /nfs/dbraw/zinc/65/71/04/892657104.db2.gz QFYVFOJNOYXKQK-VHSXEESVSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccncc1 ZINC001482701009 892657335 /nfs/dbraw/zinc/65/73/35/892657335.db2.gz MLIQKTDAIXTYQB-LBPRGKRZSA-N 1 0 290.323 -1.489 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001482689476 892657461 /nfs/dbraw/zinc/65/74/61/892657461.db2.gz ZUNFWUULHQMKTP-WDEREUQCSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001482688063 892657487 /nfs/dbraw/zinc/65/74/87/892657487.db2.gz QFYVFOJNOYXKQK-NXEZZACHSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)COC ZINC001482698801 892657851 /nfs/dbraw/zinc/65/78/51/892657851.db2.gz NGCJUTLLOHTUQM-VIFPVBQESA-N 1 0 257.290 -2.551 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O ZINC001482703245 892659410 /nfs/dbraw/zinc/65/94/10/892659410.db2.gz UMLJNPCVJUOPON-GXSJLCMTSA-N 1 0 298.343 -2.673 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)F ZINC001482702559 892660389 /nfs/dbraw/zinc/66/03/89/892660389.db2.gz LDRAZMNSYNLKPJ-SECBINFHSA-N 1 0 273.308 -1.449 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CSCC#N ZINC001482710434 892662595 /nfs/dbraw/zinc/66/25/95/892662595.db2.gz YMPUFKRHIKLNDA-MRVPVSSYSA-N 1 0 274.346 -1.944 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001482710223 892664745 /nfs/dbraw/zinc/66/47/45/892664745.db2.gz VBKDGWJVVCTZBF-MNOVXSKESA-N 1 0 298.343 -1.738 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001482710225 892664781 /nfs/dbraw/zinc/66/47/81/892664781.db2.gz VBKDGWJVVCTZBF-WDEREUQCSA-N 1 0 298.343 -1.738 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccn1C ZINC001482710071 892664839 /nfs/dbraw/zinc/66/48/39/892664839.db2.gz YJBJAZAPHMVEFM-NSHDSACASA-N 1 0 292.339 -1.545 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccon1 ZINC001482710809 892666240 /nfs/dbraw/zinc/66/62/40/892666240.db2.gz GSRAOFBZRUGSRD-VIFPVBQESA-N 1 0 282.300 -1.343 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001482712671 892666592 /nfs/dbraw/zinc/66/65/92/892666592.db2.gz MYYPYISYHQBANF-CYBMUJFWSA-N 1 0 294.355 -1.092 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CNC(=O)OC ZINC001482710787 892666753 /nfs/dbraw/zinc/66/67/53/892666753.db2.gz GJMOESDHESSMSY-VIFPVBQESA-N 1 0 257.290 -1.568 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccnn1C ZINC001482714725 892667119 /nfs/dbraw/zinc/66/71/19/892667119.db2.gz XCSFQQNQVIWJNS-JTQLQIEISA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccon1 ZINC001482711197 892667296 /nfs/dbraw/zinc/66/72/96/892667296.db2.gz KYQLCQDTTHKIFX-VHSXEESVSA-N 1 0 294.311 -1.507 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnn1C ZINC001482714228 892667353 /nfs/dbraw/zinc/66/73/53/892667353.db2.gz UDGWXMPKMUNMDD-LLVKDONJSA-N 1 0 280.328 -1.250 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001482712674 892667364 /nfs/dbraw/zinc/66/73/64/892667364.db2.gz MYYPYISYHQBANF-ZDUSSCGKSA-N 1 0 294.355 -1.092 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccnn1C ZINC001482714726 892668471 /nfs/dbraw/zinc/66/84/71/892668471.db2.gz XCSFQQNQVIWJNS-SNVBAGLBSA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001482716221 892669668 /nfs/dbraw/zinc/66/96/68/892669668.db2.gz TWTFQAOTWMOJAW-MRVPVSSYSA-N 1 0 270.289 -3.322 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001482716661 892669955 /nfs/dbraw/zinc/66/99/55/892669955.db2.gz ZGUNVJQZDXDZLP-LLVKDONJSA-N 1 0 293.327 -2.232 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC(N)=O ZINC001482715343 892671246 /nfs/dbraw/zinc/67/12/46/892671246.db2.gz JQDNBLBAMUYFSK-BDAKNGLRSA-N 1 0 284.316 -2.934 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)/C(C)=C\C ZINC001482718627 892671575 /nfs/dbraw/zinc/67/15/75/892671575.db2.gz JWVGDUQDBMRGQV-VQNWOSHQSA-N 1 0 267.329 -1.231 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001482717406 892671930 /nfs/dbraw/zinc/67/19/30/892671930.db2.gz BUQWAQBWQLHOOA-RYUDHWBXSA-N 1 0 271.361 -1.040 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)[nH]1 ZINC001482722626 892672926 /nfs/dbraw/zinc/67/29/26/892672926.db2.gz NTSMUWFYCCYQTI-ZJUUUORDSA-N 1 0 291.311 -1.545 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001482723562 892673043 /nfs/dbraw/zinc/67/30/43/892673043.db2.gz VFBZTMPDJHIMKC-LLVKDONJSA-N 1 0 257.334 -1.429 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001482720240 892673101 /nfs/dbraw/zinc/67/31/01/892673101.db2.gz CGEQNONWQKPFLO-RYUDHWBXSA-N 1 0 297.355 -1.771 20 30 CAEDRO Cc1[nH]ccc1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001482719926 892673249 /nfs/dbraw/zinc/67/32/49/892673249.db2.gz WTXDAKMQLXYQMG-JTQLQIEISA-N 1 0 293.327 -1.357 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnnn1C ZINC001482724230 892673848 /nfs/dbraw/zinc/67/38/48/892673848.db2.gz GYNNQCYHOUCIBX-JTQLQIEISA-N 1 0 281.316 -1.855 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnnn1C ZINC001482724231 892673991 /nfs/dbraw/zinc/67/39/91/892673991.db2.gz GYNNQCYHOUCIBX-SNVBAGLBSA-N 1 0 281.316 -1.855 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001482720241 892674772 /nfs/dbraw/zinc/67/47/72/892674772.db2.gz CGEQNONWQKPFLO-VXGBXAGGSA-N 1 0 297.355 -1.771 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)[nH]1 ZINC001482722624 892675123 /nfs/dbraw/zinc/67/51/23/892675123.db2.gz NTSMUWFYCCYQTI-UWVGGRQHSA-N 1 0 291.311 -1.545 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001482729000 892676105 /nfs/dbraw/zinc/67/61/05/892676105.db2.gz OEPHNWIPKXJXJJ-VIFPVBQESA-N 1 0 253.306 -1.092 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001482728985 892676519 /nfs/dbraw/zinc/67/65/19/892676519.db2.gz KAYZIYLGPBASMH-MNOVXSKESA-N 1 0 256.302 -1.508 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001482727737 892676807 /nfs/dbraw/zinc/67/68/07/892676807.db2.gz QUIVHXWUDSALRL-SECBINFHSA-N 1 0 281.316 -1.608 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001482728016 892677093 /nfs/dbraw/zinc/67/70/93/892677093.db2.gz RYSCQRZKANKUFY-LLVKDONJSA-N 1 0 290.385 -1.243 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001482729700 892677136 /nfs/dbraw/zinc/67/71/36/892677136.db2.gz VDNYEIBNYSGRPN-JTQLQIEISA-N 1 0 298.343 -2.002 20 30 CAEDRO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C#CC2CC2)C1=O ZINC001482728983 892677211 /nfs/dbraw/zinc/67/72/11/892677211.db2.gz OANQFHBUYHBZEW-RYUDHWBXSA-N 1 0 279.340 -1.303 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001482729412 892677282 /nfs/dbraw/zinc/67/72/82/892677282.db2.gz ZPFSMCUIPRVYQM-ZJUUUORDSA-N 1 0 255.318 -1.414 20 30 CAEDRO CS(=O)(=O)CC[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001482728718 892677798 /nfs/dbraw/zinc/67/77/98/892677798.db2.gz MBGGNPMIXXYJHR-LLVKDONJSA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001482736409 892679193 /nfs/dbraw/zinc/67/91/93/892679193.db2.gz WUWHEDIZWCRVKW-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN(C)S(C)(=O)=O ZINC001482736454 892679401 /nfs/dbraw/zinc/67/94/01/892679401.db2.gz XEPWVWGCRVMFLU-VIFPVBQESA-N 1 0 277.346 -2.422 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001482731527 892680379 /nfs/dbraw/zinc/68/03/79/892680379.db2.gz VHKWSMMVLLCGHJ-SCRDCRAPSA-N 1 0 282.340 -1.261 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001482735317 892679950 /nfs/dbraw/zinc/67/99/50/892679950.db2.gz KHKMBGPYBSPDGZ-QMMMGPOBSA-N 1 0 274.284 -1.334 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001482737355 892680057 /nfs/dbraw/zinc/68/00/57/892680057.db2.gz KUDYAOGLZNNRRA-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001482736408 892680217 /nfs/dbraw/zinc/68/02/17/892680217.db2.gz WUWHEDIZWCRVKW-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001482737354 892680562 /nfs/dbraw/zinc/68/05/62/892680562.db2.gz KUDYAOGLZNNRRA-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001482731523 892680582 /nfs/dbraw/zinc/68/05/82/892680582.db2.gz VHKWSMMVLLCGHJ-OBJOEFQTSA-N 1 0 282.340 -1.261 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001482736407 892680797 /nfs/dbraw/zinc/68/07/97/892680797.db2.gz WUWHEDIZWCRVKW-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCNS(C)(=O)=O ZINC001482736274 892680919 /nfs/dbraw/zinc/68/09/19/892680919.db2.gz VQILSRHVLYOFRI-VIFPVBQESA-N 1 0 277.346 -2.374 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001482740598 892683077 /nfs/dbraw/zinc/68/30/77/892683077.db2.gz BNRLVSVWBZCVMS-GWCFXTLKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccsn1 ZINC001482741745 892683131 /nfs/dbraw/zinc/68/31/31/892683131.db2.gz LZPBTEBJACCIHC-SECBINFHSA-N 1 0 296.352 -1.427 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001482739091 892683154 /nfs/dbraw/zinc/68/31/54/892683154.db2.gz GCNLXWHDYZLKGP-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001482740132 892683159 /nfs/dbraw/zinc/68/31/59/892683159.db2.gz QDIQZXGZVSDJPU-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)CNC(C)=O ZINC001482744399 892683558 /nfs/dbraw/zinc/68/35/58/892683558.db2.gz UROLKZCOLBZILZ-NSHDSACASA-N 1 0 298.343 -2.671 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001482740130 892683576 /nfs/dbraw/zinc/68/35/76/892683576.db2.gz QDIQZXGZVSDJPU-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001482749806 892684929 /nfs/dbraw/zinc/68/49/29/892684929.db2.gz DMLJHIUFHPEQOE-JTQLQIEISA-N 1 0 274.284 -1.562 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001482748307 892685275 /nfs/dbraw/zinc/68/52/75/892685275.db2.gz VHRPFCRPSVOCCX-SNVBAGLBSA-N 1 0 294.311 -1.961 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001482749807 892685351 /nfs/dbraw/zinc/68/53/51/892685351.db2.gz DMLJHIUFHPEQOE-SNVBAGLBSA-N 1 0 274.284 -1.562 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001482745099 892685696 /nfs/dbraw/zinc/68/56/96/892685696.db2.gz JQWGUJGCQFSCLW-ZETCQYMHSA-N 1 0 265.260 -1.380 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001482748068 892686853 /nfs/dbraw/zinc/68/68/53/892686853.db2.gz SXUVDWFDWWZOOA-GHMZBOCLSA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482758345 892688335 /nfs/dbraw/zinc/68/83/35/892688335.db2.gz YZEFAVXANHULIB-UWVGGRQHSA-N 1 0 268.317 -1.900 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482757999 892688511 /nfs/dbraw/zinc/68/85/11/892688511.db2.gz UPELTYZCXCQZFL-ZJUUUORDSA-N 1 0 268.317 -1.900 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001482754040 892689280 /nfs/dbraw/zinc/68/92/80/892689280.db2.gz QGBRCHRGSMFFHI-CYBMUJFWSA-N 1 0 294.355 -1.010 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](F)C(C)C ZINC001482758887 892689618 /nfs/dbraw/zinc/68/96/18/892689618.db2.gz LNRRENPHENOGAT-ZYHUDNBSSA-N 1 0 287.335 -1.203 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001482756431 892689742 /nfs/dbraw/zinc/68/97/42/892689742.db2.gz RNABHJGPHVJESM-VIFPVBQESA-N 1 0 296.331 -1.904 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnco1 ZINC001482753748 892689774 /nfs/dbraw/zinc/68/97/74/892689774.db2.gz OKKOKJMSMGSHLO-ZJUUUORDSA-N 1 0 294.311 -1.507 20 30 CAEDRO NC(=O)C(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001482765289 892692542 /nfs/dbraw/zinc/69/25/42/892692542.db2.gz IOHOXDGNIOMNAF-LBPRGKRZSA-N 1 0 293.298 -1.271 20 30 CAEDRO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001482770525 892694126 /nfs/dbraw/zinc/69/41/26/892694126.db2.gz TVQNFKNVENANBR-OLZOCXBDSA-N 1 0 299.371 -1.382 20 30 CAEDRO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001482770526 892694193 /nfs/dbraw/zinc/69/41/93/892694193.db2.gz TVQNFKNVENANBR-QWHCGFSZSA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001482769089 892694418 /nfs/dbraw/zinc/69/44/18/892694418.db2.gz FLKURGMSRJRQGP-QMMMGPOBSA-N 1 0 264.285 -1.573 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001482769618 892694859 /nfs/dbraw/zinc/69/48/59/892694859.db2.gz JHMRHIMWBFLAQI-BBBLOLIVSA-N 1 0 253.302 -1.802 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001482774388 892695729 /nfs/dbraw/zinc/69/57/29/892695729.db2.gz ACZSHIYWEZXKFC-PWSUYJOCSA-N 1 0 288.369 -1.346 20 30 CAEDRO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001482770527 892696050 /nfs/dbraw/zinc/69/60/50/892696050.db2.gz TVQNFKNVENANBR-STQMWFEESA-N 1 0 299.371 -1.382 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001482778808 892698639 /nfs/dbraw/zinc/69/86/39/892698639.db2.gz RUPULDGTGAAJQI-SECBINFHSA-N 1 0 267.289 -1.865 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001482781753 892700483 /nfs/dbraw/zinc/70/04/83/892700483.db2.gz KWVVWZSAOBGAGF-SNVBAGLBSA-N 1 0 253.302 -1.788 20 30 CAEDRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CCOC1 ZINC001482780524 892700560 /nfs/dbraw/zinc/70/05/60/892700560.db2.gz BVWLSHOMMOWPLM-GWCFXTLKSA-N 1 0 298.343 -1.881 20 30 CAEDRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CCOC1 ZINC001482780527 892701878 /nfs/dbraw/zinc/70/18/78/892701878.db2.gz BVWLSHOMMOWPLM-ZWNOBZJWSA-N 1 0 298.343 -1.881 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccncn1 ZINC001482779934 892702221 /nfs/dbraw/zinc/70/22/21/892702221.db2.gz TXPGLIQZWBTIQJ-JTQLQIEISA-N 1 0 291.311 -2.094 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001482793047 892705503 /nfs/dbraw/zinc/70/55/03/892705503.db2.gz MRZHZGLMOXQTPY-NXEZZACHSA-N 1 0 289.357 -2.232 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]cc1C ZINC001482790968 892706343 /nfs/dbraw/zinc/70/63/43/892706343.db2.gz MUAXPEJODKOEOQ-LLVKDONJSA-N 1 0 292.339 -1.247 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001482801573 892708751 /nfs/dbraw/zinc/70/87/51/892708751.db2.gz KJBSSKAFPPXVJX-UWVGGRQHSA-N 1 0 281.312 -1.871 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001482797261 892709221 /nfs/dbraw/zinc/70/92/21/892709221.db2.gz MTYIORNECNWJNF-UWVGGRQHSA-N 1 0 274.342 -1.737 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001482807293 892709344 /nfs/dbraw/zinc/70/93/44/892709344.db2.gz IOIPMIDCDYOLGC-UWVGGRQHSA-N 1 0 297.359 -1.365 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001482795791 892709372 /nfs/dbraw/zinc/70/93/72/892709372.db2.gz WNZDGZLEYNBBCW-NXEZZACHSA-N 1 0 298.343 -1.383 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001482807294 892710070 /nfs/dbraw/zinc/71/00/70/892710070.db2.gz IOIPMIDCDYOLGC-VHSXEESVSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001482801572 892710283 /nfs/dbraw/zinc/71/02/83/892710283.db2.gz KJBSSKAFPPXVJX-NXEZZACHSA-N 1 0 281.312 -1.871 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cnnn1C ZINC001482829327 892711723 /nfs/dbraw/zinc/71/17/23/892711723.db2.gz ZRQCIANJLCHURR-SECBINFHSA-N 1 0 293.331 -1.447 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001482861720 892712013 /nfs/dbraw/zinc/71/20/13/892712013.db2.gz YKUBWJJPYRKLEJ-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C(C)(C)C(N)=O ZINC001482931256 892714349 /nfs/dbraw/zinc/71/43/49/892714349.db2.gz HHAAPCJPQDNKGX-UHFFFAOYSA-N 1 0 297.359 -1.424 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)CN(C)C(C)=O ZINC001482910931 892714778 /nfs/dbraw/zinc/71/47/78/892714778.db2.gz ILPHHILBZDUMBJ-UHFFFAOYSA-N 1 0 296.371 -1.348 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1COCCO1 ZINC001482922966 892715277 /nfs/dbraw/zinc/71/52/77/892715277.db2.gz ZIZXQDUZGGEKBX-LLVKDONJSA-N 1 0 298.343 -1.520 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1nc[nH]n1 ZINC001482892029 892716165 /nfs/dbraw/zinc/71/61/65/892716165.db2.gz OBZZGYWCZOMYDU-VIFPVBQESA-N 1 0 293.331 -1.529 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cnon1 ZINC001482957294 892719446 /nfs/dbraw/zinc/71/94/46/892719446.db2.gz YABQCEXUTJFUNU-UHFFFAOYSA-N 1 0 279.300 -1.129 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CN(C)C(=O)COC ZINC001483015731 892720987 /nfs/dbraw/zinc/72/09/87/892720987.db2.gz NPIGKCGECFQRNI-AATRIKPKSA-N 1 0 267.329 -1.014 20 30 CAEDRO NC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C#CC1CC1 ZINC001483007636 892721173 /nfs/dbraw/zinc/72/11/73/892721173.db2.gz MPKZLIPXSIURIN-UPHRSURJSA-N 1 0 278.312 -1.143 20 30 CAEDRO NC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C#CC1CC1 ZINC001483007632 892721512 /nfs/dbraw/zinc/72/15/12/892721512.db2.gz MPKZLIPXSIURIN-OWOJBTEDSA-N 1 0 278.312 -1.143 20 30 CAEDRO Cn1cnc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)n1 ZINC001483003505 892722196 /nfs/dbraw/zinc/72/21/96/892722196.db2.gz IDIQYLUFUFREHF-IHWYPQMZSA-N 1 0 291.315 -1.670 20 30 CAEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483066317 892724131 /nfs/dbraw/zinc/72/41/31/892724131.db2.gz UIKLFTWOJHTFEY-LWTINBJPSA-N 1 0 278.312 -1.130 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC=CCNC(=O)c1cn[nH]n1 ZINC001483031863 892726586 /nfs/dbraw/zinc/72/65/86/892726586.db2.gz MCDKVYFARJYOSR-OWOJBTEDSA-N 1 0 277.288 -1.680 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CN1C(=O)CN(C)C1=O ZINC001483090650 892728293 /nfs/dbraw/zinc/72/82/93/892728293.db2.gz ABUODKPCMXEMBM-SNAWJCMRSA-N 1 0 278.312 -1.224 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCn1cncn1 ZINC001483109443 892728387 /nfs/dbraw/zinc/72/83/87/892728387.db2.gz YMPDKJYNKUYBJV-LLVKDONJSA-N 1 0 292.343 -1.488 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001483096143 892730418 /nfs/dbraw/zinc/73/04/18/892730418.db2.gz JGTBGOBNELWCKE-UMBAGQNISA-N 1 0 271.342 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001483124654 892731583 /nfs/dbraw/zinc/73/15/83/892731583.db2.gz OUKNDKGKKXSZLN-BDAKNGLRSA-N 1 0 282.300 -2.062 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001483123574 892731636 /nfs/dbraw/zinc/73/16/36/892731636.db2.gz HNJOSCIBABMSQX-UTLUCORTSA-N 1 0 299.375 -1.172 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC(C)(C)O ZINC001483122657 892733604 /nfs/dbraw/zinc/73/36/04/892733604.db2.gz LXHGQPFTLRXRDQ-SNVBAGLBSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001483166402 892735765 /nfs/dbraw/zinc/73/57/65/892735765.db2.gz OCIJYIPRAOCACC-MRVPVSSYSA-N 1 0 299.356 -1.212 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483164288 892736149 /nfs/dbraw/zinc/73/61/49/892736149.db2.gz XFMMEMWOEGNHTQ-NXEZZACHSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001483145031 892737089 /nfs/dbraw/zinc/73/70/89/892737089.db2.gz UNHYQFOJTKKFKN-LLVKDONJSA-N 1 0 266.345 -1.512 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483162279 892737364 /nfs/dbraw/zinc/73/73/64/892737364.db2.gz NXNZSIDLQSIOLK-BDAKNGLRSA-N 1 0 281.316 -2.489 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCO1 ZINC001483206675 892740282 /nfs/dbraw/zinc/74/02/82/892740282.db2.gz LKPHHGMZRLRRRO-VHSXEESVSA-N 1 0 268.317 -1.101 20 30 CAEDRO CC(C)C#CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001483224680 892742494 /nfs/dbraw/zinc/74/24/94/892742494.db2.gz NHCKISIYGNMCDX-VIFPVBQESA-N 1 0 268.317 -1.065 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cncn1 ZINC001483290956 892751987 /nfs/dbraw/zinc/75/19/87/892751987.db2.gz SNKIJUQLIGRRCL-QWRGUYRKSA-N 1 0 292.343 -1.490 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001483290525 892752036 /nfs/dbraw/zinc/75/20/36/892752036.db2.gz KKQXMWIVUSLTFU-QMMMGPOBSA-N 1 0 254.290 -1.182 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@]1(C)CCNC1=O ZINC001483265173 892752061 /nfs/dbraw/zinc/75/20/61/892752061.db2.gz PNIFTAFOXOKUOB-TVQRCGJNSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001483278036 892752748 /nfs/dbraw/zinc/75/27/48/892752748.db2.gz PSWZXOSMLWEPQF-JTQLQIEISA-N 1 0 277.328 -1.204 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001483321908 892755589 /nfs/dbraw/zinc/75/55/89/892755589.db2.gz NGCVSGMGHOKVHU-SNVBAGLBSA-N 1 0 255.318 -1.052 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)C(N)=O ZINC001483489191 892763328 /nfs/dbraw/zinc/76/33/28/892763328.db2.gz PHSWBUFMYYHCOL-UHFFFAOYSA-N 1 0 255.278 -2.450 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CCNS(C)(=O)=O ZINC001483469677 892765012 /nfs/dbraw/zinc/76/50/12/892765012.db2.gz VPCMTTLAGCMDQX-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001483420373 892765362 /nfs/dbraw/zinc/76/53/62/892765362.db2.gz IBZDXJQIZZPERQ-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001483495699 892766754 /nfs/dbraw/zinc/76/67/54/892766754.db2.gz HSNRECOELGZCNO-NSHDSACASA-N 1 0 282.344 -1.562 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1cnn(C)n1 ZINC001483498292 892766854 /nfs/dbraw/zinc/76/68/54/892766854.db2.gz UVAHAWFLMOQXFS-UHFFFAOYSA-N 1 0 293.331 -1.493 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)COC)C1CC1 ZINC001483535412 892766924 /nfs/dbraw/zinc/76/69/24/892766924.db2.gz HCQADAKBZWQKSC-LLVKDONJSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1cn[nH]n1)C1CC1 ZINC001483570528 892770036 /nfs/dbraw/zinc/77/00/36/892770036.db2.gz KWNPGZRVYGABRQ-SNVBAGLBSA-N 1 0 290.327 -1.348 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)C1CC1 ZINC001483569564 892770466 /nfs/dbraw/zinc/77/04/66/892770466.db2.gz AWASPBFUZPGEMM-CYBMUJFWSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)CN1CCN(C)C(=O)C1)C1CC1 ZINC001483569565 892770717 /nfs/dbraw/zinc/77/07/17/892770717.db2.gz AWASPBFUZPGEMM-ZDUSSCGKSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)c1cn[nH]n1)C1CC1 ZINC001483570527 892771424 /nfs/dbraw/zinc/77/14/24/892771424.db2.gz KWNPGZRVYGABRQ-JTQLQIEISA-N 1 0 290.327 -1.348 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001483722890 892785142 /nfs/dbraw/zinc/78/51/42/892785142.db2.gz YJNJMMQBWORJAG-SECBINFHSA-N 1 0 280.328 -1.762 20 30 CAEDRO C=CCOCC(=O)NCC1([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001483722280 892785432 /nfs/dbraw/zinc/78/54/32/892785432.db2.gz UJOMWSNXRBFCDX-UHFFFAOYSA-N 1 0 298.343 -1.117 20 30 CAEDRO C=C(C)C[NH2+]C1(CNC(=O)CNS(=O)(=O)NC)CC1 ZINC001483755582 892785504 /nfs/dbraw/zinc/78/55/04/892785504.db2.gz WSEJYFDZJSJTAQ-UHFFFAOYSA-N 1 0 290.389 -1.145 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCOC2)CC1 ZINC001483719698 892785523 /nfs/dbraw/zinc/78/55/23/892785523.db2.gz RLGLJKSHAMWHKC-JTQLQIEISA-N 1 0 280.328 -1.099 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001483723209 892786810 /nfs/dbraw/zinc/78/68/10/892786810.db2.gz JAFLFJNUWHFQIR-SSDOTTSWSA-N 1 0 267.289 -1.421 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001483763551 892789186 /nfs/dbraw/zinc/78/91/86/892789186.db2.gz KDTUWZBHUMIMFP-QMMMGPOBSA-N 1 0 266.301 -2.152 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)CC(N)=O)CC1 ZINC001483758948 892791010 /nfs/dbraw/zinc/79/10/10/892791010.db2.gz RIJKGXVSWFERLK-JTQLQIEISA-N 1 0 294.355 -1.514 20 30 CAEDRO CN(C(=O)CC[NH+](C)C)C1CN(CC(=O)NCC#N)C1 ZINC001483877335 892792105 /nfs/dbraw/zinc/79/21/05/892792105.db2.gz PRJMZGWHGOBECN-UHFFFAOYSA-N 1 0 281.360 -1.280 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483946995 892794826 /nfs/dbraw/zinc/79/48/26/892794826.db2.gz WBARVZNGBKJWPR-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001484021762 892795106 /nfs/dbraw/zinc/79/51/06/892795106.db2.gz FSTNTFUEFARFOG-AWEZNQCLSA-N 1 0 292.383 -1.026 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001483942735 892796546 /nfs/dbraw/zinc/79/65/46/892796546.db2.gz QNDLDFREKTVCNK-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001484110786 892799669 /nfs/dbraw/zinc/79/96/69/892799669.db2.gz OWEASEMICWUMRI-YGRLFVJLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001484053197 892801090 /nfs/dbraw/zinc/80/10/90/892801090.db2.gz AOQUYWDCAHYGEW-LLVKDONJSA-N 1 0 290.389 -1.193 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001484110783 892802714 /nfs/dbraw/zinc/80/27/14/892802714.db2.gz OWEASEMICWUMRI-HZMBPMFUSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001484225023 892814584 /nfs/dbraw/zinc/81/45/84/892814584.db2.gz MMUOJMVOJMRYRL-BXUZGUMPSA-N 1 0 279.340 -1.159 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484233513 892815563 /nfs/dbraw/zinc/81/55/63/892815563.db2.gz FZLSIYUVPREWLA-GFCCVEGCSA-N 1 0 267.329 -1.009 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001484228196 892816933 /nfs/dbraw/zinc/81/69/33/892816933.db2.gz CUWIJFPPOQXGIY-MFKMUULPSA-N 1 0 265.313 -1.691 20 30 CAEDRO C=CCC[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001484230521 892817821 /nfs/dbraw/zinc/81/78/21/892817821.db2.gz HVSZGDRYYGIZNH-GFCCVEGCSA-N 1 0 280.332 -1.047 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001484228195 892818801 /nfs/dbraw/zinc/81/88/01/892818801.db2.gz CUWIJFPPOQXGIY-GXFFZTMASA-N 1 0 265.313 -1.691 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001484243607 892819775 /nfs/dbraw/zinc/81/97/75/892819775.db2.gz YTFLQQXGDVYRFM-ZDUSSCGKSA-N 1 0 292.343 -1.361 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001484254237 892821235 /nfs/dbraw/zinc/82/12/35/892821235.db2.gz IBNBXIFEJFYJKY-HZMBPMFUSA-N 1 0 295.339 -1.222 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001484242667 892821400 /nfs/dbraw/zinc/82/14/00/892821400.db2.gz KUAZVJNIWRTONX-CQSZACIVSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001484245712 892822367 /nfs/dbraw/zinc/82/23/67/892822367.db2.gz VUQFQZAZMBPZGR-ZDUSSCGKSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001484245711 892823630 /nfs/dbraw/zinc/82/36/30/892823630.db2.gz VUQFQZAZMBPZGR-CYBMUJFWSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001484238905 892826530 /nfs/dbraw/zinc/82/65/30/892826530.db2.gz MZLLHOOXNQMSIP-AAEUAGOBSA-N 1 0 270.329 -1.166 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001484254239 892828841 /nfs/dbraw/zinc/82/88/41/892828841.db2.gz IBNBXIFEJFYJKY-QMTHXVAHSA-N 1 0 295.339 -1.222 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001484254348 892830737 /nfs/dbraw/zinc/83/07/37/892830737.db2.gz JBULNQUYGFSMAO-SMDDNHRTSA-N 1 0 294.355 -1.284 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001484383367 892851636 /nfs/dbraw/zinc/85/16/36/892851636.db2.gz VFJMLVSLIYPKQW-MNOVXSKESA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001484372344 892852254 /nfs/dbraw/zinc/85/22/54/892852254.db2.gz BQYFEGUAWUGUBP-QWHCGFSZSA-N 1 0 292.383 -1.265 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001484344447 892852301 /nfs/dbraw/zinc/85/23/01/892852301.db2.gz VZEJQRXQIVPNMQ-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO N#CCNC1CC[NH+](CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001484421929 892856534 /nfs/dbraw/zinc/85/65/34/892856534.db2.gz YXUKIMFFKRHDDV-NSHDSACASA-N 1 0 294.359 -1.638 20 30 CAEDRO C#CC[NH2+]C1CCN(CCNC(=O)Cn2cnnn2)CC1 ZINC001484416308 892858025 /nfs/dbraw/zinc/85/80/25/892858025.db2.gz JDSQGRLBNSXDIM-UHFFFAOYSA-N 1 0 291.359 -1.524 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)CC(N)=O ZINC001484478747 892861226 /nfs/dbraw/zinc/86/12/26/892861226.db2.gz AKKWNULNGOBNRN-UHFFFAOYSA-N 1 0 271.317 -2.078 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+]Cc1cnnn1C ZINC001484478090 892862258 /nfs/dbraw/zinc/86/22/58/892862258.db2.gz GKFVCFSPMNREAW-JTQLQIEISA-N 1 0 280.332 -1.115 20 30 CAEDRO CC(C)C#CC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001484481099 892867400 /nfs/dbraw/zinc/86/74/00/892867400.db2.gz DBMGOSKHDZLGMU-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1nnn(C)n1 ZINC001484490456 892867556 /nfs/dbraw/zinc/86/75/56/892867556.db2.gz DAUFQGISCOSBFQ-UHFFFAOYSA-N 1 0 252.278 -2.133 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1ncn(C)n1 ZINC001484481525 892868947 /nfs/dbraw/zinc/86/89/47/892868947.db2.gz RGAQUUXAPVDGPI-UHFFFAOYSA-N 1 0 295.343 -1.511 20 30 CAEDRO CC(C)C#CC(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O ZINC001484481490 892869146 /nfs/dbraw/zinc/86/91/46/892869146.db2.gz QRLUWBDGMFTEME-NSHDSACASA-N 1 0 269.345 -1.070 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)NC(N)=O ZINC001484482947 892869777 /nfs/dbraw/zinc/86/97/77/892869777.db2.gz TVFNWSZWJMLSNY-JTQLQIEISA-N 1 0 270.333 -1.523 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001484501154 892871290 /nfs/dbraw/zinc/87/12/90/892871290.db2.gz MVWLRWWKEATMLI-JTQLQIEISA-N 1 0 289.357 -2.278 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001484495724 892871086 /nfs/dbraw/zinc/87/10/86/892871086.db2.gz RFRPPKGTHLUGLR-UHFFFAOYSA-N 1 0 290.385 -1.147 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001484493770 892872024 /nfs/dbraw/zinc/87/20/24/892872024.db2.gz WXNHOPZYAYWSII-SNVBAGLBSA-N 1 0 268.317 -1.898 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)Cn1cncn1 ZINC001484500205 892872287 /nfs/dbraw/zinc/87/22/87/892872287.db2.gz LTSROMUXAZYLLJ-UHFFFAOYSA-N 1 0 265.317 -1.288 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001484493961 892872536 /nfs/dbraw/zinc/87/25/36/892872536.db2.gz ZLAXCHKGGAYHGD-LLVKDONJSA-N 1 0 298.343 -2.272 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001484495351 892873339 /nfs/dbraw/zinc/87/33/39/892873339.db2.gz JUQWNTZRBZJPLP-JTQLQIEISA-N 1 0 296.327 -1.982 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001484501155 892873429 /nfs/dbraw/zinc/87/34/29/892873429.db2.gz MVWLRWWKEATMLI-SNVBAGLBSA-N 1 0 289.357 -2.278 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1 ZINC001484499100 892873932 /nfs/dbraw/zinc/87/39/32/892873932.db2.gz IYKTVNAKCQTPHH-NSHDSACASA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001484536981 892877476 /nfs/dbraw/zinc/87/74/76/892877476.db2.gz VSRUXHVSJVHBBI-QWRGUYRKSA-N 1 0 294.355 -1.562 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001484667644 892879615 /nfs/dbraw/zinc/87/96/15/892879615.db2.gz FKEZUQKOVXIYDW-NSHDSACASA-N 1 0 288.369 -1.129 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001484681172 892883984 /nfs/dbraw/zinc/88/39/84/892883984.db2.gz UJTLQCLZRDXJFA-UWVGGRQHSA-N 1 0 294.311 -1.965 20 30 CAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001484688655 892885008 /nfs/dbraw/zinc/88/50/08/892885008.db2.gz LCCCYHOCLWMOHU-VIFPVBQESA-N 1 0 266.305 -1.173 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001484684564 892885336 /nfs/dbraw/zinc/88/53/36/892885336.db2.gz FIFGGHCZRTUFNT-JTQLQIEISA-N 1 0 276.296 -1.166 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484671035 892885927 /nfs/dbraw/zinc/88/59/27/892885927.db2.gz KWLSIKOSGAMNRW-GHMZBOCLSA-N 1 0 293.327 -1.397 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001484688312 892885964 /nfs/dbraw/zinc/88/59/64/892885964.db2.gz VIOMNXJGXAWUQM-MRVPVSSYSA-N 1 0 283.288 -3.072 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CCO1 ZINC001484700066 892890408 /nfs/dbraw/zinc/89/04/08/892890408.db2.gz XAYBLAPBIASYRE-SNVBAGLBSA-N 1 0 291.373 -1.461 20 30 CAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CCO1 ZINC001484700064 892891411 /nfs/dbraw/zinc/89/14/11/892891411.db2.gz XAYBLAPBIASYRE-JTQLQIEISA-N 1 0 291.373 -1.461 20 30 CAEDRO CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCOCC1 ZINC001484854878 892894665 /nfs/dbraw/zinc/89/46/65/892894665.db2.gz GRHHHENZGGHQHE-UHFFFAOYSA-N 1 0 268.317 -1.099 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001484906084 892897129 /nfs/dbraw/zinc/89/71/29/892897129.db2.gz JDAHOIGHRRQLAE-VHSXEESVSA-N 1 0 273.358 -1.395 20 30 CAEDRO C#CCOCCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001484952632 892897340 /nfs/dbraw/zinc/89/73/40/892897340.db2.gz JCQUCGTXLPHJIH-UHFFFAOYSA-N 1 0 297.355 -1.545 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001484897998 892897957 /nfs/dbraw/zinc/89/79/57/892897957.db2.gz SXKBVEKQQMFTJF-BDAKNGLRSA-N 1 0 268.317 -1.790 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001484906086 892898559 /nfs/dbraw/zinc/89/85/59/892898559.db2.gz JDAHOIGHRRQLAE-ZJUUUORDSA-N 1 0 273.358 -1.395 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC1(NC(=O)C(N)=O)CCOCC1 ZINC001484867586 892898960 /nfs/dbraw/zinc/89/89/60/892898960.db2.gz JSAVCNFFWYMVQQ-UHFFFAOYSA-N 1 0 298.343 -1.971 20 30 CAEDRO C#CCC[NH+]1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001485018366 892902625 /nfs/dbraw/zinc/90/26/25/892902625.db2.gz FJTGWWQDTLGNFD-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485130515 892907547 /nfs/dbraw/zinc/90/75/47/892907547.db2.gz RGUKVDKVNVBGBW-UWVGGRQHSA-N 1 0 297.359 -1.365 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC(N)=O ZINC001485134187 892909056 /nfs/dbraw/zinc/90/90/56/892909056.db2.gz ZGOSAWZLKRMQHL-UWVGGRQHSA-N 1 0 255.318 -1.006 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001485162009 892909169 /nfs/dbraw/zinc/90/91/69/892909169.db2.gz DOGWCZQOENQHGC-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC(N)=O ZINC001485134189 892910616 /nfs/dbraw/zinc/91/06/16/892910616.db2.gz ZGOSAWZLKRMQHL-ZJUUUORDSA-N 1 0 255.318 -1.006 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(N)=O ZINC001485134188 892911462 /nfs/dbraw/zinc/91/14/62/892911462.db2.gz ZGOSAWZLKRMQHL-VHSXEESVSA-N 1 0 255.318 -1.006 20 30 CAEDRO C[C@H](NC(=O)c1cnon1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485203264 892912804 /nfs/dbraw/zinc/91/28/04/892912804.db2.gz BTSVSXOJEXQKOU-YUMQZZPRSA-N 1 0 280.288 -1.194 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001485230318 892913510 /nfs/dbraw/zinc/91/35/10/892913510.db2.gz SKTCXHNGXVIRAQ-BDAKNGLRSA-N 1 0 278.316 -1.507 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001485230319 892914227 /nfs/dbraw/zinc/91/42/27/892914227.db2.gz SKTCXHNGXVIRAQ-DTWKUNHWSA-N 1 0 278.316 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001485198725 892914306 /nfs/dbraw/zinc/91/43/06/892914306.db2.gz KZGQCFXTSJHRAL-ZJUUUORDSA-N 1 0 292.343 -1.339 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001485299934 892917313 /nfs/dbraw/zinc/91/73/13/892917313.db2.gz MZXIXAMCPWFUTC-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001485390201 892923103 /nfs/dbraw/zinc/92/31/03/892923103.db2.gz XQEWUPHLBYCHAY-SECBINFHSA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001485357717 892924729 /nfs/dbraw/zinc/92/47/29/892924729.db2.gz UFBOCJGFWGAROQ-SNVBAGLBSA-N 1 0 292.339 -1.233 20 30 CAEDRO C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646594 892938068 /nfs/dbraw/zinc/93/80/68/892938068.db2.gz ZNKCDCBYWZSQPZ-IUCAKERBSA-N 1 0 297.315 -2.683 20 30 CAEDRO C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485646593 892940165 /nfs/dbraw/zinc/94/01/65/892940165.db2.gz ZNKCDCBYWZSQPZ-DTWKUNHWSA-N 1 0 297.315 -2.683 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)CN1C(=O)CNC1=O ZINC001485776477 892941388 /nfs/dbraw/zinc/94/13/88/892941388.db2.gz STDOPNAVQJOLJR-UHFFFAOYSA-N 1 0 296.327 -1.764 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001485693977 892943865 /nfs/dbraw/zinc/94/38/65/892943865.db2.gz UJAPYVXIYIATFA-XYPYZODXSA-N 1 0 292.343 -1.042 20 30 CAEDRO CC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485841451 892947405 /nfs/dbraw/zinc/94/74/05/892947405.db2.gz AWXCRNOMUWICTC-SECBINFHSA-N 1 0 283.332 -1.801 20 30 CAEDRO CC(=O)NCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485841452 892948835 /nfs/dbraw/zinc/94/88/35/892948835.db2.gz AWXCRNOMUWICTC-VIFPVBQESA-N 1 0 283.332 -1.801 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485844080 892949243 /nfs/dbraw/zinc/94/92/43/892949243.db2.gz DTWNGDJPVIWGGT-NSHDSACASA-N 1 0 280.332 -1.241 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCNC1=O ZINC001485908828 892952073 /nfs/dbraw/zinc/95/20/73/892952073.db2.gz BZYUVJCLHKBBPH-MNOVXSKESA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cn[nH]n1 ZINC001485894054 892952166 /nfs/dbraw/zinc/95/21/66/892952166.db2.gz QEXPSEISUQTYTD-VHSXEESVSA-N 1 0 292.343 -1.007 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CCNS(C)(=O)=O ZINC001485884092 892952514 /nfs/dbraw/zinc/95/25/14/892952514.db2.gz ZKVWFYUQBCFFEY-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485924371 892952840 /nfs/dbraw/zinc/95/28/40/892952840.db2.gz ZQDSAGYZQSUQRT-AXFHLTTASA-N 1 0 296.371 -1.154 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cn[nH]n1 ZINC001485894039 892953028 /nfs/dbraw/zinc/95/30/28/892953028.db2.gz QEXPSEISUQTYTD-NXEZZACHSA-N 1 0 292.343 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1nc[nH]n1 ZINC001485932975 892955208 /nfs/dbraw/zinc/95/52/08/892955208.db2.gz GIPKEVBVQGVVDI-SECBINFHSA-N 1 0 278.316 -1.396 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001485930415 892955705 /nfs/dbraw/zinc/95/57/05/892955705.db2.gz QYBUWRRFFMAZNE-JQWIXIFHSA-N 1 0 296.371 -1.174 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001485954351 892956257 /nfs/dbraw/zinc/95/62/57/892956257.db2.gz OGALUMTYUSYTFC-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO CC[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974453 892958520 /nfs/dbraw/zinc/95/85/20/892958520.db2.gz DCAPRZIXHXVISY-VHSXEESVSA-N 1 0 270.333 -1.261 20 30 CAEDRO Cc1ccoc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974185 892958751 /nfs/dbraw/zinc/95/87/51/892958751.db2.gz XLKRYLOFFFUFRP-JTQLQIEISA-N 1 0 294.311 -1.092 20 30 CAEDRO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974751 892958949 /nfs/dbraw/zinc/95/89/49/892958949.db2.gz JKWYMACEBTVSBT-JTQLQIEISA-N 1 0 299.331 -2.829 20 30 CAEDRO Cn1cccc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974455 892959642 /nfs/dbraw/zinc/95/96/42/892959642.db2.gz DCCRFMAPTVWXIO-JTQLQIEISA-N 1 0 293.327 -1.655 20 30 CAEDRO Cn1cccc1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974456 892960018 /nfs/dbraw/zinc/96/00/18/892960018.db2.gz DCCRFMAPTVWXIO-SNVBAGLBSA-N 1 0 293.327 -1.655 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccoc1 ZINC001485973625 892960140 /nfs/dbraw/zinc/96/01/40/892960140.db2.gz PUCFEFUHMOFMRL-JTQLQIEISA-N 1 0 280.284 -1.400 20 30 CAEDRO Cc1ccoc1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974186 892960164 /nfs/dbraw/zinc/96/01/64/892960164.db2.gz XLKRYLOFFFUFRP-SNVBAGLBSA-N 1 0 294.311 -1.092 20 30 CAEDRO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974752 892960366 /nfs/dbraw/zinc/96/03/66/892960366.db2.gz JKWYMACEBTVSBT-SNVBAGLBSA-N 1 0 299.331 -2.829 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001485973022 892961861 /nfs/dbraw/zinc/96/18/61/892961861.db2.gz QNVFULCONJCLNX-WDEREUQCSA-N 1 0 283.328 -2.019 20 30 CAEDRO CS[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485976348 892964480 /nfs/dbraw/zinc/96/44/80/892964480.db2.gz KMXCIVYJBAXDCZ-DTWKUNHWSA-N 1 0 288.373 -1.556 20 30 CAEDRO CS[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485976350 892965405 /nfs/dbraw/zinc/96/54/05/892965405.db2.gz KMXCIVYJBAXDCZ-RKDXNWHRSA-N 1 0 288.373 -1.556 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001485983363 892968161 /nfs/dbraw/zinc/96/81/61/892968161.db2.gz SZMDSUZUHXLEIM-GHMZBOCLSA-N 1 0 298.343 -1.928 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nnn(C)c1C ZINC001485982039 892968235 /nfs/dbraw/zinc/96/82/35/892968235.db2.gz IJMCEAFXQLXANE-JTQLQIEISA-N 1 0 265.317 -1.173 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncoc1C ZINC001485980563 892968605 /nfs/dbraw/zinc/96/86/05/892968605.db2.gz RFPYDQHZTSZYCE-SNVBAGLBSA-N 1 0 294.311 -1.587 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1nccnc1N ZINC001485982290 892968881 /nfs/dbraw/zinc/96/88/81/892968881.db2.gz KKOOUFKAYXYULN-QMMMGPOBSA-N 1 0 251.290 -1.075 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001485980577 892969328 /nfs/dbraw/zinc/96/93/28/892969328.db2.gz WFIFUKGPLMOPSN-IUCAKERBSA-N 1 0 292.361 -2.238 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001485987587 892971408 /nfs/dbraw/zinc/97/14/08/892971408.db2.gz PXAZTXMPAWSFET-RYUDHWBXSA-N 1 0 297.355 -1.628 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H](CO)[NH2+]CCCO)c1 ZINC001485984888 892972445 /nfs/dbraw/zinc/97/24/45/892972445.db2.gz ULHVQXKYXXOERC-SNVBAGLBSA-N 1 0 266.301 -1.051 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001485987586 892973730 /nfs/dbraw/zinc/97/37/30/892973730.db2.gz PXAZTXMPAWSFET-NWDGAFQWSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001486000586 892976129 /nfs/dbraw/zinc/97/61/29/892976129.db2.gz AJFFPDOLTUYMOO-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001486000588 892976351 /nfs/dbraw/zinc/97/63/51/892976351.db2.gz AJFFPDOLTUYMOO-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001485997858 892976831 /nfs/dbraw/zinc/97/68/31/892976831.db2.gz AYLCYLPRRXREIO-VXGBXAGGSA-N 1 0 299.371 -1.382 20 30 CAEDRO CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001485997853 892976732 /nfs/dbraw/zinc/97/67/32/892976732.db2.gz AYLCYLPRRXREIO-NEPJUHHUSA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CO[C@@H]1CCOC1 ZINC001485994501 892976965 /nfs/dbraw/zinc/97/69/65/892976965.db2.gz GAOBWMOQGGTRKG-WDEREUQCSA-N 1 0 256.302 -1.508 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001485996304 892977003 /nfs/dbraw/zinc/97/70/03/892977003.db2.gz VOTMIYWQSOFLHS-GFCCVEGCSA-N 1 0 279.340 -1.231 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1 ZINC001485998200 892977415 /nfs/dbraw/zinc/97/74/15/892977415.db2.gz FBUKHDSRPDMFJZ-LLVKDONJSA-N 1 0 280.328 -1.003 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001486000773 892977566 /nfs/dbraw/zinc/97/75/66/892977566.db2.gz BSPAVQFZJUWKSE-NEPJUHHUSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CO[C@@H]1CCOC1 ZINC001485994495 892978281 /nfs/dbraw/zinc/97/82/81/892978281.db2.gz GAOBWMOQGGTRKG-GHMZBOCLSA-N 1 0 256.302 -1.508 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001486003807 892979957 /nfs/dbraw/zinc/97/99/57/892979957.db2.gz BTMCQZYSXXARBM-IUCAKERBSA-N 1 0 284.316 -1.773 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CN(C)S(C)(=O)=O ZINC001486002165 892980631 /nfs/dbraw/zinc/98/06/31/892980631.db2.gz MGDKBMVLQPQLRY-SNVBAGLBSA-N 1 0 293.389 -1.479 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001486013938 892981650 /nfs/dbraw/zinc/98/16/50/892981650.db2.gz DQPIOXMRVJWIPG-CHWSQXEVSA-N 1 0 281.356 -1.055 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cncn1C ZINC001486012848 892981724 /nfs/dbraw/zinc/98/17/24/892981724.db2.gz JXDBVMHKRVTEQK-NSHDSACASA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001486015381 892984129 /nfs/dbraw/zinc/98/41/29/892984129.db2.gz UYBGCXDQDGLSEK-JTQLQIEISA-N 1 0 263.297 -1.301 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001486022765 892986325 /nfs/dbraw/zinc/98/63/25/892986325.db2.gz JANJZKQTOYOVJO-NXEZZACHSA-N 1 0 255.318 -1.412 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001486022316 892986757 /nfs/dbraw/zinc/98/67/57/892986757.db2.gz AEHQBOMBSKDNLQ-ZJUUUORDSA-N 1 0 298.343 -2.509 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001486022315 892986878 /nfs/dbraw/zinc/98/68/78/892986878.db2.gz AEHQBOMBSKDNLQ-VHSXEESVSA-N 1 0 298.343 -2.509 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001486022314 892987887 /nfs/dbraw/zinc/98/78/87/892987887.db2.gz AEHQBOMBSKDNLQ-UWVGGRQHSA-N 1 0 298.343 -2.509 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001486022313 892988052 /nfs/dbraw/zinc/98/80/52/892988052.db2.gz AEHQBOMBSKDNLQ-NXEZZACHSA-N 1 0 298.343 -2.509 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001486030362 892989445 /nfs/dbraw/zinc/98/94/45/892989445.db2.gz SJJFUUAIFKZXDN-VIFPVBQESA-N 1 0 264.285 -1.527 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)COC ZINC001486255729 893018793 /nfs/dbraw/zinc/01/87/93/893018793.db2.gz QVHMTNWCSQGJCK-NSHDSACASA-N 1 0 258.318 -1.309 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1conc1C ZINC001486029552 892990304 /nfs/dbraw/zinc/99/03/04/892990304.db2.gz BDBZQSGCHUYUCW-SNVBAGLBSA-N 1 0 294.311 -1.587 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001486026513 892990359 /nfs/dbraw/zinc/99/03/59/892990359.db2.gz FUYHXLLEVLYSHQ-NWDGAFQWSA-N 1 0 297.355 -1.819 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001486026515 892991088 /nfs/dbraw/zinc/99/10/88/892991088.db2.gz FUYHXLLEVLYSHQ-VXGBXAGGSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1conc1C ZINC001486029551 892991137 /nfs/dbraw/zinc/99/11/37/892991137.db2.gz BDBZQSGCHUYUCW-JTQLQIEISA-N 1 0 294.311 -1.587 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001486026664 892991925 /nfs/dbraw/zinc/99/19/25/892991925.db2.gz VFKXLNDJDWHXDI-GFCCVEGCSA-N 1 0 281.312 -1.066 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@@H](CO)[NH2+]CCO)c1 ZINC001486035454 892992909 /nfs/dbraw/zinc/99/29/09/892992909.db2.gz ZXGGGDLVKPKSQF-LBPRGKRZSA-N 1 0 263.297 -1.265 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001486035951 892993199 /nfs/dbraw/zinc/99/31/99/892993199.db2.gz CQXZNJNVICCMFR-SNVBAGLBSA-N 1 0 290.323 -1.198 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001486033803 892993817 /nfs/dbraw/zinc/99/38/17/892993817.db2.gz KKOWUCWELPUCRF-MRVPVSSYSA-N 1 0 266.301 -1.020 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001486033375 892994299 /nfs/dbraw/zinc/99/42/99/892994299.db2.gz XSQUHWXYORQLPT-VIFPVBQESA-N 1 0 266.301 -1.171 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001486033130 892994322 /nfs/dbraw/zinc/99/43/22/892994322.db2.gz WBIWVJAIGNFXMN-JTQLQIEISA-N 1 0 296.327 -1.544 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001486033503 892994404 /nfs/dbraw/zinc/99/44/04/892994404.db2.gz YXGJCIIIGFXGRP-GWCFXTLKSA-N 1 0 267.329 -1.255 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001486039432 892994622 /nfs/dbraw/zinc/99/46/22/892994622.db2.gz IZKLTYCMRSHPBG-LLVKDONJSA-N 1 0 288.369 -1.489 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001486033132 892995164 /nfs/dbraw/zinc/99/51/64/892995164.db2.gz WBIWVJAIGNFXMN-SNVBAGLBSA-N 1 0 296.327 -1.544 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001486033804 892995303 /nfs/dbraw/zinc/99/53/03/892995303.db2.gz KKOWUCWELPUCRF-QMMMGPOBSA-N 1 0 266.301 -1.020 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001486033507 892995722 /nfs/dbraw/zinc/99/57/22/892995722.db2.gz YXGJCIIIGFXGRP-MFKMUULPSA-N 1 0 267.329 -1.255 20 30 CAEDRO C[NH+]1CCC(OCC(=O)NC[C@H](CO)NCC#N)CC1 ZINC001486049317 892996880 /nfs/dbraw/zinc/99/68/80/892996880.db2.gz ZPODVKKTABVDBI-LLVKDONJSA-N 1 0 284.360 -1.313 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001486042345 892998549 /nfs/dbraw/zinc/99/85/49/892998549.db2.gz DDZOLQASCIRCTJ-SNVBAGLBSA-N 1 0 296.327 -1.821 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]CCO)nn1 ZINC001486044230 892998677 /nfs/dbraw/zinc/99/86/77/892998677.db2.gz WKHLGETUVFCVOX-VIFPVBQESA-N 1 0 269.305 -1.863 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1ccco1 ZINC001486046397 892998704 /nfs/dbraw/zinc/99/87/04/892998704.db2.gz PEUOJOLKAAIVIX-JTQLQIEISA-N 1 0 294.311 -1.471 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001486042343 892998758 /nfs/dbraw/zinc/99/87/58/892998758.db2.gz DDZOLQASCIRCTJ-JTQLQIEISA-N 1 0 296.327 -1.821 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)C ZINC001486054659 893000643 /nfs/dbraw/zinc/00/06/43/893000643.db2.gz BMAUAMJSINLHNU-JTQLQIEISA-N 1 0 269.345 -1.151 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCO)cn1 ZINC001486055469 893003420 /nfs/dbraw/zinc/00/34/20/893003420.db2.gz LWLFHEMXEIZIES-LBPRGKRZSA-N 1 0 263.297 -1.265 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001486056509 893005003 /nfs/dbraw/zinc/00/50/03/893005003.db2.gz WISNBHMVYFSIFI-UWVGGRQHSA-N 1 0 296.327 -2.919 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001486065580 893005815 /nfs/dbraw/zinc/00/58/15/893005815.db2.gz IAZFCZFYUOKUME-VIFPVBQESA-N 1 0 294.315 -2.533 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001486062179 893007008 /nfs/dbraw/zinc/00/70/08/893007008.db2.gz DNVCFMXJEVUNCF-ZJUUUORDSA-N 1 0 291.373 -1.679 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1ccnc1C ZINC001486062494 893007206 /nfs/dbraw/zinc/00/72/06/893007206.db2.gz WVSWKNXFKZTDNC-NSHDSACASA-N 1 0 250.302 -1.109 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001486064143 893007720 /nfs/dbraw/zinc/00/77/20/893007720.db2.gz XQTYFWJNGCSUMO-NWDGAFQWSA-N 1 0 291.355 -1.151 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001486062887 893008180 /nfs/dbraw/zinc/00/81/80/893008180.db2.gz HQHWVEFNBLDAPN-NXEZZACHSA-N 1 0 291.373 -1.679 20 30 CAEDRO C#CCNC(=O)CN[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001486061084 893008242 /nfs/dbraw/zinc/00/82/42/893008242.db2.gz HBQAKGDSOXSITG-LBPRGKRZSA-N 1 0 296.371 -2.102 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001486066547 893008568 /nfs/dbraw/zinc/00/85/68/893008568.db2.gz QELHIFVPUKQMLH-GHMZBOCLSA-N 1 0 290.385 -1.243 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001486064147 893008770 /nfs/dbraw/zinc/00/87/70/893008770.db2.gz XQTYFWJNGCSUMO-VXGBXAGGSA-N 1 0 291.355 -1.151 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001486064145 893009058 /nfs/dbraw/zinc/00/90/58/893009058.db2.gz XQTYFWJNGCSUMO-RYUDHWBXSA-N 1 0 291.355 -1.151 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001486065791 893011626 /nfs/dbraw/zinc/01/16/26/893011626.db2.gz KIWCMNQIPGLLJR-VHSXEESVSA-N 1 0 278.374 -1.080 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1C ZINC001486087142 893016641 /nfs/dbraw/zinc/01/66/41/893016641.db2.gz FPQBIPARAFNBTH-ZJUUUORDSA-N 1 0 288.373 -1.748 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241787 893019600 /nfs/dbraw/zinc/01/96/00/893019600.db2.gz ZHHBMMWVGOOJDU-ZJUUUORDSA-N 1 0 296.371 -1.011 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ccoc1 ZINC001486260539 893022894 /nfs/dbraw/zinc/02/28/94/893022894.db2.gz ZQYUNUGKXOGGMY-NSHDSACASA-N 1 0 294.311 -1.058 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001486268098 893023607 /nfs/dbraw/zinc/02/36/07/893023607.db2.gz PJIURVJMSCKNPQ-VXGBXAGGSA-N 1 0 269.345 -1.641 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ccoc1 ZINC001486260537 893024736 /nfs/dbraw/zinc/02/47/36/893024736.db2.gz ZQYUNUGKXOGGMY-LLVKDONJSA-N 1 0 294.311 -1.058 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001486261493 893024944 /nfs/dbraw/zinc/02/49/44/893024944.db2.gz ITLWFATUXCEZLW-NWDGAFQWSA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)C ZINC001486262466 893026048 /nfs/dbraw/zinc/02/60/48/893026048.db2.gz ZUBAIYCHIKPAHX-LLVKDONJSA-N 1 0 269.345 -1.199 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001486268097 893026843 /nfs/dbraw/zinc/02/68/43/893026843.db2.gz PJIURVJMSCKNPQ-RYUDHWBXSA-N 1 0 269.345 -1.641 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486264809 893027486 /nfs/dbraw/zinc/02/74/86/893027486.db2.gz JGYVNNGDIYMFTM-WDEREUQCSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001486273961 893028619 /nfs/dbraw/zinc/02/86/19/893028619.db2.gz IHSYEIJIGISBSJ-SNVBAGLBSA-N 1 0 266.301 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001486277019 893029558 /nfs/dbraw/zinc/02/95/58/893029558.db2.gz RWLDTTHTYVEWNN-VXGBXAGGSA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001486277016 893029665 /nfs/dbraw/zinc/02/96/65/893029665.db2.gz RWLDTTHTYVEWNN-NEPJUHHUSA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001486277018 893030992 /nfs/dbraw/zinc/03/09/92/893030992.db2.gz RWLDTTHTYVEWNN-RYUDHWBXSA-N 1 0 270.329 -1.166 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001486268299 893031341 /nfs/dbraw/zinc/03/13/41/893031341.db2.gz RVKRCWPIXFVTST-KOLCDFICSA-N 1 0 282.344 -1.166 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001486268504 893031457 /nfs/dbraw/zinc/03/14/57/893031457.db2.gz XDIYCDIFVBLYGO-JTQLQIEISA-N 1 0 293.327 -1.818 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001486270957 893031518 /nfs/dbraw/zinc/03/15/18/893031518.db2.gz JLRLOGMRAABEGH-SNVBAGLBSA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001486268300 893031929 /nfs/dbraw/zinc/03/19/29/893031929.db2.gz RVKRCWPIXFVTST-MWLCHTKSSA-N 1 0 282.344 -1.166 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001486268298 893032422 /nfs/dbraw/zinc/03/24/22/893032422.db2.gz RVKRCWPIXFVTST-GXSJLCMTSA-N 1 0 282.344 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1COCCN1CC ZINC001486285790 893034506 /nfs/dbraw/zinc/03/45/06/893034506.db2.gz RBCIXCUEAOVAIJ-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001486287924 893034643 /nfs/dbraw/zinc/03/46/43/893034643.db2.gz HOOIRAWTEPIIEG-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001486287797 893034921 /nfs/dbraw/zinc/03/49/21/893034921.db2.gz FERFIHICNBKNAJ-VIFPVBQESA-N 1 0 296.331 -1.871 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001486279619 893035271 /nfs/dbraw/zinc/03/52/71/893035271.db2.gz SVPIBFQKKPPHPB-SNVBAGLBSA-N 1 0 293.389 -1.527 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001486277245 893035957 /nfs/dbraw/zinc/03/59/57/893035957.db2.gz USSDFPHDONSIKD-SNVBAGLBSA-N 1 0 265.317 -1.302 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001486280082 893037871 /nfs/dbraw/zinc/03/78/71/893037871.db2.gz DEUBYAJDCZFKNV-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1ncn(C)c1=O ZINC001486291990 893039452 /nfs/dbraw/zinc/03/94/52/893039452.db2.gz LSOINXPMDKAMHQ-LLVKDONJSA-N 1 0 295.343 -1.986 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC12CC2 ZINC001486301336 893041322 /nfs/dbraw/zinc/04/13/22/893041322.db2.gz MIFMVRWQQGMXPY-MNOVXSKESA-N 1 0 294.355 -1.165 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001486301168 893043169 /nfs/dbraw/zinc/04/31/69/893043169.db2.gz LAENIQSMDUSWRU-NEPJUHHUSA-N 1 0 293.367 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001486304977 893044251 /nfs/dbraw/zinc/04/42/51/893044251.db2.gz WFBXENIXVNFHJU-NSHDSACASA-N 1 0 295.339 -1.529 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(=O)n(CC)n1 ZINC001486305321 893044967 /nfs/dbraw/zinc/04/49/67/893044967.db2.gz CTABOIFMKPVIGE-NSHDSACASA-N 1 0 292.339 -1.081 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001486302164 893045227 /nfs/dbraw/zinc/04/52/27/893045227.db2.gz UJLRUGMGUYEQEG-BDAKNGLRSA-N 1 0 284.316 -1.821 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001486304274 893045250 /nfs/dbraw/zinc/04/52/50/893045250.db2.gz HOTOHVCLGATOTI-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1nccnc1C(N)=O ZINC001486315113 893046747 /nfs/dbraw/zinc/04/67/47/893046747.db2.gz FSYRTRPXQKFNGM-VIFPVBQESA-N 1 0 293.327 -1.216 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(CC)n1 ZINC001486305320 893047029 /nfs/dbraw/zinc/04/70/29/893047029.db2.gz CTABOIFMKPVIGE-LLVKDONJSA-N 1 0 292.339 -1.081 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001486304277 893048568 /nfs/dbraw/zinc/04/85/68/893048568.db2.gz HOTOHVCLGATOTI-WDEREUQCSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001486317333 893049105 /nfs/dbraw/zinc/04/91/05/893049105.db2.gz NQYPIMOPXPWZQU-UWVGGRQHSA-N 1 0 289.357 -2.280 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001486317334 893049517 /nfs/dbraw/zinc/04/95/17/893049517.db2.gz NQYPIMOPXPWZQU-VHSXEESVSA-N 1 0 289.357 -2.280 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001486325172 893051304 /nfs/dbraw/zinc/05/13/04/893051304.db2.gz BZEHTFOOQSSCJE-RYUDHWBXSA-N 1 0 270.329 -1.214 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001486318227 893052387 /nfs/dbraw/zinc/05/23/87/893052387.db2.gz VPPQANVOSDVNPU-SNVBAGLBSA-N 1 0 278.312 -1.231 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001486325173 893053543 /nfs/dbraw/zinc/05/35/43/893053543.db2.gz BZEHTFOOQSSCJE-VXGBXAGGSA-N 1 0 270.329 -1.214 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001486318225 893053629 /nfs/dbraw/zinc/05/36/29/893053629.db2.gz VPPQANVOSDVNPU-JTQLQIEISA-N 1 0 278.312 -1.231 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001486317335 893055267 /nfs/dbraw/zinc/05/52/67/893055267.db2.gz NQYPIMOPXPWZQU-ZJUUUORDSA-N 1 0 289.357 -2.280 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486347113 893056323 /nfs/dbraw/zinc/05/63/23/893056323.db2.gz LHDWHRCPWXBRAY-SNVBAGLBSA-N 1 0 271.317 -2.127 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001486348382 893056566 /nfs/dbraw/zinc/05/65/66/893056566.db2.gz ZQAOIXHINQEKLU-VHSXEESVSA-N 1 0 268.317 -1.948 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001486344418 893057875 /nfs/dbraw/zinc/05/78/75/893057875.db2.gz JMPYYQIJARWGOO-JTQLQIEISA-N 1 0 280.332 -1.402 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001486331673 893058564 /nfs/dbraw/zinc/05/85/64/893058564.db2.gz ZCPWQDAYDHPOCC-WDEREUQCSA-N 1 0 284.360 -1.182 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001486348375 893059375 /nfs/dbraw/zinc/05/93/75/893059375.db2.gz ZQAOIXHINQEKLU-NXEZZACHSA-N 1 0 268.317 -1.948 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001486339471 893059929 /nfs/dbraw/zinc/05/99/29/893059929.db2.gz WRNYCLGSRIHOEL-LBPRGKRZSA-N 1 0 296.371 -1.214 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001486348960 893059989 /nfs/dbraw/zinc/05/99/89/893059989.db2.gz LSDAWKYKIMKMIV-RISCZKNCSA-N 1 0 281.356 -1.103 20 30 CAEDRO CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336048 893061003 /nfs/dbraw/zinc/06/10/03/893061003.db2.gz BICOAHAECFDYDF-LLVKDONJSA-N 1 0 284.360 -1.310 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001486345488 893062014 /nfs/dbraw/zinc/06/20/14/893062014.db2.gz ROFDNCREQOMHGY-GFCCVEGCSA-N 1 0 298.387 -1.645 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001486345489 893062147 /nfs/dbraw/zinc/06/21/47/893062147.db2.gz ROFDNCREQOMHGY-LBPRGKRZSA-N 1 0 298.387 -1.645 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001486347613 893063407 /nfs/dbraw/zinc/06/34/07/893063407.db2.gz QJURNOFQOZVJFO-MNOVXSKESA-N 1 0 282.344 -1.558 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001486357796 893065733 /nfs/dbraw/zinc/06/57/33/893065733.db2.gz VWPJQVPOIXZXQN-LLVKDONJSA-N 1 0 265.317 -1.338 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001486360559 893067559 /nfs/dbraw/zinc/06/75/59/893067559.db2.gz NNQIVMGRTIUZQT-WDEREUQCSA-N 1 0 297.355 -1.024 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001486360558 893069301 /nfs/dbraw/zinc/06/93/01/893069301.db2.gz NNQIVMGRTIUZQT-QWRGUYRKSA-N 1 0 297.355 -1.024 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001486357326 893069357 /nfs/dbraw/zinc/06/93/57/893069357.db2.gz XLQDARGRLHXQFH-JTQLQIEISA-N 1 0 265.317 -1.269 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001486498296 893073126 /nfs/dbraw/zinc/07/31/26/893073126.db2.gz QEDARBHIQOYDCO-MNOVXSKESA-N 1 0 267.329 -1.194 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001486495661 893074267 /nfs/dbraw/zinc/07/42/67/893074267.db2.gz BLCGYUQXLOUBSO-UHFFFAOYSA-N 1 0 296.371 -1.884 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001488759521 893167372 /nfs/dbraw/zinc/16/73/72/893167372.db2.gz GAJLPTBTNDTNIC-PHIMTYICSA-N 1 0 292.343 -1.042 20 30 CAEDRO C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(N)=O)n1 ZINC001489079276 893170120 /nfs/dbraw/zinc/17/01/20/893170120.db2.gz ONVJOEGTVLAUEZ-UHFFFAOYSA-N 1 0 265.273 -1.441 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001488945331 893170361 /nfs/dbraw/zinc/17/03/61/893170361.db2.gz FIDZXZCMRUJUCD-GARJFASQSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001489164809 893172658 /nfs/dbraw/zinc/17/26/58/893172658.db2.gz ZQWIJJYXXANQRZ-NSHDSACASA-N 1 0 292.343 -1.258 20 30 CAEDRO C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001489217873 893176450 /nfs/dbraw/zinc/17/64/50/893176450.db2.gz BGHFCNBACCZJKB-LLVKDONJSA-N 1 0 282.344 -1.292 20 30 CAEDRO CC#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)NC ZINC001490228157 893194210 /nfs/dbraw/zinc/19/42/10/893194210.db2.gz JHNUIEXPEIXWBH-UHFFFAOYSA-N 1 0 290.389 -1.498 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CCS(=O)(=O)NC ZINC001490197705 893195651 /nfs/dbraw/zinc/19/56/51/893195651.db2.gz YFPRNGNEOHUULO-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001490305197 893196067 /nfs/dbraw/zinc/19/60/67/893196067.db2.gz DVHBYRSYQKDDDV-QWRGUYRKSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001490305199 893196483 /nfs/dbraw/zinc/19/64/83/893196483.db2.gz DVHBYRSYQKDDDV-WDEREUQCSA-N 1 0 294.355 -1.420 20 30 CAEDRO COC[C@H](O)C[NH+]1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001490486438 893207745 /nfs/dbraw/zinc/20/77/45/893207745.db2.gz ZCLVMUUYEHPJNV-CHWSQXEVSA-N 1 0 298.387 -1.113 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001490742017 893217825 /nfs/dbraw/zinc/21/78/25/893217825.db2.gz ZIBFXLDLRFOGCG-GHMZBOCLSA-N 1 0 285.369 -1.204 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001490890438 893222587 /nfs/dbraw/zinc/22/25/87/893222587.db2.gz PSFNBGBZHYEGFN-MGCOHNPYSA-N 1 0 273.358 -1.204 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001490873544 893222812 /nfs/dbraw/zinc/22/28/12/893222812.db2.gz POOWSQBCELDDQR-GMTAPVOTSA-N 1 0 280.328 -1.101 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001490836441 893222827 /nfs/dbraw/zinc/22/28/27/893222827.db2.gz CJHXOBJFLKXMDQ-ZJUUUORDSA-N 1 0 295.343 -1.672 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC001490886334 893223919 /nfs/dbraw/zinc/22/39/19/893223919.db2.gz MLIFTPPJLWSXCG-MGCOHNPYSA-N 1 0 292.343 -1.032 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001490883318 893223979 /nfs/dbraw/zinc/22/39/79/893223979.db2.gz NEEXDRNVAKQYEN-XYPYZODXSA-N 1 0 288.311 -1.033 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001490922889 893226502 /nfs/dbraw/zinc/22/65/02/893226502.db2.gz UTQMMIJGRCDRIS-GUBZILKMSA-N 1 0 250.302 -1.072 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001490938679 893226814 /nfs/dbraw/zinc/22/68/14/893226814.db2.gz KYXRYPSGCSIKQU-KYZUINATSA-N 1 0 277.284 -1.331 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001490917540 893227104 /nfs/dbraw/zinc/22/71/04/893227104.db2.gz VUCOPSWHXJFVDX-DCAQKATOSA-N 1 0 294.355 -1.339 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001490934927 893227146 /nfs/dbraw/zinc/22/71/46/893227146.db2.gz ZCJDWPQEKZARSN-OPRDCNLKSA-N 1 0 273.358 -1.206 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001490917541 893228000 /nfs/dbraw/zinc/22/80/00/893228000.db2.gz VUCOPSWHXJFVDX-GMTAPVOTSA-N 1 0 294.355 -1.339 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001491004429 893229860 /nfs/dbraw/zinc/22/98/60/893229860.db2.gz GWTCODQGRMDHDJ-DTORHVGOSA-N 1 0 268.317 -1.599 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001491059745 893231341 /nfs/dbraw/zinc/23/13/41/893231341.db2.gz ZCJDWPQEKZARSN-BBBLOLIVSA-N 1 0 273.358 -1.206 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001491032650 893232419 /nfs/dbraw/zinc/23/24/19/893232419.db2.gz PTKLXLPVZOKIID-TXEJJXNPSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001491081310 893236992 /nfs/dbraw/zinc/23/69/92/893236992.db2.gz ZYHBDZDNRUSUJD-OUAUKWLOSA-N 1 0 285.369 -1.062 20 30 CAEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001491129206 893244840 /nfs/dbraw/zinc/24/48/40/893244840.db2.gz QUSUUQXFAUGEKI-LLVKDONJSA-N 1 0 292.339 -1.000 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001491129212 893245676 /nfs/dbraw/zinc/24/56/76/893245676.db2.gz QUSUUQXFAUGEKI-NSHDSACASA-N 1 0 292.339 -1.000 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1cnnn1 ZINC001491389403 893267636 /nfs/dbraw/zinc/26/76/36/893267636.db2.gz JSGXVKLXCRBNRD-NXEZZACHSA-N 1 0 293.331 -2.095 20 30 CAEDRO C[C@H](CNC(=O)CCn1cncn1)[NH2+]CC(=O)NCC#N ZINC001491391754 893268199 /nfs/dbraw/zinc/26/81/99/893268199.db2.gz FTSOOQVECROZNI-SNVBAGLBSA-N 1 0 293.331 -1.598 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001491387673 893268427 /nfs/dbraw/zinc/26/84/27/893268427.db2.gz MBJFKZOOKUSGKS-IUCAKERBSA-N 1 0 283.332 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnsn1 ZINC001491401541 893270001 /nfs/dbraw/zinc/27/00/01/893270001.db2.gz IZXREKVAQQGSPE-QMMMGPOBSA-N 1 0 281.341 -1.005 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC(N)=O ZINC001491416976 893270714 /nfs/dbraw/zinc/27/07/14/893270714.db2.gz CFUVIQQDJGFWFG-IUCAKERBSA-N 1 0 270.333 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cn(C)cn1 ZINC001491431948 893271160 /nfs/dbraw/zinc/27/11/60/893271160.db2.gz OUMWAOGVHNTQQZ-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1nccnc1N ZINC001491418170 893271711 /nfs/dbraw/zinc/27/17/11/893271711.db2.gz IMRUHILSLPLRPY-SECBINFHSA-N 1 0 290.327 -1.484 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC(N)=O ZINC001491416968 893271933 /nfs/dbraw/zinc/27/19/33/893271933.db2.gz CFUVIQQDJGFWFG-BDAKNGLRSA-N 1 0 270.333 -1.353 20 30 CAEDRO C=CCOCC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001491413941 893272769 /nfs/dbraw/zinc/27/27/69/893272769.db2.gz HTJNZGCMANSNLW-QMMMGPOBSA-N 1 0 272.305 -1.522 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001491470094 893275505 /nfs/dbraw/zinc/27/55/05/893275505.db2.gz PIXJPUXWTHXMCX-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001491470093 893275717 /nfs/dbraw/zinc/27/57/17/893275717.db2.gz PIXJPUXWTHXMCX-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445257 893277865 /nfs/dbraw/zinc/27/78/65/893277865.db2.gz SYQZBQAJZIEWMJ-UWVGGRQHSA-N 1 0 292.343 -1.339 20 30 CAEDRO C[C@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]CC(=O)NCC#N ZINC001491454980 893278089 /nfs/dbraw/zinc/27/80/89/893278089.db2.gz NHMCGKZFWNGTGQ-GHMZBOCLSA-N 1 0 298.343 -1.474 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001491472283 893278805 /nfs/dbraw/zinc/27/88/05/893278805.db2.gz BAERNUXGYPNVSE-JTQLQIEISA-N 1 0 280.328 -1.173 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001491462272 893279039 /nfs/dbraw/zinc/27/90/39/893279039.db2.gz JKFLSBBVDUVBRE-VIFPVBQESA-N 1 0 278.316 -1.505 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001491485562 893282170 /nfs/dbraw/zinc/28/21/70/893282170.db2.gz PUEGXDSIAXWYHJ-YUMQZZPRSA-N 1 0 254.290 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001491545445 893289047 /nfs/dbraw/zinc/28/90/47/893289047.db2.gz BRBCKPLZUABWJR-UWVGGRQHSA-N 1 0 280.328 -2.034 20 30 CAEDRO C[C@H](CNC(=O)Cc1cnoc1)[NH2+]CC(=O)NCC#N ZINC001491556548 893289555 /nfs/dbraw/zinc/28/95/55/893289555.db2.gz AAXHPGFMIOHCEI-SECBINFHSA-N 1 0 279.300 -1.049 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001491545443 893290274 /nfs/dbraw/zinc/29/02/74/893290274.db2.gz BRBCKPLZUABWJR-NXEZZACHSA-N 1 0 280.328 -2.034 20 30 CAEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001491539043 893290441 /nfs/dbraw/zinc/29/04/41/893290441.db2.gz PHRWJZGFMWFMNG-VIFPVBQESA-N 1 0 278.378 -1.289 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](CC)NC(C)=O ZINC001491587897 893297123 /nfs/dbraw/zinc/29/71/23/893297123.db2.gz OJCYUQWKCLOJRS-JQWIXIFHSA-N 1 0 296.371 -1.255 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001491608625 893297912 /nfs/dbraw/zinc/29/79/12/893297912.db2.gz QIHRURXZEGQMEW-SNVBAGLBSA-N 1 0 295.339 -1.217 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001491608624 893299232 /nfs/dbraw/zinc/29/92/32/893299232.db2.gz QIHRURXZEGQMEW-JTQLQIEISA-N 1 0 295.339 -1.217 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001491589003 893298809 /nfs/dbraw/zinc/29/88/09/893298809.db2.gz FBPREMBXVZQYQO-RKDXNWHRSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](CC)NC(C)=O ZINC001491587898 893299050 /nfs/dbraw/zinc/29/90/50/893299050.db2.gz OJCYUQWKCLOJRS-PWSUYJOCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001491589001 893300035 /nfs/dbraw/zinc/30/00/35/893300035.db2.gz FBPREMBXVZQYQO-DTWKUNHWSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001491615150 893300183 /nfs/dbraw/zinc/30/01/83/893300183.db2.gz TYYOBHRXEHCILU-JTQLQIEISA-N 1 0 278.312 -1.346 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001491665488 893300839 /nfs/dbraw/zinc/30/08/39/893300839.db2.gz SELSQMJOGRYKQC-MRVPVSSYSA-N 1 0 252.274 -1.734 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCNC(N)=O ZINC001491663394 893302092 /nfs/dbraw/zinc/30/20/92/893302092.db2.gz AOVZHRYSALIQMG-VHSXEESVSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCNC(N)=O ZINC001491663393 893303838 /nfs/dbraw/zinc/30/38/38/893303838.db2.gz AOVZHRYSALIQMG-UWVGGRQHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCNC(N)=O ZINC001491663395 893304476 /nfs/dbraw/zinc/30/44/76/893304476.db2.gz AOVZHRYSALIQMG-ZJUUUORDSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001491676099 893307328 /nfs/dbraw/zinc/30/73/28/893307328.db2.gz VIMUEFPIWJQMGE-DTWKUNHWSA-N 1 0 259.331 -1.594 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001491701013 893307871 /nfs/dbraw/zinc/30/78/71/893307871.db2.gz JNPZVXRNZXQVMU-LLVKDONJSA-N 1 0 294.355 -1.561 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491725253 893308161 /nfs/dbraw/zinc/30/81/61/893308161.db2.gz IRUFYKNWQHQFLA-UWVGGRQHSA-N 1 0 296.327 -1.590 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491792418 893310371 /nfs/dbraw/zinc/31/03/71/893310371.db2.gz UIHINSOXVRALNH-NSHDSACASA-N 1 0 267.329 -1.050 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001491757123 893311130 /nfs/dbraw/zinc/31/11/30/893311130.db2.gz MBAKDFPTCZLYLZ-JTQLQIEISA-N 1 0 292.343 -1.079 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491790112 893311635 /nfs/dbraw/zinc/31/16/35/893311635.db2.gz AMWYDMKVEZPYLN-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001491848379 893313917 /nfs/dbraw/zinc/31/39/17/893313917.db2.gz VAHOYDHNMIFHDP-NSHDSACASA-N 1 0 292.339 -1.048 20 30 CAEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001491837539 893315070 /nfs/dbraw/zinc/31/50/70/893315070.db2.gz ARCHPRVBOQGFFU-NEPJUHHUSA-N 1 0 296.371 -1.009 20 30 CAEDRO CC#CC[NH2+][C@H](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001492047116 893321139 /nfs/dbraw/zinc/32/11/39/893321139.db2.gz MSDYULHEBQFRQL-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001492091574 893321178 /nfs/dbraw/zinc/32/11/78/893321178.db2.gz DZUGELSENLIDDU-JQWIXIFHSA-N 1 0 296.371 -1.126 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001492031893 893321320 /nfs/dbraw/zinc/32/13/20/893321320.db2.gz YCYGWOBJCJYNSD-LLVKDONJSA-N 1 0 292.339 -1.335 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001492031894 893321469 /nfs/dbraw/zinc/32/14/69/893321469.db2.gz YCYGWOBJCJYNSD-NSHDSACASA-N 1 0 292.339 -1.335 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001492012270 893321931 /nfs/dbraw/zinc/32/19/31/893321931.db2.gz GWRJSVHZZLDIPC-ZJUUUORDSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1cn[nH]n1 ZINC001492046666 893322189 /nfs/dbraw/zinc/32/21/89/893322189.db2.gz NQDSCFABLJGYFL-SECBINFHSA-N 1 0 278.316 -1.348 20 30 CAEDRO C[C@H](CCNC(=O)c1ncn(C)n1)[NH2+]CC(=O)NCC#N ZINC001492016718 893323016 /nfs/dbraw/zinc/32/30/16/893323016.db2.gz FHUXIJHLXHJYCT-SECBINFHSA-N 1 0 293.331 -1.447 20 30 CAEDRO C[C@@H](CCNC(=O)c1ncn(C)n1)[NH2+]CC(=O)NCC#N ZINC001492016719 893323036 /nfs/dbraw/zinc/32/30/36/893323036.db2.gz FHUXIJHLXHJYCT-VIFPVBQESA-N 1 0 293.331 -1.447 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001492217419 893334989 /nfs/dbraw/zinc/33/49/89/893334989.db2.gz PQSOOCMXMJCSPC-VIFPVBQESA-N 1 0 281.316 -1.254 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001492369284 893345328 /nfs/dbraw/zinc/34/53/28/893345328.db2.gz DOCBCIBYNYMKSL-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001492441816 893354084 /nfs/dbraw/zinc/35/40/84/893354084.db2.gz OXWBLDPYQLTQPY-UHFFFAOYSA-N 1 0 280.284 -1.912 20 30 CAEDRO CC[N@@H+](CC#CCOC)CCNC(=O)Cn1ncnn1 ZINC001492952407 893369008 /nfs/dbraw/zinc/36/90/08/893369008.db2.gz IFLBGGICOCIMNJ-UHFFFAOYSA-N 1 0 280.332 -1.239 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1CC(=O)NC(N)=O ZINC001493087537 893374616 /nfs/dbraw/zinc/37/46/16/893374616.db2.gz QRGJSYXGAHUXSY-IUCAKERBSA-N 1 0 281.316 -1.078 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001493190473 893382928 /nfs/dbraw/zinc/38/29/28/893382928.db2.gz QVJPLQVWRCHXNS-JTQLQIEISA-N 1 0 282.344 -1.398 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001493212296 893384263 /nfs/dbraw/zinc/38/42/63/893384263.db2.gz VSOJABPJWMTMNN-UWVGGRQHSA-N 1 0 278.312 -1.344 20 30 CAEDRO COCC#CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001493408045 893392414 /nfs/dbraw/zinc/39/24/14/893392414.db2.gz UQYNSWDZSLMQCX-GFCCVEGCSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1CC1 ZINC001493423635 893394933 /nfs/dbraw/zinc/39/49/33/893394933.db2.gz MFDRFCUBWHYPDS-LBPRGKRZSA-N 1 0 294.355 -1.420 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001493500173 893401040 /nfs/dbraw/zinc/40/10/40/893401040.db2.gz MOXZPXDSFHJJGL-RKDXNWHRSA-N 1 0 266.301 -1.001 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CCn1cccn1 ZINC001493483550 893401619 /nfs/dbraw/zinc/40/16/19/893401619.db2.gz XWOHIIXCDLZHHZ-UHFFFAOYSA-N 1 0 292.343 -1.039 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CCNS(C)(=O)=O ZINC001493566961 893403491 /nfs/dbraw/zinc/40/34/91/893403491.db2.gz JWQSDTOVWJOPQO-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1ncnn1 ZINC001493549093 893403572 /nfs/dbraw/zinc/40/35/72/893403572.db2.gz CVCJCAMFPSAVNG-SNVBAGLBSA-N 1 0 293.331 -2.141 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001493551195 893403870 /nfs/dbraw/zinc/40/38/70/893403870.db2.gz NKPJVQQONAETKD-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC ZINC001493547100 893404038 /nfs/dbraw/zinc/40/40/38/893404038.db2.gz RQIJCISRHNLYFY-SNVBAGLBSA-N 1 0 298.343 -1.472 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC001493555283 893405566 /nfs/dbraw/zinc/40/55/66/893405566.db2.gz NVZVVDIZHSEQKW-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001493587810 893408549 /nfs/dbraw/zinc/40/85/49/893408549.db2.gz WVFZPYLSCSSWSO-UHFFFAOYSA-N 1 0 293.327 -1.165 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001493589906 893408900 /nfs/dbraw/zinc/40/89/00/893408900.db2.gz VELYWJHLSYJMOY-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cnc[nH]c1=O ZINC001493589858 893408984 /nfs/dbraw/zinc/40/89/84/893408984.db2.gz UPCKEWDTYKGMJW-UHFFFAOYSA-N 1 0 292.299 -1.516 20 30 CAEDRO Cc1cncn1CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001493630748 893409219 /nfs/dbraw/zinc/40/92/19/893409219.db2.gz NFBPCUYOIGDNGX-UHFFFAOYSA-N 1 0 292.343 -1.121 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C(N)=O ZINC001493679550 893410454 /nfs/dbraw/zinc/41/04/54/893410454.db2.gz RLOPRMJRHSUPPJ-MRVPVSSYSA-N 1 0 299.331 -2.080 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1n[nH]cc1F ZINC001493690195 893410864 /nfs/dbraw/zinc/41/08/64/893410864.db2.gz SREAHXNXKWRUDV-UHFFFAOYSA-N 1 0 282.279 -1.150 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001493676737 893411927 /nfs/dbraw/zinc/41/19/27/893411927.db2.gz OAHDBOHUFGQRPT-UHFFFAOYSA-N 1 0 291.311 -1.819 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001493707287 893413774 /nfs/dbraw/zinc/41/37/74/893413774.db2.gz WCARYWUWTNKKIP-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1ncc[nH]1 ZINC001493742411 893414346 /nfs/dbraw/zinc/41/43/46/893414346.db2.gz PXIGEAUNYJUUSQ-UHFFFAOYSA-N 1 0 278.316 -1.360 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1ncccn1 ZINC001493737448 893414528 /nfs/dbraw/zinc/41/45/28/893414528.db2.gz RMXLRUWGCWDTOI-UHFFFAOYSA-N 1 0 275.312 -1.112 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001493721054 893414566 /nfs/dbraw/zinc/41/45/66/893414566.db2.gz SHAACEMDGZXDJF-NSHDSACASA-N 1 0 282.344 -1.562 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CCn1cnnn1 ZINC001493742608 893415015 /nfs/dbraw/zinc/41/50/15/893415015.db2.gz RRPGGEKTMKPRLB-UHFFFAOYSA-N 1 0 294.319 -2.249 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cccnn1 ZINC001493739849 893415130 /nfs/dbraw/zinc/41/51/30/893415130.db2.gz XHTVVFWZWJBVNF-UHFFFAOYSA-N 1 0 276.300 -1.222 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001493707286 893415597 /nfs/dbraw/zinc/41/55/97/893415597.db2.gz WCARYWUWTNKKIP-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1ccnc1 ZINC001493809002 893418107 /nfs/dbraw/zinc/41/81/07/893418107.db2.gz CLYRXJJQFHQPGJ-UHFFFAOYSA-N 1 0 277.328 -1.320 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001494158222 893426277 /nfs/dbraw/zinc/42/62/77/893426277.db2.gz XTRHUNKAVQQZEY-QWRGUYRKSA-N 1 0 294.355 -1.610 20 30 CAEDRO C[NH+](C)CCC(=O)NC1CN(CC(=O)NCC#N)C1 ZINC001494444994 893436822 /nfs/dbraw/zinc/43/68/22/893436822.db2.gz ZLIMEGRNPWPDFP-UHFFFAOYSA-N 1 0 267.333 -1.622 20 30 CAEDRO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N ZINC001494669252 893455058 /nfs/dbraw/zinc/45/50/58/893455058.db2.gz XTAPIJRDELSQOA-RYUDHWBXSA-N 1 0 293.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H](C)NC(N)=O ZINC001494972611 893465850 /nfs/dbraw/zinc/46/58/50/893465850.db2.gz WNJRQXCFUIDYIY-VHSXEESVSA-N 1 0 297.359 -1.723 20 30 CAEDRO CC[C@H](CNC(=O)c1cn[nH]n1)[NH2+]CC(=O)NCC#N ZINC001495014566 893468702 /nfs/dbraw/zinc/46/87/02/893468702.db2.gz XTOMLOKVWCXCSE-MRVPVSSYSA-N 1 0 279.304 -1.458 20 30 CAEDRO C#CC[NH2+][C@@H](CC)CNC(=O)CNC(=O)CNC(C)=O ZINC001495010943 893469032 /nfs/dbraw/zinc/46/90/32/893469032.db2.gz DUQGMNGABWGDTB-NSHDSACASA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CC[NH2+][C@@H](CC)CNC(=O)CN(C)S(C)(=O)=O ZINC001494987670 893470165 /nfs/dbraw/zinc/47/01/65/893470165.db2.gz JBMVEDRKGFMODZ-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C(N)=O ZINC001495052588 893473201 /nfs/dbraw/zinc/47/32/01/893473201.db2.gz ZMQXHRRYCIJCQQ-QMMMGPOBSA-N 1 0 256.306 -1.742 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001495575987 893482992 /nfs/dbraw/zinc/48/29/92/893482992.db2.gz MOHMSTPZQZKCHK-MRVPVSSYSA-N 1 0 267.289 -2.308 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001495717319 893485884 /nfs/dbraw/zinc/48/58/84/893485884.db2.gz MMOODCMVGBVEAH-VHSXEESVSA-N 1 0 252.318 -1.015 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001495797972 893489442 /nfs/dbraw/zinc/48/94/42/893489442.db2.gz KZRHBUUNHOYTLE-SNVBAGLBSA-N 1 0 279.344 -1.135 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001495797967 893489625 /nfs/dbraw/zinc/48/96/25/893489625.db2.gz KZRHBUUNHOYTLE-JTQLQIEISA-N 1 0 279.344 -1.135 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001495813540 893492325 /nfs/dbraw/zinc/49/23/25/893492325.db2.gz NBDNROONFLINMJ-JTQLQIEISA-N 1 0 292.343 -1.258 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1cnnn1 ZINC001496001856 893499715 /nfs/dbraw/zinc/49/97/15/893499715.db2.gz FMOSUXKVAPWFDK-SECBINFHSA-N 1 0 294.319 -2.251 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC(N)=O ZINC001496026180 893503947 /nfs/dbraw/zinc/50/39/47/893503947.db2.gz NVIZFTAFMCMXOZ-VIFPVBQESA-N 1 0 270.333 -1.400 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1cnnn1C ZINC001496057777 893504969 /nfs/dbraw/zinc/50/49/69/893504969.db2.gz PQCFQNYHCLDJJR-SECBINFHSA-N 1 0 293.331 -1.495 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1cnnn1C ZINC001496057780 893505081 /nfs/dbraw/zinc/50/50/81/893505081.db2.gz PQCFQNYHCLDJJR-VIFPVBQESA-N 1 0 293.331 -1.495 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CNS(=O)(=O)NC ZINC001496127475 893510025 /nfs/dbraw/zinc/51/00/25/893510025.db2.gz IVHGPEVKRHUAQE-SECBINFHSA-N 1 0 276.362 -1.890 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001496171430 893511165 /nfs/dbraw/zinc/51/11/65/893511165.db2.gz RBVDLPCGJBCSGV-VHSXEESVSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001496203388 893512275 /nfs/dbraw/zinc/51/22/75/893512275.db2.gz OIGNSXJOOPZWDG-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001496249102 893513290 /nfs/dbraw/zinc/51/32/90/893513290.db2.gz MWEPOKCAGGRWNT-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001496203387 893514078 /nfs/dbraw/zinc/51/40/78/893514078.db2.gz OIGNSXJOOPZWDG-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001496484662 893519818 /nfs/dbraw/zinc/51/98/18/893519818.db2.gz XLJFILUMDONHPH-VHSXEESVSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001496757592 893532435 /nfs/dbraw/zinc/53/24/35/893532435.db2.gz WCMYIYBJVVELGM-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001496837723 893538747 /nfs/dbraw/zinc/53/87/47/893538747.db2.gz FSRVXUMRRMSHIR-SNVBAGLBSA-N 1 0 273.358 -1.299 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O ZINC001496933299 893542445 /nfs/dbraw/zinc/54/24/45/893542445.db2.gz NPEDIOOQYAKEPK-VIFPVBQESA-N 1 0 263.725 -1.058 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O ZINC001496933298 893542540 /nfs/dbraw/zinc/54/25/40/893542540.db2.gz NPEDIOOQYAKEPK-SECBINFHSA-N 1 0 263.725 -1.058 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnccn1 ZINC001496926731 893543525 /nfs/dbraw/zinc/54/35/25/893543525.db2.gz ANQMFBXIPNGHLT-NSHDSACASA-N 1 0 278.312 -1.193 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001496943724 893544962 /nfs/dbraw/zinc/54/49/62/893544962.db2.gz CXVBDFBBMRSNGD-LLVKDONJSA-N 1 0 298.343 -2.719 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001496943725 893548404 /nfs/dbraw/zinc/54/84/04/893548404.db2.gz CXVBDFBBMRSNGD-NSHDSACASA-N 1 0 298.343 -2.719 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001496937849 893549656 /nfs/dbraw/zinc/54/96/56/893549656.db2.gz IVGSAOXVRUBSES-NXEZZACHSA-N 1 0 284.316 -2.128 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001496944802 893551439 /nfs/dbraw/zinc/55/14/39/893551439.db2.gz LFGXXZOLFUQVMN-ZJUUUORDSA-N 1 0 295.343 -1.219 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001496946747 893551543 /nfs/dbraw/zinc/55/15/43/893551543.db2.gz TYRQZAXIUXSDIQ-MNOVXSKESA-N 1 0 256.302 -1.508 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001496944801 893551909 /nfs/dbraw/zinc/55/19/09/893551909.db2.gz LFGXXZOLFUQVMN-VHSXEESVSA-N 1 0 295.343 -1.219 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001496944796 893552022 /nfs/dbraw/zinc/55/20/22/893552022.db2.gz LFGXXZOLFUQVMN-NXEZZACHSA-N 1 0 295.343 -1.219 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001496946749 893554352 /nfs/dbraw/zinc/55/43/52/893554352.db2.gz TYRQZAXIUXSDIQ-QWRGUYRKSA-N 1 0 256.302 -1.508 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001496948942 893554845 /nfs/dbraw/zinc/55/48/45/893554845.db2.gz GVGBHUYRSKEACT-ZDUSSCGKSA-N 1 0 294.355 -1.321 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)COC ZINC001496951407 893555643 /nfs/dbraw/zinc/55/56/43/893555643.db2.gz VOCQWSNYWFKYAF-NWDGAFQWSA-N 1 0 272.345 -1.015 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)COC ZINC001496951408 893557852 /nfs/dbraw/zinc/55/78/52/893557852.db2.gz VOCQWSNYWFKYAF-RYUDHWBXSA-N 1 0 272.345 -1.015 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001496955101 893558716 /nfs/dbraw/zinc/55/87/16/893558716.db2.gz NDHZBDOSOXFLDU-ZJUUUORDSA-N 1 0 291.373 -1.353 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CNC(=O)CC ZINC001496955268 893559481 /nfs/dbraw/zinc/55/94/81/893559481.db2.gz NKYPXFMXUDSDEE-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001496958981 893561289 /nfs/dbraw/zinc/56/12/89/893561289.db2.gz ULJWYLOSTBPXKZ-LBPRGKRZSA-N 1 0 280.328 -1.331 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C1CC1 ZINC001496960535 893562515 /nfs/dbraw/zinc/56/25/15/893562515.db2.gz KYTKJRRCWSGCGS-PWSUYJOCSA-N 1 0 281.356 -1.151 20 30 CAEDRO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001496964008 893562704 /nfs/dbraw/zinc/56/27/04/893562704.db2.gz FTLOVHAEQFZHET-KWQFWETISA-N 1 0 266.301 -1.053 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C=C1CCC1 ZINC001496965682 893562752 /nfs/dbraw/zinc/56/27/52/893562752.db2.gz HADIRIHNNYEZHF-NSHDSACASA-N 1 0 280.328 -1.197 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001496958979 893563116 /nfs/dbraw/zinc/56/31/16/893563116.db2.gz ULJWYLOSTBPXKZ-GFCCVEGCSA-N 1 0 280.328 -1.331 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C1CC1 ZINC001496960534 893563317 /nfs/dbraw/zinc/56/33/17/893563317.db2.gz KYTKJRRCWSGCGS-JQWIXIFHSA-N 1 0 281.356 -1.151 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CC(=O)NCC ZINC001496969954 893563732 /nfs/dbraw/zinc/56/37/32/893563732.db2.gz UYXOOGQNEHHFPV-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C=C1CCC1 ZINC001496965672 893564948 /nfs/dbraw/zinc/56/49/48/893564948.db2.gz HADIRIHNNYEZHF-LLVKDONJSA-N 1 0 280.328 -1.197 20 30 CAEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC ZINC001496972670 893565950 /nfs/dbraw/zinc/56/59/50/893565950.db2.gz WYWOKHYQHCNQHD-GHMZBOCLSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001496976891 893566545 /nfs/dbraw/zinc/56/65/45/893566545.db2.gz ICBCTXHLELOWSV-NSHDSACASA-N 1 0 269.345 -1.199 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC ZINC001496972672 893566880 /nfs/dbraw/zinc/56/68/80/893566880.db2.gz WYWOKHYQHCNQHD-MNOVXSKESA-N 1 0 269.345 -1.009 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001496977555 893566970 /nfs/dbraw/zinc/56/69/70/893566970.db2.gz OHUYKXNSZJZDEQ-MNOVXSKESA-N 1 0 267.329 -1.399 20 30 CAEDRO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496978084 893569148 /nfs/dbraw/zinc/56/91/48/893569148.db2.gz VRRBEYFQOBHGIC-LLVKDONJSA-N 1 0 295.343 -1.372 20 30 CAEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001496972674 893569972 /nfs/dbraw/zinc/56/99/72/893569972.db2.gz WYWOKHYQHCNQHD-WDEREUQCSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001496983941 893571328 /nfs/dbraw/zinc/57/13/28/893571328.db2.gz YMWIOSNASANPHL-AAEUAGOBSA-N 1 0 291.351 -1.396 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001496980897 893571480 /nfs/dbraw/zinc/57/14/80/893571480.db2.gz QKUINTUYQLKGOZ-LBPRGKRZSA-N 1 0 293.367 -1.148 20 30 CAEDRO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001496983990 893571709 /nfs/dbraw/zinc/57/17/09/893571709.db2.gz YQLDDDKCDFYOEG-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C)C(N)=O ZINC001496980129 893572475 /nfs/dbraw/zinc/57/24/75/893572475.db2.gz MHYDHSIYCKEUFN-VHSXEESVSA-N 1 0 269.345 -1.024 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(CCOC)nn1 ZINC001496981811 893573136 /nfs/dbraw/zinc/57/31/36/893573136.db2.gz JLENKGPVHKDZOR-NSHDSACASA-N 1 0 295.343 -1.372 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001496979887 893573566 /nfs/dbraw/zinc/57/35/66/893573566.db2.gz KUKOIHSFOKJWDW-ZJUUUORDSA-N 1 0 295.343 -1.219 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496983956 893574189 /nfs/dbraw/zinc/57/41/89/893574189.db2.gz YMWIOSNASANPHL-DGCLKSJQSA-N 1 0 291.351 -1.396 20 30 CAEDRO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496990193 893574427 /nfs/dbraw/zinc/57/44/27/893574427.db2.gz GXDABBZDBBFKQQ-JTQLQIEISA-N 1 0 286.332 -2.368 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN(C)S(C)(=O)=O ZINC001496992264 893576425 /nfs/dbraw/zinc/57/64/25/893576425.db2.gz PERVIHJGWGFWTI-VIFPVBQESA-N 1 0 279.362 -1.870 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001496991820 893577151 /nfs/dbraw/zinc/57/71/51/893577151.db2.gz OKXSUGNEUWEMTB-SNVBAGLBSA-N 1 0 294.311 -2.753 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001497001519 893577360 /nfs/dbraw/zinc/57/73/60/893577360.db2.gz IILSADSZQVMBBG-RISCZKNCSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001497010883 893579673 /nfs/dbraw/zinc/57/96/73/893579673.db2.gz MWCORCKFLKJZKP-LBPRGKRZSA-N 1 0 296.371 -2.150 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001497011948 893580427 /nfs/dbraw/zinc/58/04/27/893580427.db2.gz PGUQDNASLNKYCP-LLVKDONJSA-N 1 0 263.297 -1.301 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001497013218 893581552 /nfs/dbraw/zinc/58/15/52/893581552.db2.gz WUNFJDSICGGUJL-LLVKDONJSA-N 1 0 282.344 -2.540 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001497008443 893582047 /nfs/dbraw/zinc/58/20/47/893582047.db2.gz AOFYSIQMYQVALM-VHSXEESVSA-N 1 0 293.327 -1.754 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001497018656 893582772 /nfs/dbraw/zinc/58/27/72/893582772.db2.gz TVWRXWHYQPKSGM-SNVBAGLBSA-N 1 0 276.300 -1.009 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001497025986 893584624 /nfs/dbraw/zinc/58/46/24/893584624.db2.gz XDYPUYQKMJWNCL-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001497032235 893585231 /nfs/dbraw/zinc/58/52/31/893585231.db2.gz HIACSFDDYGROGG-LLVKDONJSA-N 1 0 282.344 -2.492 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001497032660 893585594 /nfs/dbraw/zinc/58/55/94/893585594.db2.gz LKPFHDRKBWUKIG-SECBINFHSA-N 1 0 251.290 -1.183 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1csnn1 ZINC001497025671 893586066 /nfs/dbraw/zinc/58/60/66/893586066.db2.gz QOMPJJGAQPVBTR-QMMMGPOBSA-N 1 0 297.340 -2.032 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001497035311 893588098 /nfs/dbraw/zinc/58/80/98/893588098.db2.gz UWOXTLADKNGHNT-RKDXNWHRSA-N 1 0 256.306 -1.737 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001497035308 893589045 /nfs/dbraw/zinc/58/90/45/893589045.db2.gz UWOXTLADKNGHNT-BDAKNGLRSA-N 1 0 256.306 -1.737 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC(C)(F)F ZINC001497046358 893589652 /nfs/dbraw/zinc/58/96/52/893589652.db2.gz JJHAWWOGFDUCHC-VIFPVBQESA-N 1 0 291.298 -1.152 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001497042688 893590266 /nfs/dbraw/zinc/59/02/66/893590266.db2.gz ZODWGFORNNFKCP-WDEREUQCSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001497035318 893590306 /nfs/dbraw/zinc/59/03/06/893590306.db2.gz VBLRGXJKXKRRDJ-VHSXEESVSA-N 1 0 255.318 -1.235 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001497039495 893590749 /nfs/dbraw/zinc/59/07/49/893590749.db2.gz HNSDAGFUWTXBST-WCQYABFASA-N 1 0 288.319 -1.169 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001497037495 893591329 /nfs/dbraw/zinc/59/13/29/893591329.db2.gz LWXROWNANRLFMM-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497062311 893592248 /nfs/dbraw/zinc/59/22/48/893592248.db2.gz IGCOELWBACGEGH-WDEREUQCSA-N 1 0 279.340 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497062310 893592473 /nfs/dbraw/zinc/59/24/73/893592473.db2.gz IGCOELWBACGEGH-QWRGUYRKSA-N 1 0 279.340 -1.397 20 30 CAEDRO N#Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C(N)=O)ccc1F ZINC001497049073 893593481 /nfs/dbraw/zinc/59/34/81/893593481.db2.gz RCEUPGBPJJAGGT-SNVBAGLBSA-N 1 0 294.286 -1.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497062306 893593568 /nfs/dbraw/zinc/59/35/68/893593568.db2.gz IGCOELWBACGEGH-GHMZBOCLSA-N 1 0 279.340 -1.397 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001497058939 893594597 /nfs/dbraw/zinc/59/45/97/893594597.db2.gz UMTNKSSMIUHHRN-BBBLOLIVSA-N 1 0 271.317 -1.871 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497062308 893594835 /nfs/dbraw/zinc/59/48/35/893594835.db2.gz IGCOELWBACGEGH-MNOVXSKESA-N 1 0 279.340 -1.397 20 30 CAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001497069678 893597013 /nfs/dbraw/zinc/59/70/13/893597013.db2.gz BXSJGGYDHVCSAI-NHCYSSNCSA-N 1 0 285.344 -1.480 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001497065981 893597695 /nfs/dbraw/zinc/59/76/95/893597695.db2.gz YRCZBACRQRKQHK-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001497070962 893598818 /nfs/dbraw/zinc/59/88/18/893598818.db2.gz QVEIEPQGLMWWET-SNVBAGLBSA-N 1 0 281.312 -1.871 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001497082880 893601093 /nfs/dbraw/zinc/60/10/93/893601093.db2.gz ZHNPUENEPSTSTD-SNVBAGLBSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497090190 893602493 /nfs/dbraw/zinc/60/24/93/893602493.db2.gz BHOPLTMWWMLSIQ-SECBINFHSA-N 1 0 251.290 -1.563 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001497090458 893602571 /nfs/dbraw/zinc/60/25/71/893602571.db2.gz HFECEASWKZUGMQ-GHMZBOCLSA-N 1 0 282.344 -1.381 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001497103209 893604033 /nfs/dbraw/zinc/60/40/33/893604033.db2.gz BGENLMGQKVBVSQ-LLVKDONJSA-N 1 0 297.359 -1.467 20 30 CAEDRO Cc1c[nH]cc1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001497112729 893604113 /nfs/dbraw/zinc/60/41/13/893604113.db2.gz FIQGUGHNTCWGRO-JTQLQIEISA-N 1 0 293.327 -1.357 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cncn1 ZINC001497112766 893604608 /nfs/dbraw/zinc/60/46/08/893604608.db2.gz GWQKOSHLIPDGSB-SNVBAGLBSA-N 1 0 253.306 -1.079 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001497114270 893605532 /nfs/dbraw/zinc/60/55/32/893605532.db2.gz NRAWWBIRQQDJKX-GFCCVEGCSA-N 1 0 277.324 -1.062 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCO)nc1 ZINC001497097267 893606162 /nfs/dbraw/zinc/60/61/62/893606162.db2.gz UVNMUWRQHNOFRF-NSHDSACASA-N 1 0 263.297 -1.265 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001497126057 893607776 /nfs/dbraw/zinc/60/77/76/893607776.db2.gz KWPVBOVCVBIFLT-JTQLQIEISA-N 1 0 276.296 -1.506 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001497115436 893608270 /nfs/dbraw/zinc/60/82/70/893608270.db2.gz TVJBKWCVRBEAEF-SNVBAGLBSA-N 1 0 296.327 -2.030 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccnc1 ZINC001497125089 893608471 /nfs/dbraw/zinc/60/84/71/893608471.db2.gz FESSDUZFRDDOFB-LBPRGKRZSA-N 1 0 280.328 -1.400 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001497126455 893608519 /nfs/dbraw/zinc/60/85/19/893608519.db2.gz MHTLMRPPVNLPIV-UWVGGRQHSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001497117440 893608616 /nfs/dbraw/zinc/60/86/16/893608616.db2.gz GCJXJYQPONEUHC-RYUDHWBXSA-N 1 0 291.355 -1.151 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001497117404 893608771 /nfs/dbraw/zinc/60/87/71/893608771.db2.gz FOFANIMEXXZJRH-RYUDHWBXSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001497181455 893611281 /nfs/dbraw/zinc/61/12/81/893611281.db2.gz RKJXOXNDTXLHJC-UWVGGRQHSA-N 1 0 298.343 -1.119 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001497186823 893611330 /nfs/dbraw/zinc/61/13/30/893611330.db2.gz XCLYUXZBFRTMGB-UWVGGRQHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cnnn1C ZINC001497180468 893611335 /nfs/dbraw/zinc/61/13/35/893611335.db2.gz NTIFJRCWSHVDFJ-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001497140840 893611388 /nfs/dbraw/zinc/61/13/88/893611388.db2.gz MVBUYXYOONIJER-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001497140841 893611427 /nfs/dbraw/zinc/61/14/27/893611427.db2.gz MVBUYXYOONIJER-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)CC(N)=O ZINC001497368438 893617708 /nfs/dbraw/zinc/61/77/08/893617708.db2.gz NQSYMXXIKDMDNQ-JTQLQIEISA-N 1 0 282.344 -1.562 20 30 CAEDRO CC(=O)N(C)CC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497534271 893619043 /nfs/dbraw/zinc/61/90/43/893619043.db2.gz LXBDXZSIKGGMQX-ONEGZZNKSA-N 1 0 295.343 -1.634 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001497460738 893619065 /nfs/dbraw/zinc/61/90/65/893619065.db2.gz ROMHHARVAHQFDR-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CNC(=O)N1 ZINC001497441352 893619559 /nfs/dbraw/zinc/61/95/59/893619559.db2.gz BNQVMNXTOGAZPQ-JTQLQIEISA-N 1 0 295.343 -2.145 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497521148 893619656 /nfs/dbraw/zinc/61/96/56/893619656.db2.gz KYYCOTBQDILPTB-UMBAGQNISA-N 1 0 295.343 -1.587 20 30 CAEDRO CC(=O)N(C)CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497534270 893620321 /nfs/dbraw/zinc/62/03/21/893620321.db2.gz LXBDXZSIKGGMQX-ARJAWSKDSA-N 1 0 295.343 -1.634 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CNC(=O)N1 ZINC001497441353 893620760 /nfs/dbraw/zinc/62/07/60/893620760.db2.gz BNQVMNXTOGAZPQ-SNVBAGLBSA-N 1 0 295.343 -2.145 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cnn(C)n1 ZINC001497477063 893620792 /nfs/dbraw/zinc/62/07/92/893620792.db2.gz DKIAJWHCBMINDS-UHFFFAOYSA-N 1 0 293.331 -1.493 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C(N)=O ZINC001497447552 893621218 /nfs/dbraw/zinc/62/12/18/893621218.db2.gz NVDFXDSIILKOAC-VIFPVBQESA-N 1 0 270.333 -1.400 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)[C@H](C)NS(C)(=O)=O ZINC001497460737 893621352 /nfs/dbraw/zinc/62/13/52/893621352.db2.gz ROMHHARVAHQFDR-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)CC(N)=O)C1=O ZINC001497551091 893622767 /nfs/dbraw/zinc/62/27/67/893622767.db2.gz UNUHPCUSAUXIRP-PGLGOXFNSA-N 1 0 294.355 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnnn1C ZINC001497567409 893622825 /nfs/dbraw/zinc/62/28/25/893622825.db2.gz BXSOBZSEROUTFD-SNAWJCMRSA-N 1 0 292.343 -1.007 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ncc[nH]1 ZINC001497577978 893624805 /nfs/dbraw/zinc/62/48/05/893624805.db2.gz GXLBLHFOYFDNOX-OWOJBTEDSA-N 1 0 276.300 -1.075 20 30 CAEDRO COCC#CC[NH2+]C/C=C\CNC(=O)CS(C)(=O)=O ZINC001497540660 893624945 /nfs/dbraw/zinc/62/49/45/893624945.db2.gz AFLQYFKJGFRNRU-ARJAWSKDSA-N 1 0 288.369 -1.057 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)CC(N)=O)C1=O ZINC001497551088 893625063 /nfs/dbraw/zinc/62/50/63/893625063.db2.gz UNUHPCUSAUXIRP-BYCRGOAPSA-N 1 0 294.355 -1.089 20 30 CAEDRO COCC#CC[NH2+]C/C=C/CNC(=O)CS(C)(=O)=O ZINC001497540663 893625201 /nfs/dbraw/zinc/62/52/01/893625201.db2.gz AFLQYFKJGFRNRU-ONEGZZNKSA-N 1 0 288.369 -1.057 20 30 CAEDRO COCCC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497775341 893630720 /nfs/dbraw/zinc/63/07/20/893630720.db2.gz RLQIVTXTBIUELW-SECBINFHSA-N 1 0 256.306 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1nnn(C)n1 ZINC001497652220 893626838 /nfs/dbraw/zinc/62/68/38/893626838.db2.gz ZEBFXBDASAUXNQ-SNAWJCMRSA-N 1 0 291.315 -2.165 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1nnn(C)n1 ZINC001497652217 893628301 /nfs/dbraw/zinc/62/83/01/893628301.db2.gz ZEBFXBDASAUXNQ-PLNGDYQASA-N 1 0 291.315 -2.165 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001497770246 893630702 /nfs/dbraw/zinc/63/07/02/893630702.db2.gz KWYFVBDUUWXLHW-UMBAGQNISA-N 1 0 263.297 -1.066 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001497770244 893630757 /nfs/dbraw/zinc/63/07/57/893630757.db2.gz KWYFVBDUUWXLHW-FSIBCCDJSA-N 1 0 263.297 -1.066 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001497693466 893631812 /nfs/dbraw/zinc/63/18/12/893631812.db2.gz WYLSYCXGEUJKQX-WAYWQWQTSA-N 1 0 290.323 -1.407 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1cnn(C)c1 ZINC001497794355 893633510 /nfs/dbraw/zinc/63/35/10/893633510.db2.gz KOSUVEUKRCKVFT-SNVBAGLBSA-N 1 0 292.343 -1.303 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccon1 ZINC001497799710 893633919 /nfs/dbraw/zinc/63/39/19/893633919.db2.gz MPUWGAJJZSVQEA-SECBINFHSA-N 1 0 279.300 -1.049 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497784059 893634053 /nfs/dbraw/zinc/63/40/53/893634053.db2.gz CHDDZGVQSBGEAZ-SNVBAGLBSA-N 1 0 266.305 -1.583 20 30 CAEDRO COC(=O)NCC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497793475 893634332 /nfs/dbraw/zinc/63/43/32/893634332.db2.gz ZIBMQRJHKVNWIU-MRVPVSSYSA-N 1 0 285.304 -1.924 20 30 CAEDRO C#CCOCCC(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497815515 893634986 /nfs/dbraw/zinc/63/49/86/893634986.db2.gz GOEOLEHBNWEPNV-MNOVXSKESA-N 1 0 295.339 -1.074 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnnn1C ZINC001497810770 893635150 /nfs/dbraw/zinc/63/51/50/893635150.db2.gz BGJGMJMDHYZVOM-SECBINFHSA-N 1 0 278.316 -1.728 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001497842597 893639393 /nfs/dbraw/zinc/63/93/93/893639393.db2.gz MMNPKJZBNUXNSQ-SNVBAGLBSA-N 1 0 265.317 -1.301 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001497944172 893640891 /nfs/dbraw/zinc/64/08/91/893640891.db2.gz CLCVFHFJMRQSRO-BDAKNGLRSA-N 1 0 278.316 -1.350 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001497898898 893641864 /nfs/dbraw/zinc/64/18/64/893641864.db2.gz GAJGJUOAINWUKN-SECBINFHSA-N 1 0 293.327 -1.417 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CNC(=O)N1 ZINC001497894886 893641905 /nfs/dbraw/zinc/64/19/05/893641905.db2.gz MMBCKEPTDOGNLD-HTQZYQBOSA-N 1 0 282.304 -2.598 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001497884358 893642048 /nfs/dbraw/zinc/64/20/48/893642048.db2.gz SXEIDFKSBMZWQV-GHMZBOCLSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CNC(=O)OC ZINC001498016731 893644686 /nfs/dbraw/zinc/64/46/86/893644686.db2.gz AXLFLXHNPGAPQI-VIFPVBQESA-N 1 0 284.316 -1.814 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)Cn1cnnn1 ZINC001498009652 893645766 /nfs/dbraw/zinc/64/57/66/893645766.db2.gz CHDDZGVQSBGEAZ-JTQLQIEISA-N 1 0 266.305 -1.583 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001498037596 893648672 /nfs/dbraw/zinc/64/86/72/893648672.db2.gz AALFRCHHRWTJRY-CMPLNLGQSA-N 1 0 269.345 -1.153 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)C#N ZINC001498023619 893648729 /nfs/dbraw/zinc/64/87/29/893648729.db2.gz NXICQLIOSXVAIN-ZJUUUORDSA-N 1 0 250.302 -1.010 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001498048387 893648915 /nfs/dbraw/zinc/64/89/15/893648915.db2.gz FNHZDRYSULSHRV-JTQLQIEISA-N 1 0 280.328 -1.173 20 30 CAEDRO C#CCOCCC(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001498041775 893649161 /nfs/dbraw/zinc/64/91/61/893649161.db2.gz GOEOLEHBNWEPNV-QWRGUYRKSA-N 1 0 295.339 -1.074 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCc1nnc[nH]1 ZINC001498029082 893649306 /nfs/dbraw/zinc/64/93/06/893649306.db2.gz DWYQVCSQFUXHGH-VIFPVBQESA-N 1 0 293.331 -1.529 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001498046214 893649376 /nfs/dbraw/zinc/64/93/76/893649376.db2.gz HCOGSSAWHVYTFR-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)n1cncn1 ZINC001498032959 893649588 /nfs/dbraw/zinc/64/95/88/893649588.db2.gz FOISKOUPNMMLPR-QWRGUYRKSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001498023618 893649638 /nfs/dbraw/zinc/64/96/38/893649638.db2.gz NXICQLIOSXVAIN-UWVGGRQHSA-N 1 0 250.302 -1.010 20 30 CAEDRO CCn1nncc1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001498039392 893649683 /nfs/dbraw/zinc/64/96/83/893649683.db2.gz YOUCDZGXCGPXIJ-VIFPVBQESA-N 1 0 293.331 -1.354 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001498112402 893656964 /nfs/dbraw/zinc/65/69/64/893656964.db2.gz FMGMIIHAWDFHJT-SDDRHHMPSA-N 1 0 297.355 -1.237 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001498129666 893657836 /nfs/dbraw/zinc/65/78/36/893657836.db2.gz IDALWXKUJCFICJ-JTQLQIEISA-N 1 0 292.339 -1.185 20 30 CAEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001498127987 893658125 /nfs/dbraw/zinc/65/81/25/893658125.db2.gz RTLDYWFLDJTCRA-UWVGGRQHSA-N 1 0 298.343 -1.119 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001498112417 893658509 /nfs/dbraw/zinc/65/85/09/893658509.db2.gz FWAXAMROONWEEM-IINYFYTJSA-N 1 0 294.355 -1.644 20 30 CAEDRO CCn1cc(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)nn1 ZINC001498151232 893661589 /nfs/dbraw/zinc/66/15/89/893661589.db2.gz RLCZEMOCYDGFHW-VIFPVBQESA-N 1 0 293.331 -1.354 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001498351469 893670825 /nfs/dbraw/zinc/67/08/25/893670825.db2.gz NPMXAJFHTRTMFN-SECBINFHSA-N 1 0 276.362 -1.890 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001498351470 893671842 /nfs/dbraw/zinc/67/18/42/893671842.db2.gz NPMXAJFHTRTMFN-VIFPVBQESA-N 1 0 276.362 -1.890 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001498369557 893674865 /nfs/dbraw/zinc/67/48/65/893674865.db2.gz OAZWAXXSABABBJ-WDEREUQCSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)CNC(C)=O ZINC001498507304 893681797 /nfs/dbraw/zinc/68/17/97/893681797.db2.gz LLYNZBPQENRTIW-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC(=O)N1 ZINC001498520213 893681850 /nfs/dbraw/zinc/68/18/50/893681850.db2.gz LLZBRDMXJQMOJU-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H](C)NC(C)=O ZINC001498511561 893681863 /nfs/dbraw/zinc/68/18/63/893681863.db2.gz KSAGPCCLAUGGTK-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001498511559 893682004 /nfs/dbraw/zinc/68/20/04/893682004.db2.gz KSAGPCCLAUGGTK-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001498493258 893682253 /nfs/dbraw/zinc/68/22/53/893682253.db2.gz YBJXYNICXNHJOP-GHMZBOCLSA-N 1 0 294.355 -1.514 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N ZINC001498946326 893697210 /nfs/dbraw/zinc/69/72/10/893697210.db2.gz DYVOJMQBUYMEFP-NWDGAFQWSA-N 1 0 293.371 -1.089 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001499220540 893708749 /nfs/dbraw/zinc/70/87/49/893708749.db2.gz BBDYMEYVDURNKI-RKDXNWHRSA-N 1 0 295.299 -1.470 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2ncnn2)CC1 ZINC001499229245 893709989 /nfs/dbraw/zinc/70/99/89/893709989.db2.gz UXMHIKGWIJPTNN-UHFFFAOYSA-N 1 0 292.303 -2.449 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001499183456 893711384 /nfs/dbraw/zinc/71/13/84/893711384.db2.gz WJSWECKOMMSTIO-QMMMGPOBSA-N 1 0 281.316 -1.160 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)Cc2cc[nH]n2)CC1 ZINC001499189377 893711780 /nfs/dbraw/zinc/71/17/80/893711780.db2.gz XTIJQCIYQBGGLW-UHFFFAOYSA-N 1 0 290.327 -1.170 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CCNS(C)(=O)=O)CC1 ZINC001499241373 893712993 /nfs/dbraw/zinc/71/29/93/893712993.db2.gz YGTHUINGTNOIDZ-UHFFFAOYSA-N 1 0 273.358 -1.203 20 30 CAEDRO C=CC[NH2+]C1(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001499243929 893713339 /nfs/dbraw/zinc/71/33/39/893713339.db2.gz REZFLGBKUXLHFV-UHFFFAOYSA-N 1 0 292.339 -1.029 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001499335537 893717380 /nfs/dbraw/zinc/71/73/80/893717380.db2.gz UYYFQUQXJXZDLP-JTQLQIEISA-N 1 0 280.328 -1.444 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001499371175 893717835 /nfs/dbraw/zinc/71/78/35/893717835.db2.gz HNLPFGBLYZCUJT-NSHDSACASA-N 1 0 294.355 -1.372 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001499336546 893719238 /nfs/dbraw/zinc/71/92/38/893719238.db2.gz XGVYISKTUADPHW-MRVPVSSYSA-N 1 0 268.317 -1.599 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001499897245 893724799 /nfs/dbraw/zinc/72/47/99/893724799.db2.gz VGHMCHAMWSNARO-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CNC(C)=O ZINC001499865934 893726518 /nfs/dbraw/zinc/72/65/18/893726518.db2.gz DTJPJGYGTDTXNF-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001500221521 893731298 /nfs/dbraw/zinc/73/12/98/893731298.db2.gz UTDGAGXHJASXDC-CYBMUJFWSA-N 1 0 292.343 -1.097 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001500627060 893739939 /nfs/dbraw/zinc/73/99/39/893739939.db2.gz GYTNUSHBCGWXFY-AWEZNQCLSA-N 1 0 297.355 -1.675 20 30 CAEDRO C=CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500630894 893741159 /nfs/dbraw/zinc/74/11/59/893741159.db2.gz DNMUOYIIJGXFHT-LBPRGKRZSA-N 1 0 280.332 -1.198 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500631290 893741380 /nfs/dbraw/zinc/74/13/80/893741380.db2.gz MGJBDGFOBDUFNV-NSHDSACASA-N 1 0 266.305 -1.588 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001500689622 893744059 /nfs/dbraw/zinc/74/40/59/893744059.db2.gz NGSNPWWKTIVLFR-ZDUSSCGKSA-N 1 0 276.296 -1.018 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500677663 893746227 /nfs/dbraw/zinc/74/62/27/893746227.db2.gz OFVDDLVGBPYBEL-AAEUAGOBSA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001500683634 893747878 /nfs/dbraw/zinc/74/78/78/893747878.db2.gz IMCKQTIUUXHEOX-CYBMUJFWSA-N 1 0 282.344 -1.508 20 30 CAEDRO CC#CC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001500683901 893748122 /nfs/dbraw/zinc/74/81/22/893748122.db2.gz NQKNZOVTYBFZGO-ZDUSSCGKSA-N 1 0 282.344 -1.508 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001500758727 893751826 /nfs/dbraw/zinc/75/18/26/893751826.db2.gz JDNZRCQWXBNLBA-ZDUSSCGKSA-N 1 0 282.344 -1.379 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001500707815 893752801 /nfs/dbraw/zinc/75/28/01/893752801.db2.gz ZDHQTQOAVUBROL-MFKMUULPSA-N 1 0 267.329 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)NC)C[C@H]2C1 ZINC001501242356 893779534 /nfs/dbraw/zinc/77/95/34/893779534.db2.gz DPVRNJLHPQZZOR-TXEJJXNPSA-N 1 0 299.396 -1.051 20 30 CAEDRO C#CC[NH2+]C1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001501250835 893780237 /nfs/dbraw/zinc/78/02/37/893780237.db2.gz CDQLCNHAWNXNCD-UHFFFAOYSA-N 1 0 266.345 -1.335 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001501323741 893783767 /nfs/dbraw/zinc/78/37/67/893783767.db2.gz NFEGIHFHHHWUKF-OCCSQVGLSA-N 1 0 284.356 -1.040 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001501323739 893786992 /nfs/dbraw/zinc/78/69/92/893786992.db2.gz NFEGIHFHHHWUKF-JSGCOSHPSA-N 1 0 284.356 -1.040 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C1=COCCO1 ZINC001501433285 893794249 /nfs/dbraw/zinc/79/42/49/893794249.db2.gz AWSSRPAAJFJAML-UHFFFAOYSA-N 1 0 254.286 -1.082 20 30 CAEDRO CC(C)(F)C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N ZINC001501429397 893794272 /nfs/dbraw/zinc/79/42/72/893794272.db2.gz IPAYHKOVTDKLDF-UHFFFAOYSA-N 1 0 288.323 -1.215 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001501442790 893796870 /nfs/dbraw/zinc/79/68/70/893796870.db2.gz FPTKJVDRAVDJHZ-VHSXEESVSA-N 1 0 296.327 -1.638 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)CN(C)C(C)=O ZINC001501439896 893797602 /nfs/dbraw/zinc/79/76/02/893797602.db2.gz WPDXUFVGWYFBOA-UHFFFAOYSA-N 1 0 269.345 -1.102 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CO[C@@H]1CCOC1 ZINC001501458002 893799557 /nfs/dbraw/zinc/79/95/57/893799557.db2.gz LXIQKYPHFINAHA-GFCCVEGCSA-N 1 0 270.329 -1.164 20 30 CAEDRO C=CCOCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001501455958 893800646 /nfs/dbraw/zinc/80/06/46/893800646.db2.gz IAANYLGJCLSFMH-NWDGAFQWSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)CN1CCOCC1 ZINC001501450026 893801197 /nfs/dbraw/zinc/80/11/97/893801197.db2.gz DKLJDEGSXNQRNE-UHFFFAOYSA-N 1 0 283.372 -1.248 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CO[C@H]1CCOC1 ZINC001501458003 893802075 /nfs/dbraw/zinc/80/20/75/893802075.db2.gz LXIQKYPHFINAHA-LBPRGKRZSA-N 1 0 270.329 -1.164 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CCNC(=O)NC ZINC001501455109 893802156 /nfs/dbraw/zinc/80/21/56/893802156.db2.gz JTWZRPRCFHFYKN-UHFFFAOYSA-N 1 0 270.333 -1.651 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001501464410 893805595 /nfs/dbraw/zinc/80/55/95/893805595.db2.gz XWXNKAHOCZZBBF-UHFFFAOYSA-N 1 0 269.345 -1.068 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001501484297 893808571 /nfs/dbraw/zinc/80/85/71/893808571.db2.gz LQQCUSHDIFREBC-LLVKDONJSA-N 1 0 267.329 -1.492 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)C(N)=O)CCC1 ZINC001501995737 893829255 /nfs/dbraw/zinc/82/92/55/893829255.db2.gz GCUIDGIUIWWXJM-UHFFFAOYSA-N 1 0 253.302 -1.250 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)COCC)CCO1 ZINC001502035846 893833188 /nfs/dbraw/zinc/83/31/88/893833188.db2.gz IZTVOMBAAFMCSD-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO COCCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001502033685 893833310 /nfs/dbraw/zinc/83/33/10/893833310.db2.gz IZDGDOZBYGTIPR-LLVKDONJSA-N 1 0 298.343 -1.520 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001502051028 893834736 /nfs/dbraw/zinc/83/47/36/893834736.db2.gz IFLDIAYHBODXKV-SNVBAGLBSA-N 1 0 263.301 -1.121 20 30 CAEDRO COCCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001502033686 893835882 /nfs/dbraw/zinc/83/58/82/893835882.db2.gz IZDGDOZBYGTIPR-NSHDSACASA-N 1 0 298.343 -1.520 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CS(=O)(=O)NC)CCC1 ZINC001502028406 893837048 /nfs/dbraw/zinc/83/70/48/893837048.db2.gz ZQOBMMWPVCADBJ-UHFFFAOYSA-N 1 0 273.358 -1.203 20 30 CAEDRO CN(CCC[N@H+](C)CC(=O)NCC#N)C(=O)c1cn[nH]n1 ZINC001502349810 893844786 /nfs/dbraw/zinc/84/47/86/893844786.db2.gz DLIMAEQPNRCZEG-UHFFFAOYSA-N 1 0 293.331 -1.162 20 30 CAEDRO COCC#CC[NH2+]CC1(NC(=O)C(N)=O)CCOCC1 ZINC001502634087 893855458 /nfs/dbraw/zinc/85/54/58/893855458.db2.gz UZUYJDFXAQQPKY-UHFFFAOYSA-N 1 0 283.328 -1.624 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001502731297 893859286 /nfs/dbraw/zinc/85/92/86/893859286.db2.gz LTITVSMRBPMDAO-ZJUUUORDSA-N 1 0 288.373 -1.890 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C ZINC001502731296 893860099 /nfs/dbraw/zinc/86/00/99/893860099.db2.gz LTITVSMRBPMDAO-VHSXEESVSA-N 1 0 288.373 -1.890 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001502852282 893862767 /nfs/dbraw/zinc/86/27/67/893862767.db2.gz RHFFCDHDHONPMX-UHFFFAOYSA-N 1 0 278.316 -1.751 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)CNC(C)=O)CC1 ZINC001502850307 893863881 /nfs/dbraw/zinc/86/38/81/893863881.db2.gz SMNZMGHDSRWLCG-UHFFFAOYSA-N 1 0 267.329 -1.301 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001502968224 893864354 /nfs/dbraw/zinc/86/43/54/893864354.db2.gz LHAGKRMWTWJVNK-VHSXEESVSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001503413937 893867177 /nfs/dbraw/zinc/86/71/77/893867177.db2.gz BQWSXJKCTHBXRD-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C[C@@H](CCNC(=O)[C@H]1CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001503414632 893867610 /nfs/dbraw/zinc/86/76/10/893867610.db2.gz ZQQHZAUSFNHXIO-VHSXEESVSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001503899122 893867646 /nfs/dbraw/zinc/86/76/46/893867646.db2.gz BEVAAHQZBUUSAB-ZDUSSCGKSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001503299273 893867819 /nfs/dbraw/zinc/86/78/19/893867819.db2.gz OPNPXZZPGLXWSU-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C[C@@H](CCNC(=O)[C@@H]1COCCO1)[NH2+]CC(=O)NCC#N ZINC001503094694 893868390 /nfs/dbraw/zinc/86/83/90/893868390.db2.gz SGQMCODYSJNTQM-QWRGUYRKSA-N 1 0 298.343 -1.474 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001505375844 893873221 /nfs/dbraw/zinc/87/32/21/893873221.db2.gz IBBQTUAOCNJEDD-UHFFFAOYSA-N 1 0 278.316 -1.751 20 30 CAEDRO CC(=O)NCC(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001505476938 893877270 /nfs/dbraw/zinc/87/72/70/893877270.db2.gz DUYCPVVTVFDLCW-UHFFFAOYSA-N 1 0 295.343 -1.753 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CNC(=O)NC ZINC001505618229 893883730 /nfs/dbraw/zinc/88/37/30/893883730.db2.gz IPCVTXBDCHZAHS-ZJUUUORDSA-N 1 0 299.375 -1.300 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001505606915 893883907 /nfs/dbraw/zinc/88/39/07/893883907.db2.gz YBJUWFCKDRIRMD-UWVGGRQHSA-N 1 0 295.347 -1.542 20 30 CAEDRO C[C@@H](NC(=O)c1ncn(C)n1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001505598169 893886445 /nfs/dbraw/zinc/88/64/45/893886445.db2.gz AEEFCZDYSPUPKL-RKDXNWHRSA-N 1 0 293.331 -1.449 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001505671425 893888973 /nfs/dbraw/zinc/88/89/73/893888973.db2.gz RKDUBZVHODOAQD-IUCAKERBSA-N 1 0 293.331 -1.944 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505661719 893889294 /nfs/dbraw/zinc/88/92/94/893889294.db2.gz ZBNXSKMXSKAVPP-UWVGGRQHSA-N 1 0 290.389 -1.454 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505661720 893891435 /nfs/dbraw/zinc/89/14/35/893891435.db2.gz ZBNXSKMXSKAVPP-VHSXEESVSA-N 1 0 290.389 -1.454 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001505680822 893891984 /nfs/dbraw/zinc/89/19/84/893891984.db2.gz FTNWYJNZHYVUGV-ZJUUUORDSA-N 1 0 294.355 -1.516 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001505991703 893911708 /nfs/dbraw/zinc/91/17/08/893911708.db2.gz YLWGXBHTQJGHRU-QWRGUYRKSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001506008086 893912631 /nfs/dbraw/zinc/91/26/31/893912631.db2.gz PCCZGLQCUVZUFH-ZJUUUORDSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001506008083 893913430 /nfs/dbraw/zinc/91/34/30/893913430.db2.gz PCCZGLQCUVZUFH-NXEZZACHSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001506064843 893916748 /nfs/dbraw/zinc/91/67/48/893916748.db2.gz DQXZBMOKLSEVIR-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001507173068 893969250 /nfs/dbraw/zinc/96/92/50/893969250.db2.gz URJKDTOLLMVJDD-SNVBAGLBSA-N 1 0 254.286 -1.035 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001506772372 893939881 /nfs/dbraw/zinc/93/98/81/893939881.db2.gz JVWJJZKRVFZJFU-KYXWUPHJSA-N 1 0 250.302 -1.075 20 30 CAEDRO COCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001506830214 893941911 /nfs/dbraw/zinc/94/19/11/893941911.db2.gz DSJJYQOPFLMCSV-QWRGUYRKSA-N 1 0 298.343 -1.522 20 30 CAEDRO C=CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001506777124 893942277 /nfs/dbraw/zinc/94/22/77/893942277.db2.gz PBAXXTUSYLUDLJ-RTCCRHLQSA-N 1 0 294.355 -1.542 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CS(=O)(=O)NC)[C@@H]2C1 ZINC001506829445 893942812 /nfs/dbraw/zinc/94/28/12/893942812.db2.gz VCZOEBOVBAFQGE-CNDDSTCGSA-N 1 0 299.396 -1.147 20 30 CAEDRO COCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001506830212 893943485 /nfs/dbraw/zinc/94/34/85/893943485.db2.gz DSJJYQOPFLMCSV-MNOVXSKESA-N 1 0 298.343 -1.522 20 30 CAEDRO C=CCOCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506846618 893948110 /nfs/dbraw/zinc/94/81/10/893948110.db2.gz WSIZCSWAFVLNMA-MNOVXSKESA-N 1 0 285.344 -1.120 20 30 CAEDRO CC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001507049863 893952304 /nfs/dbraw/zinc/95/23/04/893952304.db2.gz VEVJPFBAEODZQM-JTQLQIEISA-N 1 0 297.359 -1.459 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCNC(=O)C(N)=O)C(C)C ZINC001506990705 893952784 /nfs/dbraw/zinc/95/27/84/893952784.db2.gz RYBWEFVASJGPOF-GHMZBOCLSA-N 1 0 296.371 -1.270 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001507111285 893954632 /nfs/dbraw/zinc/95/46/32/893954632.db2.gz SXTMQAZBDDRYIY-WDEREUQCSA-N 1 0 296.371 -1.316 20 30 CAEDRO CC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001507049864 893955596 /nfs/dbraw/zinc/95/55/96/893955596.db2.gz VEVJPFBAEODZQM-SNVBAGLBSA-N 1 0 297.359 -1.459 20 30 CAEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001507079819 893956408 /nfs/dbraw/zinc/95/64/08/893956408.db2.gz OTLMWEGBULHYEP-SECBINFHSA-N 1 0 280.332 -1.001 20 30 CAEDRO Cc1n[nH]nc1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001507105133 893956618 /nfs/dbraw/zinc/95/66/18/893956618.db2.gz GLQXWZDBXVPCJZ-QMMMGPOBSA-N 1 0 293.331 -1.197 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001507111282 893956786 /nfs/dbraw/zinc/95/67/86/893956786.db2.gz SXTMQAZBDDRYIY-MNOVXSKESA-N 1 0 296.371 -1.316 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC(N)=O ZINC001507061765 893956825 /nfs/dbraw/zinc/95/68/25/893956825.db2.gz XACDALCOSJGJRN-VHSXEESVSA-N 1 0 282.344 -1.564 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001507071344 893956891 /nfs/dbraw/zinc/95/68/91/893956891.db2.gz LISUNRVOYBYXNL-ZJUUUORDSA-N 1 0 255.318 -1.054 20 30 CAEDRO C[C@H](CN(C)C(=O)Cn1ccnc1)[NH2+]CC(=O)NCC#N ZINC001507164161 893961829 /nfs/dbraw/zinc/96/18/29/893961829.db2.gz PTYCWFFBHOMGQM-LLVKDONJSA-N 1 0 292.343 -1.041 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)COC)C1=O ZINC001507168255 893966014 /nfs/dbraw/zinc/96/60/14/893966014.db2.gz NTYYVVFLNOEVID-QWRGUYRKSA-N 1 0 285.344 -1.514 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CCC ZINC001507167701 893966591 /nfs/dbraw/zinc/96/65/91/893966591.db2.gz MWFAZVSLZKJIID-QWRGUYRKSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CCC ZINC001507167696 893966805 /nfs/dbraw/zinc/96/68/05/893966805.db2.gz MWFAZVSLZKJIID-GHMZBOCLSA-N 1 0 269.345 -1.009 20 30 CAEDRO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CSCC#N ZINC001507175230 893969088 /nfs/dbraw/zinc/96/90/88/893969088.db2.gz ROSSMTXIACUABZ-DTWKUNHWSA-N 1 0 261.347 -1.309 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001507176833 893969671 /nfs/dbraw/zinc/96/96/71/893969671.db2.gz CFBWAHCCTKQVNQ-NXEZZACHSA-N 1 0 282.344 -1.166 20 30 CAEDRO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CSCC#N ZINC001507175329 893969703 /nfs/dbraw/zinc/96/97/03/893969703.db2.gz ROSSMTXIACUABZ-IUCAKERBSA-N 1 0 261.347 -1.309 20 30 CAEDRO C=CCOCC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001507177190 893969876 /nfs/dbraw/zinc/96/98/76/893969876.db2.gz FRNQUGPEJWWDMX-MNOVXSKESA-N 1 0 285.344 -1.514 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001507176338 893970103 /nfs/dbraw/zinc/97/01/03/893970103.db2.gz GKTSHQOTYGEPNG-WDEREUQCSA-N 1 0 298.343 -1.738 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc[nH]1 ZINC001507172626 893970126 /nfs/dbraw/zinc/97/01/26/893970126.db2.gz NHBIALSFZIZUAB-WDEREUQCSA-N 1 0 292.339 -1.167 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001507176836 893970812 /nfs/dbraw/zinc/97/08/12/893970812.db2.gz CFBWAHCCTKQVNQ-ZJUUUORDSA-N 1 0 282.344 -1.166 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001507173883 893970832 /nfs/dbraw/zinc/97/08/32/893970832.db2.gz HLJCIJNAAZWQGH-SECBINFHSA-N 1 0 295.303 -3.511 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001507173884 893970992 /nfs/dbraw/zinc/97/09/92/893970992.db2.gz HLJCIJNAAZWQGH-VIFPVBQESA-N 1 0 295.303 -3.511 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCn1cccn1 ZINC001507175204 893971114 /nfs/dbraw/zinc/97/11/14/893971114.db2.gz RDJBPPNOOAZOMU-NSHDSACASA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001507174904 893971328 /nfs/dbraw/zinc/97/13/28/893971328.db2.gz MKAKMNUYDMOYPS-NSHDSACASA-N 1 0 293.327 -2.150 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001507177932 893973006 /nfs/dbraw/zinc/97/30/06/893973006.db2.gz GIECOMBITRSQJQ-VXGBXAGGSA-N 1 0 270.329 -1.261 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CNC(=O)OC ZINC001507179290 893974884 /nfs/dbraw/zinc/97/48/84/893974884.db2.gz LAADFEXTOREQDW-VIFPVBQESA-N 1 0 257.290 -1.568 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001507179393 893975673 /nfs/dbraw/zinc/97/56/73/893975673.db2.gz WWAPHOUJFKTBMH-MWLCHTKSSA-N 1 0 293.327 -1.772 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccnn1C ZINC001507178788 893976068 /nfs/dbraw/zinc/97/60/68/893976068.db2.gz JUWKOXQAYBOHKI-NSHDSACASA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccnn1C ZINC001507180651 893977783 /nfs/dbraw/zinc/97/77/83/893977783.db2.gz RQUVHRYYJGOGMW-JTQLQIEISA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccnn1C ZINC001507180652 893978155 /nfs/dbraw/zinc/97/81/55/893978155.db2.gz RQUVHRYYJGOGMW-SNVBAGLBSA-N 1 0 293.327 -2.150 20 30 CAEDRO CC(C)(C)C(=O)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001507182145 893978243 /nfs/dbraw/zinc/97/82/43/893978243.db2.gz HFCDWLORPQZODO-SECBINFHSA-N 1 0 298.343 -1.692 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001507183539 893978507 /nfs/dbraw/zinc/97/85/07/893978507.db2.gz QFDVDXYJMDXPAW-LLVKDONJSA-N 1 0 293.327 -2.232 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nccnc1N ZINC001507183376 893979711 /nfs/dbraw/zinc/97/97/11/893979711.db2.gz RNYVVSSAUWJVOF-VIFPVBQESA-N 1 0 263.301 -1.238 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001507180327 893979772 /nfs/dbraw/zinc/97/97/72/893979772.db2.gz UFEHECZEQVXKPF-ZJUUUORDSA-N 1 0 266.301 -2.038 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001507187583 893981611 /nfs/dbraw/zinc/98/16/11/893981611.db2.gz DSDBYQIBRSLOFJ-SECBINFHSA-N 1 0 251.290 -1.481 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001507186211 893983859 /nfs/dbraw/zinc/98/38/59/893983859.db2.gz TZWAHBVXUCXOML-SNVBAGLBSA-N 1 0 293.327 -1.345 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CNC(=O)N1CCCC1 ZINC001507194817 893986692 /nfs/dbraw/zinc/98/66/92/893986692.db2.gz RTYCWWYISRFOJU-GFCCVEGCSA-N 1 0 296.371 -1.118 20 30 CAEDRO CC[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC1CC1)C(N)=O ZINC001507194698 893986745 /nfs/dbraw/zinc/98/67/45/893986745.db2.gz PZIWGGLQNRBARX-WDEREUQCSA-N 1 0 267.329 -1.270 20 30 CAEDRO CC(C)(C)C#CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001507192020 893987270 /nfs/dbraw/zinc/98/72/70/893987270.db2.gz FLDTYLPFMOZFOG-SECBINFHSA-N 1 0 298.343 -1.703 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001507191746 893988420 /nfs/dbraw/zinc/98/84/20/893988420.db2.gz CRBMFMSZEDRHGX-STQMWFEESA-N 1 0 282.340 -1.259 20 30 CAEDRO CC(C)(C)C#CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001507192026 893988499 /nfs/dbraw/zinc/98/84/99/893988499.db2.gz FLDTYLPFMOZFOG-VIFPVBQESA-N 1 0 298.343 -1.703 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CC1OCCCO1 ZINC001507196514 893988876 /nfs/dbraw/zinc/98/88/76/893988876.db2.gz XXXVESQXWATCEB-SNVBAGLBSA-N 1 0 256.302 -1.161 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001507201646 893991419 /nfs/dbraw/zinc/99/14/19/893991419.db2.gz ITAUUVPYOROFLN-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001507202756 893991627 /nfs/dbraw/zinc/99/16/27/893991627.db2.gz YQADKXZWBWEMRD-ZJUUUORDSA-N 1 0 291.373 -1.986 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001507200957 893992794 /nfs/dbraw/zinc/99/27/94/893992794.db2.gz FVCKRGWFDODGKU-NEPJUHHUSA-N 1 0 297.355 -1.819 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CN(C)C(=O)COC ZINC001507203549 893992254 /nfs/dbraw/zinc/99/22/54/893992254.db2.gz OJCVKGFXCRPPHO-NSHDSACASA-N 1 0 285.344 -1.819 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001507201895 893993315 /nfs/dbraw/zinc/99/33/15/893993315.db2.gz PNMADGXMXJTUJZ-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001507202754 893993923 /nfs/dbraw/zinc/99/39/23/893993923.db2.gz YQADKXZWBWEMRD-VHSXEESVSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001507214625 893995665 /nfs/dbraw/zinc/99/56/65/893995665.db2.gz IPJRNLMFEWHBEQ-NEPJUHHUSA-N 1 0 291.355 -1.070 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001507210492 893995881 /nfs/dbraw/zinc/99/58/81/893995881.db2.gz BGNFPQQWQKTTAA-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001507210491 893997000 /nfs/dbraw/zinc/99/70/00/893997000.db2.gz BGNFPQQWQKTTAA-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001507205618 893997276 /nfs/dbraw/zinc/99/72/76/893997276.db2.gz MWDIRFZWYGRLDV-GXFFZTMASA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cncn1C ZINC001507214670 893997338 /nfs/dbraw/zinc/99/73/38/893997338.db2.gz NBWWAYVDHALROY-JTQLQIEISA-N 1 0 295.343 -1.597 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001507203651 893997678 /nfs/dbraw/zinc/99/76/78/893997678.db2.gz UWQUGSMIFHLVNB-QMMMGPOBSA-N 1 0 252.274 -1.263 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001507204470 893997686 /nfs/dbraw/zinc/99/76/86/893997686.db2.gz RKBNZDLXHCCWAG-MRVPVSSYSA-N 1 0 274.284 -1.334 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001507203775 893997866 /nfs/dbraw/zinc/99/78/66/893997866.db2.gz SVNYXNVBZNGCTG-LLVKDONJSA-N 1 0 290.323 -1.577 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CCN1C(=O)CCC1=O ZINC001507216000 893999226 /nfs/dbraw/zinc/99/92/26/893999226.db2.gz LIPODYHDGJCIQG-NSHDSACASA-N 1 0 295.339 -1.385 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1[nH]nnc1C ZINC001507224228 893999739 /nfs/dbraw/zinc/99/97/39/893999739.db2.gz GJCBDLJBVAZRKF-VIFPVBQESA-N 1 0 294.315 -2.457 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCn1ncn(C)c1=O ZINC001507219341 894000000 /nfs/dbraw/zinc/00/00/00/894000000.db2.gz QTTSEPURSYSKPJ-LLVKDONJSA-N 1 0 297.359 -1.385 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1cncc1C ZINC001507219257 894000340 /nfs/dbraw/zinc/00/03/40/894000340.db2.gz OMUJFNWNYUVENA-LLVKDONJSA-N 1 0 250.302 -1.109 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001507223949 894002949 /nfs/dbraw/zinc/00/29/49/894002949.db2.gz AHIZKQQGVVLNFQ-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1csnn1 ZINC001507224800 894002999 /nfs/dbraw/zinc/00/29/99/894002999.db2.gz ZSMCWYIPAVYHRL-QMMMGPOBSA-N 1 0 299.356 -1.479 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001507227659 894004012 /nfs/dbraw/zinc/00/40/12/894004012.db2.gz XVLYNPPLXLIJKA-NEPJUHHUSA-N 1 0 297.355 -1.676 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001507227128 894004347 /nfs/dbraw/zinc/00/43/47/894004347.db2.gz VTBCIURBFALCQO-NXEZZACHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001507228822 894004451 /nfs/dbraw/zinc/00/44/51/894004451.db2.gz HGWOGICXWADCLK-ZJUUUORDSA-N 1 0 270.333 -1.299 20 30 CAEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001507228820 894004604 /nfs/dbraw/zinc/00/46/04/894004604.db2.gz HGWOGICXWADCLK-UWVGGRQHSA-N 1 0 270.333 -1.299 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001507226561 894004992 /nfs/dbraw/zinc/00/49/92/894004992.db2.gz CPBFQIOYBJOZBF-QWRGUYRKSA-N 1 0 291.355 -1.380 20 30 CAEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001507228819 894005031 /nfs/dbraw/zinc/00/50/31/894005031.db2.gz HGWOGICXWADCLK-NXEZZACHSA-N 1 0 270.333 -1.299 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001507227622 894005617 /nfs/dbraw/zinc/00/56/17/894005617.db2.gz XXXDJQPYWGGPCQ-MNOVXSKESA-N 1 0 283.328 -2.161 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001507228137 894007498 /nfs/dbraw/zinc/00/74/98/894007498.db2.gz XXXDJQPYWGGPCQ-WDEREUQCSA-N 1 0 283.328 -2.161 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001507226563 894008058 /nfs/dbraw/zinc/00/80/58/894008058.db2.gz CPBFQIOYBJOZBF-WDEREUQCSA-N 1 0 291.355 -1.380 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001507234895 894009347 /nfs/dbraw/zinc/00/93/47/894009347.db2.gz GWFNWOUUYFQPTN-SECBINFHSA-N 1 0 266.301 -1.171 20 30 CAEDRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NCC#N)C1 ZINC001507231941 894009645 /nfs/dbraw/zinc/00/96/45/894009645.db2.gz IHMVKPPXOSJSMJ-GHMZBOCLSA-N 1 0 254.334 -1.082 20 30 CAEDRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NCC#N)C1 ZINC001507231944 894011713 /nfs/dbraw/zinc/01/17/13/894011713.db2.gz IHMVKPPXOSJSMJ-MNOVXSKESA-N 1 0 254.334 -1.082 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001507234907 894012764 /nfs/dbraw/zinc/01/27/64/894012764.db2.gz HACKTEHLYJUONO-MRVPVSSYSA-N 1 0 299.306 -1.469 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](CC)NC(C)=O ZINC001507237174 894015501 /nfs/dbraw/zinc/01/55/01/894015501.db2.gz BKWPKKDSBVDRJZ-NWDGAFQWSA-N 1 0 269.345 -1.009 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cccnn1 ZINC001507242263 894016495 /nfs/dbraw/zinc/01/64/95/894016495.db2.gz FOYRAZVWXVHLPV-NSHDSACASA-N 1 0 278.312 -1.193 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001507235533 894018446 /nfs/dbraw/zinc/01/84/46/894018446.db2.gz UTEDCPGQUQGPRX-FZMZJTMJSA-N 1 0 297.355 -1.628 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](CC)NC(C)=O ZINC001507237173 894018592 /nfs/dbraw/zinc/01/85/92/894018592.db2.gz BKWPKKDSBVDRJZ-NEPJUHHUSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(CC=C)nn1 ZINC001507246736 894021400 /nfs/dbraw/zinc/02/14/00/894021400.db2.gz RCVVBNASYSBGFV-SNVBAGLBSA-N 1 0 263.301 -1.222 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCCS(C)(=O)=O ZINC001507244447 894021543 /nfs/dbraw/zinc/02/15/43/894021543.db2.gz PPZCAEMYBSGAOM-SNVBAGLBSA-N 1 0 276.358 -1.489 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001507253807 894025743 /nfs/dbraw/zinc/02/57/43/894025743.db2.gz FYMIVHSFAIZVSV-SECBINFHSA-N 1 0 251.290 -1.563 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001507260586 894026780 /nfs/dbraw/zinc/02/67/80/894026780.db2.gz OVFNYKAGHVTZLY-VIFPVBQESA-N 1 0 284.316 -1.819 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001507260308 894027749 /nfs/dbraw/zinc/02/77/49/894027749.db2.gz JVMDOCWOBLUUAH-JTQLQIEISA-N 1 0 278.312 -1.183 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001507258215 894027804 /nfs/dbraw/zinc/02/78/04/894027804.db2.gz TWEKFOHRGPRHAM-SNVBAGLBSA-N 1 0 278.312 -1.516 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001507260506 894028166 /nfs/dbraw/zinc/02/81/66/894028166.db2.gz NKXOTEXOLFPDDR-VHSXEESVSA-N 1 0 296.327 -1.935 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001507260529 894029056 /nfs/dbraw/zinc/02/90/56/894029056.db2.gz NUTIWJUCLORHDI-MRVPVSSYSA-N 1 0 277.284 -2.111 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001507260505 894029340 /nfs/dbraw/zinc/02/93/40/894029340.db2.gz NKXOTEXOLFPDDR-UWVGGRQHSA-N 1 0 296.327 -1.935 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001507261063 894029504 /nfs/dbraw/zinc/02/95/04/894029504.db2.gz OCGHPIMLGHWOPN-ZJUUUORDSA-N 1 0 289.357 -2.232 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001507260530 894029701 /nfs/dbraw/zinc/02/97/01/894029701.db2.gz NUTIWJUCLORHDI-QMMMGPOBSA-N 1 0 277.284 -2.111 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001507261056 894030303 /nfs/dbraw/zinc/03/03/03/894030303.db2.gz OCGHPIMLGHWOPN-NXEZZACHSA-N 1 0 289.357 -2.232 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001507260507 894030544 /nfs/dbraw/zinc/03/05/44/894030544.db2.gz NKXOTEXOLFPDDR-ZJUUUORDSA-N 1 0 296.327 -1.935 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001507258555 894030847 /nfs/dbraw/zinc/03/08/47/894030847.db2.gz CMHUUKLHXDEEIB-JTQLQIEISA-N 1 0 283.328 -1.222 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001507264073 894031397 /nfs/dbraw/zinc/03/13/97/894031397.db2.gz FUQHLIXCVPZZNR-SECBINFHSA-N 1 0 296.331 -1.980 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001507276160 894033076 /nfs/dbraw/zinc/03/30/76/894033076.db2.gz ZOUHZYMHVJCVST-NXEZZACHSA-N 1 0 282.344 -1.257 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001507264564 894033601 /nfs/dbraw/zinc/03/36/01/894033601.db2.gz HFHHBVZRRHLESV-NSHDSACASA-N 1 0 293.327 -1.736 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)N(C)C ZINC001507263339 894034284 /nfs/dbraw/zinc/03/42/84/894034284.db2.gz VGYBDJCWMFNSLV-JTQLQIEISA-N 1 0 293.389 -1.479 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001507261977 894034985 /nfs/dbraw/zinc/03/49/85/894034985.db2.gz JCKRREMPTBTIMI-JTQLQIEISA-N 1 0 281.316 -2.410 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001507265089 894035504 /nfs/dbraw/zinc/03/55/04/894035504.db2.gz OZNBZLNRYADAAQ-MRVPVSSYSA-N 1 0 280.288 -2.923 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001507276161 894035921 /nfs/dbraw/zinc/03/59/21/894035921.db2.gz ZOUHZYMHVJCVST-VHSXEESVSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001507263758 894036542 /nfs/dbraw/zinc/03/65/42/894036542.db2.gz CRNLNBXTOBFMPS-SECBINFHSA-N 1 0 294.315 -2.533 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1C ZINC001507286575 894037718 /nfs/dbraw/zinc/03/77/18/894037718.db2.gz ZVNFWRWXYTTXEB-ZJUUUORDSA-N 1 0 290.389 -1.195 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001507307341 894038152 /nfs/dbraw/zinc/03/81/52/894038152.db2.gz TUEUQGBPMKTZAL-VHSXEESVSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001507286572 894039452 /nfs/dbraw/zinc/03/94/52/894039452.db2.gz ZVNFWRWXYTTXEB-VHSXEESVSA-N 1 0 290.389 -1.195 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001507412398 894042108 /nfs/dbraw/zinc/04/21/08/894042108.db2.gz WEVZZQFRSOTJKT-WDEREUQCSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(F)F ZINC001507456250 894043901 /nfs/dbraw/zinc/04/39/01/894043901.db2.gz GCBKSPLJRQNKBI-RKDXNWHRSA-N 1 0 291.298 -1.202 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C1CCC1 ZINC001507459064 894046140 /nfs/dbraw/zinc/04/61/40/894046140.db2.gz XVFMKKTUJNNOHD-NSHDSACASA-N 1 0 282.344 -1.165 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001507412375 894045833 /nfs/dbraw/zinc/04/58/33/894045833.db2.gz WEVZZQFRSOTJKT-MNOVXSKESA-N 1 0 267.329 -1.004 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001507472578 894048385 /nfs/dbraw/zinc/04/83/85/894048385.db2.gz WZYLWECCXSHHRD-WDEREUQCSA-N 1 0 297.359 -1.420 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001507472575 894050203 /nfs/dbraw/zinc/05/02/03/894050203.db2.gz WZYLWECCXSHHRD-GHMZBOCLSA-N 1 0 297.359 -1.420 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001507471533 894050973 /nfs/dbraw/zinc/05/09/73/894050973.db2.gz RCWOAUALMBREMU-NEPJUHHUSA-N 1 0 271.361 -1.088 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001507465674 894051067 /nfs/dbraw/zinc/05/10/67/894051067.db2.gz LROKPJLENSUUMY-SNVBAGLBSA-N 1 0 295.343 -1.266 20 30 CAEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001507475576 894052412 /nfs/dbraw/zinc/05/24/12/894052412.db2.gz ZFIIBNGZEZFUKC-KCJUWKMLSA-N 1 0 293.327 -1.217 20 30 CAEDRO C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC ZINC001507475749 894052614 /nfs/dbraw/zinc/05/26/14/894052614.db2.gz RERLLLWODZQQTO-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001507475577 894052842 /nfs/dbraw/zinc/05/28/42/894052842.db2.gz ZFIIBNGZEZFUKC-KWQFWETISA-N 1 0 293.327 -1.217 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001507479925 894053753 /nfs/dbraw/zinc/05/37/53/894053753.db2.gz AHAZOQNQCHUGSE-UWVGGRQHSA-N 1 0 270.333 -1.525 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001507479927 894054155 /nfs/dbraw/zinc/05/41/55/894054155.db2.gz AHAZOQNQCHUGSE-ZJUUUORDSA-N 1 0 270.333 -1.525 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001507485135 894054766 /nfs/dbraw/zinc/05/47/66/894054766.db2.gz QUACDOZFJYTXJR-GFCCVEGCSA-N 1 0 297.355 -1.723 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(CC)n1 ZINC001507478687 894055439 /nfs/dbraw/zinc/05/54/39/894055439.db2.gz HCQIPZJDMWXTJZ-JTQLQIEISA-N 1 0 265.317 -1.046 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001507484258 894055849 /nfs/dbraw/zinc/05/58/49/894055849.db2.gz ZGRTYYCADAGPIX-NWDGAFQWSA-N 1 0 281.356 -1.103 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001507498076 894057215 /nfs/dbraw/zinc/05/72/15/894057215.db2.gz XLHMLDSOBIJZBU-VIFPVBQESA-N 1 0 268.321 -1.191 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001507485568 894057298 /nfs/dbraw/zinc/05/72/98/894057298.db2.gz AGIVLQPKUBEYDM-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001507496184 894057989 /nfs/dbraw/zinc/05/79/89/894057989.db2.gz QSSXLHUJLDCYQX-LBPRGKRZSA-N 1 0 296.371 -2.150 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001507490384 894057939 /nfs/dbraw/zinc/05/79/39/894057939.db2.gz SZGXPGPTTOOIKQ-NSHDSACASA-N 1 0 284.360 -1.003 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1ncn(C)c1=O ZINC001507495533 894058319 /nfs/dbraw/zinc/05/83/19/894058319.db2.gz ORLCCSHBEZLYJY-NSHDSACASA-N 1 0 297.359 -1.433 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001507485567 894059405 /nfs/dbraw/zinc/05/94/05/894059405.db2.gz AGIVLQPKUBEYDM-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001507501695 894060598 /nfs/dbraw/zinc/06/05/98/894060598.db2.gz BLFIHQJGZMWQDA-IUCAKERBSA-N 1 0 286.332 -2.429 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001507500191 894061564 /nfs/dbraw/zinc/06/15/64/894061564.db2.gz WZSXPEIYWYUCFQ-WDEREUQCSA-N 1 0 267.329 -1.493 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001507499204 894062249 /nfs/dbraw/zinc/06/22/49/894062249.db2.gz HENDQKKSHMZWPP-VHSXEESVSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001507500188 894063395 /nfs/dbraw/zinc/06/33/95/894063395.db2.gz WZSXPEIYWYUCFQ-MNOVXSKESA-N 1 0 267.329 -1.493 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001507499202 894064435 /nfs/dbraw/zinc/06/44/35/894064435.db2.gz HENDQKKSHMZWPP-UWVGGRQHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001507499207 894064452 /nfs/dbraw/zinc/06/44/52/894064452.db2.gz HENDQKKSHMZWPP-ZJUUUORDSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001507528015 894065130 /nfs/dbraw/zinc/06/51/30/894065130.db2.gz GKKPJWVKMYLBOO-JTQLQIEISA-N 1 0 296.327 -2.030 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001507561533 894065827 /nfs/dbraw/zinc/06/58/27/894065827.db2.gz GXVNMWLRUKJKFM-VHSXEESVSA-N 1 0 291.373 -1.727 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001507568224 894065669 /nfs/dbraw/zinc/06/56/69/894065669.db2.gz OXARVCZXEATEEI-NSHDSACASA-N 1 0 290.323 -1.164 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001507577244 894066161 /nfs/dbraw/zinc/06/61/61/894066161.db2.gz QEFAKJLDUSFOID-UWVGGRQHSA-N 1 0 281.312 -1.919 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001507577247 894066686 /nfs/dbraw/zinc/06/66/86/894066686.db2.gz QEFAKJLDUSFOID-ZJUUUORDSA-N 1 0 281.312 -1.919 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001507578048 894067519 /nfs/dbraw/zinc/06/75/19/894067519.db2.gz UONHLINZBRNTQG-GFCCVEGCSA-N 1 0 279.344 -1.210 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001507577245 894068244 /nfs/dbraw/zinc/06/82/44/894068244.db2.gz QEFAKJLDUSFOID-VHSXEESVSA-N 1 0 281.312 -1.919 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001507577238 894068333 /nfs/dbraw/zinc/06/83/33/894068333.db2.gz QEFAKJLDUSFOID-NXEZZACHSA-N 1 0 281.312 -1.919 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001507581847 894068801 /nfs/dbraw/zinc/06/88/01/894068801.db2.gz ADHXVZXRGRJBHG-LBPRGKRZSA-N 1 0 269.345 -1.103 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001507588511 894069897 /nfs/dbraw/zinc/06/98/97/894069897.db2.gz UCFRPBMVXWHORM-GFCCVEGCSA-N 1 0 269.345 -1.151 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(=O)NCC ZINC001507615339 894071221 /nfs/dbraw/zinc/07/12/21/894071221.db2.gz DEGNOXIFDDNBBE-NSHDSACASA-N 1 0 269.345 -1.103 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001507693530 894072321 /nfs/dbraw/zinc/07/23/21/894072321.db2.gz QQVQOIKLHQFDNF-UWVGGRQHSA-N 1 0 270.333 -1.395 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001507683327 894072471 /nfs/dbraw/zinc/07/24/71/894072471.db2.gz CMCLZJDZOROEKM-WDEREUQCSA-N 1 0 284.360 -1.053 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001507683441 894072523 /nfs/dbraw/zinc/07/25/23/894072523.db2.gz FTEHGAWBQGQAFP-SNVBAGLBSA-N 1 0 278.312 -1.232 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001507683440 894072762 /nfs/dbraw/zinc/07/27/62/894072762.db2.gz FTEHGAWBQGQAFP-JTQLQIEISA-N 1 0 278.312 -1.232 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001507683326 894073093 /nfs/dbraw/zinc/07/30/93/894073093.db2.gz CMCLZJDZOROEKM-QWRGUYRKSA-N 1 0 284.360 -1.053 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001507693532 894074754 /nfs/dbraw/zinc/07/47/54/894074754.db2.gz QQVQOIKLHQFDNF-ZJUUUORDSA-N 1 0 270.333 -1.395 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001507726362 894078836 /nfs/dbraw/zinc/07/88/36/894078836.db2.gz FJNNSOLIGLPHAQ-JTQLQIEISA-N 1 0 293.389 -1.527 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](NC(=O)C(N)=O)C(C)(C)C ZINC001508016277 894079195 /nfs/dbraw/zinc/07/91/95/894079195.db2.gz POHMXLCEDJFKCC-VIFPVBQESA-N 1 0 284.360 -1.106 20 30 CAEDRO COCC(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001508085156 894083589 /nfs/dbraw/zinc/08/35/89/894083589.db2.gz KQTHPVMMKMCWFR-UHFFFAOYSA-N 1 0 268.317 -1.148 20 30 CAEDRO CN(C(=O)c1cn[nH]n1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001508120376 894083727 /nfs/dbraw/zinc/08/37/27/894083727.db2.gz JDNGHZZNVRJGQT-UHFFFAOYSA-N 1 0 291.315 -1.363 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001508175335 894086667 /nfs/dbraw/zinc/08/66/67/894086667.db2.gz QODJQLLDUXVEQU-JTQLQIEISA-N 1 0 270.333 -1.259 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001511091331 894146674 /nfs/dbraw/zinc/14/66/74/894146674.db2.gz NLALYOMDSMBXNC-MNOVXSKESA-N 1 0 294.355 -1.165 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001512906214 894171819 /nfs/dbraw/zinc/17/18/19/894171819.db2.gz XBPLGYZLVJZWKR-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001513048878 894174362 /nfs/dbraw/zinc/17/43/62/894174362.db2.gz BZIAPROXXOKLLR-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001513666183 894179508 /nfs/dbraw/zinc/17/95/08/894179508.db2.gz NBRBBXWHLCTMKN-AXFHLTTASA-N 1 0 282.344 -1.214 20 30 CAEDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(=O)NCC#N ZINC001520169471 894194082 /nfs/dbraw/zinc/19/40/82/894194082.db2.gz PZWKFGSPXZEAPQ-UWVGGRQHSA-N 1 0 265.317 -1.869 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001520670864 894194831 /nfs/dbraw/zinc/19/48/31/894194831.db2.gz FPRRTGHWBCMLIR-JTQLQIEISA-N 1 0 267.329 -1.186 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521308363 894200829 /nfs/dbraw/zinc/20/08/29/894200829.db2.gz LPKSFIWYJPVEOH-WDEREUQCSA-N 1 0 266.345 -1.207 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521308312 894201331 /nfs/dbraw/zinc/20/13/31/894201331.db2.gz LPKSFIWYJPVEOH-GHMZBOCLSA-N 1 0 266.345 -1.207 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001521308314 894201373 /nfs/dbraw/zinc/20/13/73/894201373.db2.gz LPKSFIWYJPVEOH-MNOVXSKESA-N 1 0 266.345 -1.207 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC001521387619 894205072 /nfs/dbraw/zinc/20/50/72/894205072.db2.gz VJRZMNXSCVHXGQ-UHFFFAOYSA-N 1 0 260.297 -1.112 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCN(O)C1=O ZINC001521615338 894209574 /nfs/dbraw/zinc/20/95/74/894209574.db2.gz DFAPFDYUCSPWKO-BBBLOLIVSA-N 1 0 268.317 -1.519 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCN(O)C1=O ZINC001521615342 894209624 /nfs/dbraw/zinc/20/96/24/894209624.db2.gz DFAPFDYUCSPWKO-OPRDCNLKSA-N 1 0 268.317 -1.519 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC001521894687 894213887 /nfs/dbraw/zinc/21/38/87/894213887.db2.gz ZTZVQPKAMYAVAT-UWVGGRQHSA-N 1 0 254.286 -1.002 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCCN(O)C1=O ZINC001528457749 894327775 /nfs/dbraw/zinc/32/77/75/894327775.db2.gz AYCNXHPZUMSCFR-VWYCJHECSA-N 1 0 282.344 -1.129 20 30 CAEDRO C[NH+]1CCN(CCCNC(=O)Cn2cnc(C#N)n2)CC1 ZINC001540507405 894457102 /nfs/dbraw/zinc/45/71/02/894457102.db2.gz LIZKZHFYMHNUBY-UHFFFAOYSA-N 1 0 291.359 -1.097 20 30 CAEDRO C#CCNC(=O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548636156 894490366 /nfs/dbraw/zinc/49/03/66/894490366.db2.gz SLQOTYITBSDSFD-GHMZBOCLSA-N 1 0 264.329 -1.760 20 30 CAEDRO C#CC[C@H](O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548707824 894497882 /nfs/dbraw/zinc/49/78/82/894497882.db2.gz MQTZWSWTOSJSFI-WOPDTQHZSA-N 1 0 251.330 -1.125 20 30 CAEDRO C#CC[C@H](O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548707821 894499590 /nfs/dbraw/zinc/49/95/90/894499590.db2.gz MQTZWSWTOSJSFI-SDDRHHMPSA-N 1 0 251.330 -1.125 20 30 CAEDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCC(=O)NCC#N)C1 ZINC001556512495 894579727 /nfs/dbraw/zinc/57/97/27/894579727.db2.gz HJCDZYGRBNYDEE-LBPRGKRZSA-N 1 0 268.317 -1.411 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC001556947578 894590806 /nfs/dbraw/zinc/59/08/06/894590806.db2.gz URSHFESOCCKGLZ-SNVBAGLBSA-N 1 0 253.306 -1.127 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001191770188 781918783 /nfs/dbraw/zinc/91/87/83/781918783.db2.gz AFIZVSZBXCCHSS-IJLUTSLNSA-N 1 0 288.344 -1.642 20 30 CAEDRO Cn1c(NC[C@@]2(O)CC[N@H+](C)C2)c(C#N)c(=O)n(C)c1=O ZINC000358309372 529810497 /nfs/dbraw/zinc/81/04/97/529810497.db2.gz PQTHHARKLYAYRH-ZDUSSCGKSA-N 1 0 293.327 -1.566 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC)C1 ZINC001191863836 781923942 /nfs/dbraw/zinc/92/39/42/781923942.db2.gz IXVDQCHGVBDDCT-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CCNC(=O)CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000573718942 334960826 /nfs/dbraw/zinc/96/08/26/334960826.db2.gz LMXOKQXSHJYKPK-GFCCVEGCSA-N 1 0 266.301 -1.037 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192036915 781932595 /nfs/dbraw/zinc/93/25/95/781932595.db2.gz CLFBYGUXXLPEJW-VXGBXAGGSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192102930 781936031 /nfs/dbraw/zinc/93/60/31/781936031.db2.gz FWOWHWMPPYAAGH-GHMZBOCLSA-N 1 0 277.328 -1.078 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC)C1 ZINC001192361781 781939610 /nfs/dbraw/zinc/93/96/10/781939610.db2.gz AHJIKQHHNQABQD-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC)C[C@H]1O ZINC001192382130 781941079 /nfs/dbraw/zinc/94/10/79/781941079.db2.gz BAECJANVDGYIAL-VXGBXAGGSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192382490 781941247 /nfs/dbraw/zinc/94/12/47/781941247.db2.gz MQDSNZPRGRZYMX-GHMZBOCLSA-N 1 0 283.328 -2.330 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001192382474 781942365 /nfs/dbraw/zinc/94/23/65/781942365.db2.gz LXTSPYQBSYSIRN-GHMZBOCLSA-N 1 0 283.328 -2.066 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001192396262 781943404 /nfs/dbraw/zinc/94/34/04/781943404.db2.gz LAGMSMPFERUGEP-NXEZZACHSA-N 1 0 253.302 -1.693 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001192395838 781944363 /nfs/dbraw/zinc/94/43/63/781944363.db2.gz HSBYHSBWFACFQV-GMTAPVOTSA-N 1 0 283.328 -2.332 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192438134 781944839 /nfs/dbraw/zinc/94/48/39/781944839.db2.gz QDEWHJJIWJBCCV-NXEZZACHSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463192 781945860 /nfs/dbraw/zinc/94/58/60/781945860.db2.gz OWSVSDSDDAZQPA-NXEZZACHSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCCCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192503789 781946090 /nfs/dbraw/zinc/94/60/90/781946090.db2.gz LSDIFISIWPTUAU-CHWSQXEVSA-N 1 0 284.356 -1.040 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192539451 781948614 /nfs/dbraw/zinc/94/86/14/781948614.db2.gz ICRLTDRBSMWFEK-NQBHXWOUSA-N 1 0 272.345 -1.143 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192539456 781948865 /nfs/dbraw/zinc/94/88/65/781948865.db2.gz ICRLTDRBSMWFEK-WZRBSPASSA-N 1 0 272.345 -1.143 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192547103 781949381 /nfs/dbraw/zinc/94/93/81/781949381.db2.gz LZNOYNXMIYBPKP-VXGBXAGGSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001192546596 781949514 /nfs/dbraw/zinc/94/95/14/781949514.db2.gz JAAKEDIRNNLZMG-FOGDFJRCSA-N 1 0 258.318 -1.533 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192591527 781951601 /nfs/dbraw/zinc/95/16/01/781951601.db2.gz UAXVTPCXSQUZNN-GMTAPVOTSA-N 1 0 299.327 -1.541 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192591530 781952734 /nfs/dbraw/zinc/95/27/34/781952734.db2.gz UAXVTPCXSQUZNN-OUAUKWLOSA-N 1 0 299.327 -1.541 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001192878934 781956854 /nfs/dbraw/zinc/95/68/54/781956854.db2.gz OLAPPPNXCLZBRW-GHMZBOCLSA-N 1 0 256.302 -1.820 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192844397 781959814 /nfs/dbraw/zinc/95/98/14/781959814.db2.gz RIFJBVNCNZILBN-QJPTWQEYSA-N 1 0 270.329 -1.432 20 30 CAEDRO N#CCS(=O)(=O)NCCC[NH+](CCO)CCO ZINC001192987851 781961000 /nfs/dbraw/zinc/96/10/00/781961000.db2.gz KWVVGRZJRHLEDD-UHFFFAOYSA-N 1 0 265.335 -1.894 20 30 CAEDRO C[NH+](C)[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@H]1O ZINC000579857739 372853310 /nfs/dbraw/zinc/85/33/10/372853310.db2.gz GUSLLFHKRQXBPQ-IUCAKERBSA-N 1 0 264.289 -1.717 20 30 CAEDRO COCC#CCN1CCC(NS(N)(=O)=O)CC1 ZINC000626035683 372915025 /nfs/dbraw/zinc/91/50/25/372915025.db2.gz XVFOGDBKSGQFEA-UHFFFAOYSA-N 1 0 261.347 -1.106 20 30 CAEDRO Cn1c(=O)c(C#N)c(N2C[C@H]3C[NH2+]C[C@H]3C2)n(C)c1=O ZINC000603833198 372932958 /nfs/dbraw/zinc/93/29/58/372932958.db2.gz ABKZYSZNFUQZJU-DTORHVGOSA-N 1 0 275.312 -1.389 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000569712380 372979708 /nfs/dbraw/zinc/97/97/08/372979708.db2.gz APLWSTGUYQJSLH-IUCAKERBSA-N 1 0 294.311 -1.089 20 30 CAEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CO)nc1 ZINC000570093983 372987788 /nfs/dbraw/zinc/98/77/88/372987788.db2.gz VWDWQKRDQCJCCE-SNVBAGLBSA-N 1 0 285.325 -1.330 20 30 CAEDRO CC[N@H+](C)C[C@@H](O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000566482075 373034465 /nfs/dbraw/zinc/03/44/65/373034465.db2.gz RSGQMFSHGMSEAS-SNVBAGLBSA-N 1 0 266.301 -1.269 20 30 CAEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000601415548 373036985 /nfs/dbraw/zinc/03/69/85/373036985.db2.gz HZXDBXOWENBHHZ-DCAQKATOSA-N 1 0 290.389 -1.071 20 30 CAEDRO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000601415549 373038181 /nfs/dbraw/zinc/03/81/81/373038181.db2.gz HZXDBXOWENBHHZ-VWYCJHECSA-N 1 0 290.389 -1.071 20 30 CAEDRO Cn1c(N[C@@H](CO)C[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000589101806 373014419 /nfs/dbraw/zinc/01/44/19/373014419.db2.gz LTKLGHKBSLYZDW-MRVPVSSYSA-N 1 0 281.316 -1.710 20 30 CAEDRO C[NH+](C)CCN1CCN(CC(=O)NCC#N)CC1=O ZINC000593050715 373086760 /nfs/dbraw/zinc/08/67/60/373086760.db2.gz IBUYAUUQCXFWBR-UHFFFAOYSA-N 1 0 267.333 -1.668 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000592983025 373087623 /nfs/dbraw/zinc/08/76/23/373087623.db2.gz RFYKLEGSKLDBNX-JTQLQIEISA-N 1 0 275.378 -1.349 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595669257 373118544 /nfs/dbraw/zinc/11/85/44/373118544.db2.gz YXJLLLHJLSVTTC-WCBMZHEXSA-N 1 0 285.300 -1.082 20 30 CAEDRO C=C[C@H](O)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000597613859 373150003 /nfs/dbraw/zinc/15/00/03/373150003.db2.gz WIEMVCDFURPOAL-LBPRGKRZSA-N 1 0 299.371 -1.218 20 30 CAEDRO C=C[C@@H](O)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000597613858 373150494 /nfs/dbraw/zinc/15/04/94/373150494.db2.gz WIEMVCDFURPOAL-GFCCVEGCSA-N 1 0 299.371 -1.218 20 30 CAEDRO C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)n1cnc(C#N)n1 ZINC000597653271 373152088 /nfs/dbraw/zinc/15/20/88/373152088.db2.gz IMNTXXVKQWKFKG-RKDXNWHRSA-N 1 0 266.305 -1.251 20 30 CAEDRO C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)n1cnc(C#N)n1 ZINC000597653269 373152189 /nfs/dbraw/zinc/15/21/89/373152189.db2.gz IMNTXXVKQWKFKG-DTWKUNHWSA-N 1 0 266.305 -1.251 20 30 CAEDRO N#CCN1CCC(CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000599062008 373166157 /nfs/dbraw/zinc/16/61/57/373166157.db2.gz OBXQUKNUEANKAC-UHFFFAOYSA-N 1 0 262.321 -1.234 20 30 CAEDRO Cn1c(NCC[N@@H+]2CC[C@@H](O)C2)c(C#N)c(=O)n(C)c1=O ZINC000599176794 373169693 /nfs/dbraw/zinc/16/96/93/373169693.db2.gz YPNHMEHLOMNVAM-SECBINFHSA-N 1 0 293.327 -1.566 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000595901680 373123401 /nfs/dbraw/zinc/12/34/01/373123401.db2.gz HJFUBCYOXUQYGU-VIFPVBQESA-N 1 0 274.321 -2.388 20 30 CAEDRO Cn1c(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000599084164 373170078 /nfs/dbraw/zinc/17/00/78/373170078.db2.gz PDEQTYHYOWMUNA-URLYPYJESA-N 1 0 289.339 -1.048 20 30 CAEDRO C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[NH2+]1 ZINC000596016665 373129542 /nfs/dbraw/zinc/12/95/42/373129542.db2.gz SWQRHVOOSJIJTB-MRVPVSSYSA-N 1 0 263.301 -1.246 20 30 CAEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000595981510 373130056 /nfs/dbraw/zinc/13/00/56/373130056.db2.gz DMZZNLFDKGJUEG-GWCFXTLKSA-N 1 0 280.328 -1.065 20 30 CAEDRO Cn1c(N2CCC[C@H]([NH3+])C2)c(C#N)c(=O)n(C)c1=O ZINC000596015984 373130329 /nfs/dbraw/zinc/13/03/29/373130329.db2.gz MAJBKIQQRVCMCF-QMMMGPOBSA-N 1 0 263.301 -1.117 20 30 CAEDRO Cn1c(N2CCC[C@@H]([NH3+])C2)c(C#N)c(=O)n(C)c1=O ZINC000596015983 373130406 /nfs/dbraw/zinc/13/04/06/373130406.db2.gz MAJBKIQQRVCMCF-MRVPVSSYSA-N 1 0 263.301 -1.117 20 30 CAEDRO CN(CC1C[NH+](C)C1)C(=O)NCC(=O)NCC#N ZINC000596597971 373134202 /nfs/dbraw/zinc/13/42/02/373134202.db2.gz CKFDNIJBRLXUCV-UHFFFAOYSA-N 1 0 253.306 -1.171 20 30 CAEDRO C[NH+](C)[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1O ZINC000596599595 373134228 /nfs/dbraw/zinc/13/42/28/373134228.db2.gz WDGSYBRNNHRATR-UWVGGRQHSA-N 1 0 293.331 -1.534 20 30 CAEDRO C#CCNC(=O)CN1CCCN(S(C)(=O)=O)CC1 ZINC000043619208 373219688 /nfs/dbraw/zinc/21/96/88/373219688.db2.gz QVJOUUALQYQCFB-UHFFFAOYSA-N 1 0 273.358 -1.297 20 30 CAEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601585087 373188954 /nfs/dbraw/zinc/18/89/54/373188954.db2.gz WFMIYGCAMOZZSF-LLVKDONJSA-N 1 0 281.360 -1.150 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000601580154 373189627 /nfs/dbraw/zinc/18/96/27/373189627.db2.gz ARZHZMSEOLHWHM-LBPRGKRZSA-N 1 0 293.371 -1.149 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1[NH3+] ZINC000601581346 373189662 /nfs/dbraw/zinc/18/96/62/373189662.db2.gz GTPXTRKCJJEZIZ-VXGBXAGGSA-N 1 0 293.371 -1.150 20 30 CAEDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601582820 373190394 /nfs/dbraw/zinc/19/03/94/373190394.db2.gz OXPYIRROFBIDGR-UHFFFAOYSA-N 1 0 267.333 -1.539 20 30 CAEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601580972 373190461 /nfs/dbraw/zinc/19/04/61/373190461.db2.gz CGDQANCCZYPKIQ-NEPJUHHUSA-N 1 0 293.371 -1.008 20 30 CAEDRO N#CCCN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000601851421 373192551 /nfs/dbraw/zinc/19/25/51/373192551.db2.gz MVHKZBICZVXYEI-LBPRGKRZSA-N 1 0 293.371 -1.088 20 30 CAEDRO CC[N@H+](C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336909379 373249778 /nfs/dbraw/zinc/24/97/78/373249778.db2.gz GXTBUSDNXOZPNP-JTQLQIEISA-N 1 0 276.362 -1.003 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC2([NH3+])CCC2)C1=O ZINC000342615321 373477153 /nfs/dbraw/zinc/47/71/53/373477153.db2.gz FXPSUQYBIWDFOO-UHFFFAOYSA-N 1 0 294.311 -1.039 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161517253 373494977 /nfs/dbraw/zinc/49/49/77/373494977.db2.gz PFRWPHQGHRSLGA-SNVBAGLBSA-N 1 0 278.378 -1.021 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000292758844 373503680 /nfs/dbraw/zinc/50/36/80/373503680.db2.gz ISSGQPCEUOFTNZ-NXEZZACHSA-N 1 0 253.302 -1.300 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CC([NH3+])C2)C1=O ZINC000294864284 373504539 /nfs/dbraw/zinc/50/45/39/373504539.db2.gz OPHPTJQFBOJUCT-UHFFFAOYSA-N 1 0 294.311 -1.089 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)Cn1ncn(C)c1=O ZINC000294004687 373504804 /nfs/dbraw/zinc/50/48/04/373504804.db2.gz PCRLTAUQDKVSSW-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO COCCC[N@H+](C)CCNC(=O)NCC(=O)NCC#N ZINC000345076567 373525250 /nfs/dbraw/zinc/52/52/50/373525250.db2.gz XGKGFIBOICODNK-UHFFFAOYSA-N 1 0 285.348 -1.106 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348212331 373545775 /nfs/dbraw/zinc/54/57/75/373545775.db2.gz SEHGPQCMCSHHPW-PELKAZGASA-N 1 0 284.316 -1.691 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CC[NH3+])C1=O ZINC000349954678 373558014 /nfs/dbraw/zinc/55/80/14/373558014.db2.gz XZRBOHWFKFCHRN-MRVPVSSYSA-N 1 0 282.300 -1.183 20 30 CAEDRO C=CCNC(=O)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000519601315 373565033 /nfs/dbraw/zinc/56/50/33/373565033.db2.gz OXOVXRAHMXAJJN-SNVBAGLBSA-N 1 0 282.344 -1.337 20 30 CAEDRO C=CCNC(=O)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000520576699 373568017 /nfs/dbraw/zinc/56/80/17/373568017.db2.gz QJCDTYGMKCNYGA-SECBINFHSA-N 1 0 268.317 -1.727 20 30 CAEDRO C[C@@H]1CN(CCNC(=O)Cn2cnc(C#N)n2)CCO1 ZINC000610882879 373655632 /nfs/dbraw/zinc/65/56/32/373655632.db2.gz RVSWZYXUEBWTAH-SNVBAGLBSA-N 1 0 278.316 -1.013 20 30 CAEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@@H](C)C1 ZINC000358275820 373614688 /nfs/dbraw/zinc/61/46/88/373614688.db2.gz NUYFSUUAPQOPDA-QWRGUYRKSA-N 1 0 297.359 -1.277 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CCO[C@@H](C(=O)NC)C1 ZINC000248436811 373675390 /nfs/dbraw/zinc/67/53/90/373675390.db2.gz GQHKLDNKBIBXQD-VHSXEESVSA-N 1 0 253.302 -1.429 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1CCO[C@@H](C(=O)NC)C1 ZINC000248436809 373675446 /nfs/dbraw/zinc/67/54/46/373675446.db2.gz GQHKLDNKBIBXQD-NXEZZACHSA-N 1 0 253.302 -1.429 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@@H]2C)C1=O ZINC000261940163 373682911 /nfs/dbraw/zinc/68/29/11/373682911.db2.gz GNLIMCDMADEBFF-VIFPVBQESA-N 1 0 294.311 -1.217 20 30 CAEDRO N#CC[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001193010853 781961917 /nfs/dbraw/zinc/96/19/17/781961917.db2.gz AXMSUJVOCRGHKP-MRVPVSSYSA-N 1 0 252.274 -1.065 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000159304112 373771739 /nfs/dbraw/zinc/77/17/39/373771739.db2.gz DNOCWUAMINJSMC-LLVKDONJSA-N 1 0 284.360 -1.594 20 30 CAEDRO C=CCOCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514951499 373722902 /nfs/dbraw/zinc/72/29/02/373722902.db2.gz SCUNXQAPOUFFHR-VHSXEESVSA-N 1 0 253.302 -1.041 20 30 CAEDRO C=CCOCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514951487 373723232 /nfs/dbraw/zinc/72/32/32/373723232.db2.gz SCUNXQAPOUFFHR-NXEZZACHSA-N 1 0 253.302 -1.041 20 30 CAEDRO C=C[C@H](O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628584991 373735398 /nfs/dbraw/zinc/73/53/98/373735398.db2.gz CLRWTEZAVUKNME-UWVGGRQHSA-N 1 0 255.318 -1.011 20 30 CAEDRO CO[C@@H]1CN(CC#CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000451754876 373778985 /nfs/dbraw/zinc/77/89/85/373778985.db2.gz CTHICLRNZXPJSX-AAVRWANBSA-N 1 0 284.356 -1.627 20 30 CAEDRO C=CCNC(=O)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187459 373845319 /nfs/dbraw/zinc/84/53/19/373845319.db2.gz BYYHHWBOEVDRPJ-VIFPVBQESA-N 1 0 256.306 -1.424 20 30 CAEDRO C=CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566510940 373948980 /nfs/dbraw/zinc/94/89/80/373948980.db2.gz FCWHSJBUSHDWTC-GHMZBOCLSA-N 1 0 294.355 -1.161 20 30 CAEDRO COCC[N@H+](C)C[C@@H](O)CN1CC(O)(CC#N)C1 ZINC000567179436 373952716 /nfs/dbraw/zinc/95/27/16/373952716.db2.gz FNBQBQKDYZBCMI-LLVKDONJSA-N 1 0 257.334 -1.114 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC(C)(CO)CO ZINC000567876823 373961719 /nfs/dbraw/zinc/96/17/19/373961719.db2.gz ZXTSKIIBJCKTLY-LLVKDONJSA-N 1 0 259.350 -1.227 20 30 CAEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578359357 373990554 /nfs/dbraw/zinc/99/05/54/373990554.db2.gz WGVYMBSZDPHHNH-AEJSXWLSSA-N 1 0 268.317 -1.021 20 30 CAEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000578359359 373991492 /nfs/dbraw/zinc/99/14/92/373991492.db2.gz WGVYMBSZDPHHNH-IVZWLZJFSA-N 1 0 268.317 -1.021 20 30 CAEDRO Cn1c(=O)c(C#N)c(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n(C)c1=O ZINC000600887174 374060645 /nfs/dbraw/zinc/06/06/45/374060645.db2.gz QVLLKWKBAHYATG-DTORHVGOSA-N 1 0 275.312 -1.104 20 30 CAEDRO Cn1c(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(C#N)c(=O)n(C)c1=O ZINC000603833200 374064394 /nfs/dbraw/zinc/06/43/94/374064394.db2.gz ABKZYSZNFUQZJU-RKDXNWHRSA-N 1 0 275.312 -1.389 20 30 CAEDRO C=CCNC(=O)CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631929983 374153629 /nfs/dbraw/zinc/15/36/29/374153629.db2.gz TTYZGUPFUOPLEA-SECBINFHSA-N 1 0 277.346 -1.804 20 30 CAEDRO C=CCNC(=O)CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631929984 374154123 /nfs/dbraw/zinc/15/41/23/374154123.db2.gz TTYZGUPFUOPLEA-VIFPVBQESA-N 1 0 277.346 -1.804 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152097124 781966821 /nfs/dbraw/zinc/96/68/21/781966821.db2.gz JKHCMOAPNMZVKT-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C=CCNC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574705357 335041639 /nfs/dbraw/zinc/04/16/39/335041639.db2.gz YCGKQTHDDSEAHZ-GARJFASQSA-N 1 0 266.345 -1.079 20 30 CAEDRO C=CCNC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574705355 335041830 /nfs/dbraw/zinc/04/18/30/335041830.db2.gz YCGKQTHDDSEAHZ-AXFHLTTASA-N 1 0 266.345 -1.079 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193456343 781970009 /nfs/dbraw/zinc/97/00/09/781970009.db2.gz PWIOORJHAWFKRC-GHMZBOCLSA-N 1 0 285.344 -1.514 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544116 781971233 /nfs/dbraw/zinc/97/12/33/781971233.db2.gz HBLDSGLOVRXCGT-NXEZZACHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193528285 781971522 /nfs/dbraw/zinc/97/15/22/781971522.db2.gz QYNRIQTWMZQOSJ-NXEZZACHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947715 781982016 /nfs/dbraw/zinc/98/20/16/781982016.db2.gz VKUGAHDBRZNZMG-GHMZBOCLSA-N 1 0 299.371 -1.138 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329598 781988677 /nfs/dbraw/zinc/98/86/77/781988677.db2.gz RWXXXMVUYXOSSW-RKDXNWHRSA-N 1 0 289.282 -1.448 20 30 CAEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336951108 262408713 /nfs/dbraw/zinc/40/87/13/262408713.db2.gz UJDNJXPYDRLNPL-MNOVXSKESA-N 1 0 290.389 -1.021 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110465845 782000456 /nfs/dbraw/zinc/00/04/56/782000456.db2.gz WKMCZBVPCRHYTC-UTUOFQBUSA-N 1 0 279.340 -1.160 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001195294311 782004261 /nfs/dbraw/zinc/00/42/61/782004261.db2.gz LUHQEXKWLRXYRC-IJLUTSLNSA-N 1 0 299.371 -1.138 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001195294312 782004479 /nfs/dbraw/zinc/00/44/79/782004479.db2.gz LUHQEXKWLRXYRC-QJPTWQEYSA-N 1 0 299.371 -1.138 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCCOCC ZINC001152202788 782004839 /nfs/dbraw/zinc/00/48/39/782004839.db2.gz QGRMGSRIRVEVPR-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001195295107 782004986 /nfs/dbraw/zinc/00/49/86/782004986.db2.gz SOVUQQNKAPWTLC-HBNTYKKESA-N 1 0 267.329 -1.318 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001195588501 782009314 /nfs/dbraw/zinc/00/93/14/782009314.db2.gz JILZAGVEMNONAI-UHFFFAOYSA-N 1 0 267.329 -1.348 20 30 CAEDRO C=CCN1CC[C@@H](N(CC[NH3+])C[C@H](O)CO)C1=O ZINC000662289372 409324110 /nfs/dbraw/zinc/32/41/10/409324110.db2.gz ZVBABXZRYJNGFO-WDEREUQCSA-N 1 0 257.334 -1.613 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@H](C)[NH3+])C1=O ZINC000648145120 409324567 /nfs/dbraw/zinc/32/45/67/409324567.db2.gz FHPYUGNEOTXIRI-JGVFFNPUSA-N 1 0 282.300 -1.185 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H](C)[NH3+])C1=O ZINC000648145119 409324709 /nfs/dbraw/zinc/32/47/09/409324709.db2.gz FHPYUGNEOTXIRI-HTQZYQBOSA-N 1 0 282.300 -1.185 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1=O ZINC000648145121 409325085 /nfs/dbraw/zinc/32/50/85/409325085.db2.gz FHPYUGNEOTXIRI-SFYZADRCSA-N 1 0 282.300 -1.185 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000491623507 409371647 /nfs/dbraw/zinc/37/16/47/409371647.db2.gz PTKQZGNPEIQUKF-QWRGUYRKSA-N 1 0 267.329 -1.054 20 30 CAEDRO N#C[C@H]1CN(S(=O)(=O)N2CC[N@@H+]3CC[C@H]2C3)CCO1 ZINC000601425188 409381876 /nfs/dbraw/zinc/38/18/76/409381876.db2.gz MSGQSHNUJURFBO-QWRGUYRKSA-N 1 0 286.357 -1.155 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653150702 409335533 /nfs/dbraw/zinc/33/55/33/409335533.db2.gz MFEWQSMVLJZEPU-CABZTGNLSA-N 1 0 253.302 -1.359 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C[NH2+]C)C1=O ZINC000662963124 409338377 /nfs/dbraw/zinc/33/83/77/409338377.db2.gz QVMXLJCVNINUOL-QMMMGPOBSA-N 1 0 282.300 -1.313 20 30 CAEDRO N#CCC1(O)CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000376131725 409344575 /nfs/dbraw/zinc/34/45/75/409344575.db2.gz MFWZWMLEVZQQTI-NSHDSACASA-N 1 0 264.329 -1.137 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCC[NH3+])C1=O ZINC000644068367 409349386 /nfs/dbraw/zinc/34/93/86/409349386.db2.gz SHVADNCIDDMTRG-UHFFFAOYSA-N 1 0 282.300 -1.230 20 30 CAEDRO NC(=[NH2+])NCCS(=O)(=O)N1CCSCC1 ZINC000303987915 409459771 /nfs/dbraw/zinc/45/97/71/409459771.db2.gz JPWBYDRMRBXCSU-UHFFFAOYSA-N 1 0 252.365 -1.362 20 30 CAEDRO COC(=O)c1cn(CCNC2=[NH+]CCN2C)nn1 ZINC000262644119 409412953 /nfs/dbraw/zinc/41/29/53/409412953.db2.gz IPEHBLSZEULRRX-UHFFFAOYSA-N 1 0 252.278 -1.044 20 30 CAEDRO CCNC(=O)NC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000330449063 409422396 /nfs/dbraw/zinc/42/23/96/409422396.db2.gz WVZSVUQJVPTQBN-UHFFFAOYSA-N 1 0 299.375 -1.258 20 30 CAEDRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000330499026 409423167 /nfs/dbraw/zinc/42/31/67/409423167.db2.gz FWJXMYKLQFOFFC-SECBINFHSA-N 1 0 258.322 -1.043 20 30 CAEDRO CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000330424604 409424002 /nfs/dbraw/zinc/42/40/02/409424002.db2.gz CPFKJUJZBUPVPQ-SNVBAGLBSA-N 1 0 299.375 -1.259 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000293965122 409425819 /nfs/dbraw/zinc/42/58/19/409425819.db2.gz LMNHYTPNHYQXOI-UHFFFAOYSA-N 1 0 294.311 -1.522 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CN(C)S(C)(=O)=O ZINC000293861710 409426812 /nfs/dbraw/zinc/42/68/12/409426812.db2.gz BHLXWSSDURWQJL-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)NCC(=O)N(C)C ZINC000293443438 409427113 /nfs/dbraw/zinc/42/71/13/409427113.db2.gz RUTOKOYIAWDXPR-UHFFFAOYSA-N 1 0 282.344 -1.738 20 30 CAEDRO C#CCNC(=O)CC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000293181000 409427151 /nfs/dbraw/zinc/42/71/51/409427151.db2.gz SOKRIMVCBDQBTG-JTQLQIEISA-N 1 0 255.318 -1.052 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000293975541 409427185 /nfs/dbraw/zinc/42/71/85/409427185.db2.gz MNNNRTKQTWEFQG-UHFFFAOYSA-N 1 0 292.339 -1.382 20 30 CAEDRO CC[N@H+](CCO)CCNS(=O)(=O)N(C)CCC#N ZINC000346010994 409432224 /nfs/dbraw/zinc/43/22/24/409432224.db2.gz NICOUZQSPDGGCB-UHFFFAOYSA-N 1 0 278.378 -1.020 20 30 CAEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000348211450 409438415 /nfs/dbraw/zinc/43/84/15/409438415.db2.gz PUJUIJLBERKIQI-SKDRFNHKSA-N 1 0 253.302 -1.305 20 30 CAEDRO CN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1COC[C@H]1O ZINC000329456578 409446158 /nfs/dbraw/zinc/44/61/58/409446158.db2.gz QHQHNEVAHGMLNP-QJPTWQEYSA-N 1 0 286.376 -1.162 20 30 CAEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000659732221 409475232 /nfs/dbraw/zinc/47/52/32/409475232.db2.gz BVJKPGQGVHHHAP-WDEREUQCSA-N 1 0 294.355 -1.290 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659734156 409567948 /nfs/dbraw/zinc/56/79/48/409567948.db2.gz BCAJFQNLROSAHQ-LBPRGKRZSA-N 1 0 298.387 -1.203 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659734155 409569092 /nfs/dbraw/zinc/56/90/92/409569092.db2.gz BCAJFQNLROSAHQ-GFCCVEGCSA-N 1 0 298.387 -1.203 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C)CC[NH2+]C2)C1=O ZINC000663010272 409619023 /nfs/dbraw/zinc/61/90/23/409619023.db2.gz IBGMAFDFHPLSIR-CYBMUJFWSA-N 1 0 294.311 -1.169 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C[NH2+]C)C1=O ZINC000662963123 409615801 /nfs/dbraw/zinc/61/58/01/409615801.db2.gz QVMXLJCVNINUOL-MRVPVSSYSA-N 1 0 282.300 -1.313 20 30 CAEDRO C[NH+](C)C[C@@H](CO)NC(=O)CNc1ccc(C#N)cn1 ZINC000597653157 409647905 /nfs/dbraw/zinc/64/79/05/409647905.db2.gz HJMPWRJDTUDSDO-NSHDSACASA-N 1 0 277.328 -0.596 20 30 CAEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CNc2ccc(C#N)cn2)C1 ZINC000358075487 409650907 /nfs/dbraw/zinc/65/09/07/409650907.db2.gz TVNKKWFHZVGEKC-CQSZACIVSA-N 1 0 289.339 -0.452 20 30 CAEDRO C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195718300 782015676 /nfs/dbraw/zinc/01/56/76/782015676.db2.gz SPKVWMOVTLYENJ-GMTAPVOTSA-N 1 0 282.344 -1.205 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001196012214 782022089 /nfs/dbraw/zinc/02/20/89/782022089.db2.gz MNDQYYCGMPVURX-MXWKQRLJSA-N 1 0 256.302 -1.558 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001196011465 782022797 /nfs/dbraw/zinc/02/27/97/782022797.db2.gz ATRANZGPDBRYHG-GMTAPVOTSA-N 1 0 258.318 -1.005 20 30 CAEDRO COCC[N@H+](C)CCNC(=O)NCC(=O)NCC#N ZINC000344766727 225158982 /nfs/dbraw/zinc/15/89/82/225158982.db2.gz FQIKRYUIMORTKR-UHFFFAOYSA-N 1 0 271.321 -1.496 20 30 CAEDRO COCC[N@@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)C1 ZINC000345026887 225237285 /nfs/dbraw/zinc/23/72/85/225237285.db2.gz ZGYWNRCVWNTIQJ-JTQLQIEISA-N 1 0 283.332 -1.354 20 30 CAEDRO Cn1nnc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000330208770 228066854 /nfs/dbraw/zinc/06/68/54/228066854.db2.gz BHLGZLVNECULJF-SECBINFHSA-N 1 0 283.336 -1.114 20 30 CAEDRO C#CCNC(=O)CC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196094000 782025946 /nfs/dbraw/zinc/02/59/46/782025946.db2.gz OLAMUOMAFWIUEM-RKDXNWHRSA-N 1 0 266.301 -2.356 20 30 CAEDRO C=CCN1CC[C@H]([NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001196094878 782027170 /nfs/dbraw/zinc/02/71/70/782027170.db2.gz SNDGVLVKXIIZGE-BBBLOLIVSA-N 1 0 280.328 -1.708 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001196289755 782032120 /nfs/dbraw/zinc/03/21/20/782032120.db2.gz DZAAPAMWGGEKRF-VXGBXAGGSA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)CC1 ZINC000089743998 260200013 /nfs/dbraw/zinc/20/00/13/260200013.db2.gz HCWKWDRZNQDOIX-PHIMTYICSA-N 1 0 275.308 -1.231 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000491120124 261336557 /nfs/dbraw/zinc/33/65/57/261336557.db2.gz LIJOMLVCPUVRSK-JTQLQIEISA-N 1 0 273.358 -1.121 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000491308893 261407708 /nfs/dbraw/zinc/40/77/08/261407708.db2.gz WTBZOTZSDUJWMW-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491789042 262052849 /nfs/dbraw/zinc/05/28/49/262052849.db2.gz UEPUIEUILXPPKG-WAYWQWQTSA-N 1 0 292.383 -1.002 20 30 CAEDRO [NH2+]=C(NCCO)N1CCN(c2ncccn2)CC1 ZINC000264124053 262876005 /nfs/dbraw/zinc/87/60/05/262876005.db2.gz RTMBOICUWNQNBX-UHFFFAOYSA-N 1 0 250.306 -1.094 20 30 CAEDRO CO/N=C/C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000289300800 263108722 /nfs/dbraw/zinc/10/87/22/263108722.db2.gz QVPOQOBKHZJROL-XYOKQWHBSA-N 1 0 256.306 -1.149 20 30 CAEDRO O[C@@H]1CN(CC#CCN2C[C@H](O)[C@@H](O)C2)C[C@H]1O ZINC000342141235 263398459 /nfs/dbraw/zinc/39/84/59/263398459.db2.gz ZVUNBFQAUJIKTK-HUVAQWKNSA-N 1 0 256.302 -2.935 20 30 CAEDRO CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000330424603 263936127 /nfs/dbraw/zinc/93/61/27/263936127.db2.gz CPFKJUJZBUPVPQ-JTQLQIEISA-N 1 0 299.375 -1.259 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762159 264026797 /nfs/dbraw/zinc/02/67/97/264026797.db2.gz PBXAQPYIUIKLJL-LBPRGKRZSA-N 1 0 280.372 -1.170 20 30 CAEDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000330951689 264086212 /nfs/dbraw/zinc/08/62/12/264086212.db2.gz PVSUBRFRHGVBEQ-NEPJUHHUSA-N 1 0 286.376 -1.113 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 ZINC000162198618 264311312 /nfs/dbraw/zinc/31/13/12/264311312.db2.gz GGSXSZDJPDORDD-GFCCVEGCSA-N 1 0 293.371 -1.135 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000286689772 264603637 /nfs/dbraw/zinc/60/36/37/264603637.db2.gz PKKQQXYXDFMODU-UHFFFAOYSA-N 1 0 294.355 -1.289 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)CC ZINC000294055190 265005092 /nfs/dbraw/zinc/00/50/92/265005092.db2.gz UOLOXFSJUHYUNC-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000519155422 265342613 /nfs/dbraw/zinc/34/26/13/265342613.db2.gz DSTZUPMBJAUCLJ-NWDGAFQWSA-N 1 0 258.366 -1.295 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367611428 267104897 /nfs/dbraw/zinc/10/48/97/267104897.db2.gz ALICGAUFNBOHHC-NSHDSACASA-N 1 0 266.345 -1.205 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367611427 267104921 /nfs/dbraw/zinc/10/49/21/267104921.db2.gz ALICGAUFNBOHHC-LLVKDONJSA-N 1 0 266.345 -1.205 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)C1CCC1 ZINC001152304409 782042174 /nfs/dbraw/zinc/04/21/74/782042174.db2.gz XLDMJNPFIGTSSI-UHFFFAOYSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001196911701 782043716 /nfs/dbraw/zinc/04/37/16/782043716.db2.gz OXXJSWMADDGCPQ-GHMZBOCLSA-N 1 0 279.340 -1.303 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825190 782060117 /nfs/dbraw/zinc/06/01/17/782060117.db2.gz BDIJEVICUGMAQZ-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198424742 782066035 /nfs/dbraw/zinc/06/60/35/782066035.db2.gz QUUIVABSQBMIIO-VXGBXAGGSA-N 1 0 295.343 -1.358 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198474460 782067661 /nfs/dbraw/zinc/06/76/61/782067661.db2.gz VBJMRVZRHSNFAV-NXEZZACHSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198466637 782066726 /nfs/dbraw/zinc/06/67/26/782066726.db2.gz TUHGFNVMLVQCGI-RKDXNWHRSA-N 1 0 254.290 -2.161 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198490370 782068756 /nfs/dbraw/zinc/06/87/56/782068756.db2.gz VBCRLYIRMLRYRJ-NXEZZACHSA-N 1 0 268.317 -1.771 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198690005 782070664 /nfs/dbraw/zinc/07/06/64/782070664.db2.gz RQEBELODDKZGNE-BFHYXJOUSA-N 1 0 295.383 -1.251 20 30 CAEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001198689650 782069724 /nfs/dbraw/zinc/06/97/24/782069724.db2.gz PGMKDDLDPTXZJQ-JHJVBQTASA-N 1 0 296.371 -1.360 20 30 CAEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671275 782069740 /nfs/dbraw/zinc/06/97/40/782069740.db2.gz FPMRNWXMHVFQEV-ZIAGYGMSSA-N 1 0 295.383 -1.107 20 30 CAEDRO COCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001199002174 782072562 /nfs/dbraw/zinc/07/25/62/782072562.db2.gz RMSLEGVZZUWMTH-UHFFFAOYSA-N 1 0 268.317 -1.147 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152517268 782072868 /nfs/dbraw/zinc/07/28/68/782072868.db2.gz RVBYXFBUIVYXOX-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](CO)Cc1c[nH]cn1 ZINC001251888285 782082446 /nfs/dbraw/zinc/08/24/46/782082446.db2.gz QWLMEJSWRDDXJS-NEPJUHHUSA-N 1 0 253.302 -1.087 20 30 CAEDRO C#CCOC[C@@H](O)CNC(=[NH2+])N1CCN(C)CC1 ZINC001251887454 782083118 /nfs/dbraw/zinc/08/31/18/782083118.db2.gz DBQVFLZUMYDFCL-NSHDSACASA-N 1 0 254.334 -1.231 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC001251891354 782083382 /nfs/dbraw/zinc/08/33/82/782083382.db2.gz QUYZBNOUBVKRFU-ZDUSSCGKSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(C)=O)CCCO1 ZINC001199600256 782083572 /nfs/dbraw/zinc/08/35/72/782083572.db2.gz HSYCUVQGTQEQPN-LBPRGKRZSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CC1(C(N)=O)CCOCC1 ZINC001251878160 782077444 /nfs/dbraw/zinc/07/74/44/782077444.db2.gz WWBDVLNHCXHDIX-NSHDSACASA-N 1 0 270.329 -1.131 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199451386 782079709 /nfs/dbraw/zinc/07/97/09/782079709.db2.gz UGHCIFSTYJHVJD-GHMZBOCLSA-N 1 0 267.329 -1.173 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001251884724 782080436 /nfs/dbraw/zinc/08/04/36/782080436.db2.gz FIZLDTMAOUWMJZ-LLVKDONJSA-N 1 0 256.302 -1.555 20 30 CAEDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C[C@@H](C)O1 ZINC000581425349 327783672 /nfs/dbraw/zinc/78/36/72/327783672.db2.gz NJBIEFLCOZCYLH-UTUOFQBUSA-N 1 0 284.360 -1.314 20 30 CAEDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CC(O)(CC#N)C2)CC1=O ZINC000186847935 327918710 /nfs/dbraw/zinc/91/87/10/327918710.db2.gz IPMODHMNJFQSIY-NSHDSACASA-N 1 0 294.355 -1.117 20 30 CAEDRO C[NH+](C)CCN1C[C@H](C(=O)N2CC(O)(CC#N)C2)CC1=O ZINC000186847916 327918872 /nfs/dbraw/zinc/91/88/72/327918872.db2.gz IPMODHMNJFQSIY-LLVKDONJSA-N 1 0 294.355 -1.117 20 30 CAEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)o1 ZINC000563445330 328067290 /nfs/dbraw/zinc/06/72/90/328067290.db2.gz BOLVFLPQAQKPPF-UHFFFAOYSA-N 1 0 298.324 -1.139 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001251894300 782085846 /nfs/dbraw/zinc/08/58/46/782085846.db2.gz RLWLPVGWOPOTAJ-JOYOIKCWSA-N 1 0 254.286 -1.218 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CCCO1 ZINC001199717628 782086164 /nfs/dbraw/zinc/08/61/64/782086164.db2.gz YPPHABCQJJEHGW-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001251894301 782086285 /nfs/dbraw/zinc/08/62/85/782086285.db2.gz RLWLPVGWOPOTAJ-SKDRFNHKSA-N 1 0 254.286 -1.218 20 30 CAEDRO N#Cc1cnc(C(=O)NCCN(CC[NH3+])N(O)N=O)cn1 ZINC001199670152 782086466 /nfs/dbraw/zinc/08/64/66/782086466.db2.gz YVWYTKMULGSULR-UHFFFAOYSA-N 1 0 294.275 -1.374 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199810312 782087348 /nfs/dbraw/zinc/08/73/48/782087348.db2.gz ILTHSINCQDLARO-LLVKDONJSA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199787963 782087711 /nfs/dbraw/zinc/08/77/11/782087711.db2.gz RLTSXHNOJJPZEK-NSHDSACASA-N 1 0 278.316 -1.487 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199785538 782087919 /nfs/dbraw/zinc/08/79/19/782087919.db2.gz AETBWIOVHXGNRU-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO C=CCOCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001199787862 782088059 /nfs/dbraw/zinc/08/80/59/782088059.db2.gz FWTNAHVLKIMFCW-UHFFFAOYSA-N 1 0 298.343 -1.036 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200143645 782093528 /nfs/dbraw/zinc/09/35/28/782093528.db2.gz DVWKMVFGUBMJHI-LBPRGKRZSA-N 1 0 297.355 -1.281 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200116649 782092426 /nfs/dbraw/zinc/09/24/26/782092426.db2.gz ZJMCCJRMIJNOJM-NXEZZACHSA-N 1 0 268.317 -1.162 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200154556 782092453 /nfs/dbraw/zinc/09/24/53/782092453.db2.gz MVZXEJMLFSCVDU-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001200170574 782093792 /nfs/dbraw/zinc/09/37/92/782093792.db2.gz BYPAXPATUPNZRM-UHFFFAOYSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CC(=O)NC)CC1 ZINC001200237319 782094387 /nfs/dbraw/zinc/09/43/87/782094387.db2.gz NMPYACCLDVODJZ-UHFFFAOYSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001200171291 782094438 /nfs/dbraw/zinc/09/44/38/782094438.db2.gz WLMKTJVMUUSHKK-SNVBAGLBSA-N 1 0 294.355 -1.420 20 30 CAEDRO CNC(=O)CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001200231301 782094559 /nfs/dbraw/zinc/09/45/59/782094559.db2.gz OBAWNZAMYBSPER-UHFFFAOYSA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001200170636 782094206 /nfs/dbraw/zinc/09/42/06/782094206.db2.gz DSIJMKFNJUNWTI-UHFFFAOYSA-N 1 0 280.328 -1.808 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000088130388 327016420 /nfs/dbraw/zinc/01/64/20/327016420.db2.gz CTATVSBLNHTGLG-UHFFFAOYSA-N 1 0 266.345 -1.076 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043709964 327262846 /nfs/dbraw/zinc/26/28/46/327262846.db2.gz MJGXCBVTSVHIKW-LBPRGKRZSA-N 1 0 296.371 -1.579 20 30 CAEDRO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C[NH3+])C1 ZINC000584524547 329511551 /nfs/dbraw/zinc/51/15/51/329511551.db2.gz NHALHGAFZIPFBY-TUAOUCFPSA-N 1 0 293.371 -1.104 20 30 CAEDRO C=CCSCCNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419157208 329709488 /nfs/dbraw/zinc/70/94/88/329709488.db2.gz VZZIKUYFZHIOCL-UHFFFAOYSA-N 1 0 275.374 -1.199 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCO[C@H](COC)C1 ZINC000261638862 329973875 /nfs/dbraw/zinc/97/38/75/329973875.db2.gz ACZOETYJLYDLAL-VIFPVBQESA-N 1 0 258.322 -1.345 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCO[C@@H](COC)C1 ZINC000261638859 329973973 /nfs/dbraw/zinc/97/39/73/329973973.db2.gz ACZOETYJLYDLAL-SECBINFHSA-N 1 0 258.322 -1.345 20 30 CAEDRO CS(=O)(=O)N1CC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000261770503 329982475 /nfs/dbraw/zinc/98/24/75/329982475.db2.gz GRVLITLXTMJOEB-JTQLQIEISA-N 1 0 290.389 -1.085 20 30 CAEDRO [NH2+]=C(NCCN1CCCS1(=O)=O)N1CCOCC1 ZINC000262013662 329997493 /nfs/dbraw/zinc/99/74/93/329997493.db2.gz VDBXACWGYDDDNJ-UHFFFAOYSA-N 1 0 276.362 -1.331 20 30 CAEDRO [NH2+]=C(NCCN1CCNC(=O)C1)NC[C@H]1CCCO1 ZINC000262155037 330000903 /nfs/dbraw/zinc/00/09/03/330000903.db2.gz BETSIAOAKOOBDT-SNVBAGLBSA-N 1 0 269.349 -1.499 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)NCC(=O)N1CCCC1 ZINC000262186429 330001548 /nfs/dbraw/zinc/00/15/48/330001548.db2.gz GFCRVUGSBCPJQY-UHFFFAOYSA-N 1 0 269.349 -1.138 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1 ZINC000262249330 330002649 /nfs/dbraw/zinc/00/26/49/330002649.db2.gz BPDBUNIBQZEONB-JTQLQIEISA-N 1 0 281.360 -1.043 20 30 CAEDRO C[C@@H]1CN(C(=[NH2+])NCCS(=O)(=O)N(C)C)CCO1 ZINC000262256068 330002931 /nfs/dbraw/zinc/00/29/31/330002931.db2.gz CTAHQMOAPXMSDI-SECBINFHSA-N 1 0 278.378 -1.087 20 30 CAEDRO C[NH+]=C(NCC(=O)NC1CC1)NCC(=O)N(C)C ZINC000262256594 330003132 /nfs/dbraw/zinc/00/31/32/330003132.db2.gz RKJMTSVNAUSBCV-UHFFFAOYSA-N 1 0 255.322 -1.482 20 30 CAEDRO CN(C)S(=O)(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000262322242 330005939 /nfs/dbraw/zinc/00/59/39/330005939.db2.gz SDSCNWNHEFAVTC-UHFFFAOYSA-N 1 0 264.351 -1.475 20 30 CAEDRO NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)O1 ZINC000262461166 330014584 /nfs/dbraw/zinc/01/45/84/330014584.db2.gz XNMMWQZIZJECOY-DTWKUNHWSA-N 1 0 256.306 -1.334 20 30 CAEDRO NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])N2CCOCC2)O1 ZINC000262461163 330014713 /nfs/dbraw/zinc/01/47/13/330014713.db2.gz XNMMWQZIZJECOY-BDAKNGLRSA-N 1 0 256.306 -1.334 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCN(C(C)=O)CC1 ZINC000263231718 330049817 /nfs/dbraw/zinc/04/98/17/330049817.db2.gz IGMZTKYNRDHPMJ-UHFFFAOYSA-N 1 0 255.322 -1.528 20 30 CAEDRO C[C@@H]1CN(C(=[NH2+])NCCNS(C)(=O)=O)CCO1 ZINC000262496209 330017601 /nfs/dbraw/zinc/01/76/01/330017601.db2.gz WMEWZFAAWGHLAZ-MRVPVSSYSA-N 1 0 264.351 -1.429 20 30 CAEDRO C[C@H]1CN(C(=[NH2+])NCC(=O)N2CCOCC2)CCO1 ZINC000262495648 330017694 /nfs/dbraw/zinc/01/76/94/330017694.db2.gz WGQKANJXWUFFSI-JTQLQIEISA-N 1 0 270.333 -1.119 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([NH3+])C2)C1=O ZINC000262509767 330017963 /nfs/dbraw/zinc/01/79/63/330017963.db2.gz MOKWWEFSICJNBS-SECBINFHSA-N 1 0 294.311 -1.087 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[NH2+]2)C1=O ZINC000262589636 330018042 /nfs/dbraw/zinc/01/80/42/330018042.db2.gz QMWAMNDNYBVXMK-SECBINFHSA-N 1 0 294.311 -1.169 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)C[NH3+])C1=O ZINC000262597579 330018143 /nfs/dbraw/zinc/01/81/43/330018143.db2.gz LNDBIVVROWJXED-MRVPVSSYSA-N 1 0 282.300 -1.231 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H](C)[NH3+])C1=O ZINC000262536081 330018145 /nfs/dbraw/zinc/01/81/45/330018145.db2.gz NZACCVTZXUFRHE-QMMMGPOBSA-N 1 0 282.300 -1.183 20 30 CAEDRO [NH2+]=C(NCCN1C(=O)CNC1=O)N1CCOCC1 ZINC000262549535 330020890 /nfs/dbraw/zinc/02/08/90/330020890.db2.gz XDWCAKZSIBVHNP-UHFFFAOYSA-N 1 0 255.278 -1.815 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+][C@H](C)C2)C1=O ZINC000262607330 330022575 /nfs/dbraw/zinc/02/25/75/330022575.db2.gz UGJLESXEIKQSOD-SECBINFHSA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CC[NH2+]C2)C1=O ZINC000262636520 330022642 /nfs/dbraw/zinc/02/26/42/330022642.db2.gz PVUSBPIXJDAVCU-VIFPVBQESA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C[NH3+])C1=O ZINC000262658648 330022655 /nfs/dbraw/zinc/02/26/55/330022655.db2.gz YCBFEIRHNDWUBZ-SECBINFHSA-N 1 0 294.311 -1.087 20 30 CAEDRO C[NH+]=C(NCCNS(C)(=O)=O)NCc1ccnn1C ZINC000262779276 330031027 /nfs/dbraw/zinc/03/10/27/330031027.db2.gz IUJLEOFZXJZFFX-UHFFFAOYSA-N 1 0 288.377 -1.366 20 30 CAEDRO [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000262827598 330034423 /nfs/dbraw/zinc/03/44/23/330034423.db2.gz YUVAVTPEPPCXAY-LLVKDONJSA-N 1 0 253.350 -1.367 20 30 CAEDRO [NH2+]=C(NCC(=O)N1CCOCC1)N1CCOCC1 ZINC000263110820 330044050 /nfs/dbraw/zinc/04/40/50/330044050.db2.gz AUTTWFMTSKBXQI-UHFFFAOYSA-N 1 0 256.306 -1.508 20 30 CAEDRO CNC(=[NH2+])NCCS(=O)(=O)N1CCSCC1 ZINC000263140100 330045518 /nfs/dbraw/zinc/04/55/18/330045518.db2.gz JKABCRFQFMFFBT-UHFFFAOYSA-N 1 0 266.392 -1.101 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([NH2+]C)C2)C1=O ZINC000269133985 330067906 /nfs/dbraw/zinc/06/79/06/330067906.db2.gz POYNUQAHXGEGIW-VIFPVBQESA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC([NH+](C)C)C2)C1=O ZINC000270832113 330076882 /nfs/dbraw/zinc/07/68/82/330076882.db2.gz KHQGQBJQEVERRE-UHFFFAOYSA-N 1 0 294.311 -1.264 20 30 CAEDRO C#CC[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000276880773 330114614 /nfs/dbraw/zinc/11/46/14/330114614.db2.gz AWQMJGUSBODNQA-UHFFFAOYSA-N 1 0 275.312 -1.001 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H](C)[NH2+]1 ZINC000423273017 330184847 /nfs/dbraw/zinc/18/48/47/330184847.db2.gz KDYAXEFLIYPSJO-AXFHLTTASA-N 1 0 280.328 -1.054 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)[C@@H](C)C[NH2+]1 ZINC000423642433 330213425 /nfs/dbraw/zinc/21/34/25/330213425.db2.gz XABJDENSYKBLJJ-OUAUKWLOSA-N 1 0 280.328 -1.054 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@H](C)C[NH2+]1 ZINC000423642429 330213445 /nfs/dbraw/zinc/21/34/45/330213445.db2.gz XABJDENSYKBLJJ-MXWKQRLJSA-N 1 0 280.328 -1.054 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)nn1 ZINC000424541613 330371590 /nfs/dbraw/zinc/37/15/90/330371590.db2.gz HNRJSHAFRFWOQX-SNVBAGLBSA-N 1 0 292.343 -1.099 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)nn1 ZINC000424541598 330371626 /nfs/dbraw/zinc/37/16/26/330371626.db2.gz HNRJSHAFRFWOQX-JTQLQIEISA-N 1 0 292.343 -1.099 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000424552710 330374516 /nfs/dbraw/zinc/37/45/16/330374516.db2.gz YBQJHTUGQRQESS-TUAOUCFPSA-N 1 0 297.355 -1.120 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000515832056 330483882 /nfs/dbraw/zinc/48/38/82/330483882.db2.gz HQUZTQNHAGHALP-WDEREUQCSA-N 1 0 282.344 -1.070 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000428194507 330515597 /nfs/dbraw/zinc/51/55/97/330515597.db2.gz FRHBXFBKNZYPTE-QMMMGPOBSA-N 1 0 280.284 -1.559 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)C[NH3+])C1=O ZINC000441612057 330771270 /nfs/dbraw/zinc/77/12/70/330771270.db2.gz KUUAWUBPWNYKKA-MRVPVSSYSA-N 1 0 282.300 -1.326 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000490713481 332107274 /nfs/dbraw/zinc/10/72/74/332107274.db2.gz KIDPXHJYKVFZKS-ZIAGYGMSSA-N 1 0 295.383 -1.155 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+]C2(CO)CCOCC2)CC1 ZINC000490741399 332111748 /nfs/dbraw/zinc/11/17/48/332111748.db2.gz REQOADFAZFWORQ-UHFFFAOYSA-N 1 0 295.383 -1.105 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000490741444 332111794 /nfs/dbraw/zinc/11/17/94/332111794.db2.gz VAWDWSWFAIEBDP-UONOGXRCSA-N 1 0 297.399 -1.173 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)C(=O)OC)CC1 ZINC000490914491 332128741 /nfs/dbraw/zinc/12/87/41/332128741.db2.gz JAWGJCFUZZDKAC-NSHDSACASA-N 1 0 268.313 -1.018 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)NCC(=O)OC)CC1 ZINC000490917707 332129223 /nfs/dbraw/zinc/12/92/23/332129223.db2.gz ZDDKGIOAUUHFDX-UHFFFAOYSA-N 1 0 295.339 -1.263 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000491504554 332224664 /nfs/dbraw/zinc/22/46/64/332224664.db2.gz IKKASHQVTHDUAQ-SNVBAGLBSA-N 1 0 273.358 -1.121 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000491615816 332243286 /nfs/dbraw/zinc/24/32/86/332243286.db2.gz GXTJAFVTGMFQCM-NSHDSACASA-N 1 0 280.328 -1.538 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000491619831 332245724 /nfs/dbraw/zinc/24/57/24/332245724.db2.gz CLDOVMUXJWCBGJ-CQSZACIVSA-N 1 0 294.355 -2.314 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000491619825 332245731 /nfs/dbraw/zinc/24/57/31/332245731.db2.gz CLDOVMUXJWCBGJ-AWEZNQCLSA-N 1 0 294.355 -2.314 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCC(=O)N1CCOCC1 ZINC000491619942 332245778 /nfs/dbraw/zinc/24/57/78/332245778.db2.gz FJWCLCXABJFHOZ-UHFFFAOYSA-N 1 0 267.329 -1.036 20 30 CAEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000491621451 332246725 /nfs/dbraw/zinc/24/67/25/332246725.db2.gz GHJWKIVALSOWKW-WPRPVWTQSA-N 1 0 254.246 -1.264 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000491623500 332247987 /nfs/dbraw/zinc/24/79/87/332247987.db2.gz PTKQZGNPEIQUKF-GHMZBOCLSA-N 1 0 267.329 -1.054 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000491623506 332248088 /nfs/dbraw/zinc/24/80/88/332248088.db2.gz PTKQZGNPEIQUKF-MNOVXSKESA-N 1 0 267.329 -1.054 20 30 CAEDRO C#CCN1C(=O)C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C1=O ZINC000491628176 332251496 /nfs/dbraw/zinc/25/14/96/332251496.db2.gz LJQKPIORJLIEPC-ZJUUUORDSA-N 1 0 263.297 -1.043 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCNC(=O)c1cnccn1 ZINC000491634472 332255844 /nfs/dbraw/zinc/25/58/44/332255844.db2.gz VJBADSCAUQEUGL-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000491641327 332260713 /nfs/dbraw/zinc/26/07/13/332260713.db2.gz PZPPAKQJGNQEDK-JTQLQIEISA-N 1 0 251.286 -1.721 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000491641328 332260836 /nfs/dbraw/zinc/26/08/36/332260836.db2.gz PZPPAKQJGNQEDK-SNVBAGLBSA-N 1 0 251.286 -1.721 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000491665931 332274312 /nfs/dbraw/zinc/27/43/12/332274312.db2.gz SIXWDEXXEXWQMU-NWDGAFQWSA-N 1 0 266.345 -1.066 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000491665935 332274320 /nfs/dbraw/zinc/27/43/20/332274320.db2.gz SIXWDEXXEXWQMU-VXGBXAGGSA-N 1 0 266.345 -1.066 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000491691065 332287847 /nfs/dbraw/zinc/28/78/47/332287847.db2.gz NOALXWLTVJQYTP-CYBMUJFWSA-N 1 0 292.383 -1.168 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CN(C)CCN1C ZINC000491694560 332290355 /nfs/dbraw/zinc/29/03/55/332290355.db2.gz VVZVROLLJDCKIN-GFCCVEGCSA-N 1 0 252.362 -1.039 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)CC1 ZINC000491705173 332298478 /nfs/dbraw/zinc/29/84/78/332298478.db2.gz IQADDCANIIJTJS-OCCSQVGLSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCN1CCNC(=O)C1 ZINC000491725107 332309225 /nfs/dbraw/zinc/30/92/25/332309225.db2.gz CXNIIWJWRABMGJ-UHFFFAOYSA-N 1 0 252.318 -1.853 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CC(=O)N1CCOCC1 ZINC000491769476 332336537 /nfs/dbraw/zinc/33/65/37/332336537.db2.gz KJGUNUCRKCPKMI-UHFFFAOYSA-N 1 0 253.302 -1.426 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000491774257 332340330 /nfs/dbraw/zinc/34/03/30/332340330.db2.gz TWDMSSMBCGFYFA-QWRGUYRKSA-N 1 0 265.313 -1.333 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000491788926 332351065 /nfs/dbraw/zinc/35/10/65/332351065.db2.gz TWDMSSMBCGFYFA-MNOVXSKESA-N 1 0 265.313 -1.333 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC000491810548 332363439 /nfs/dbraw/zinc/36/34/39/332363439.db2.gz IVXVFSGNZZJTQM-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC001200404609 782095330 /nfs/dbraw/zinc/09/53/30/782095330.db2.gz NULNDNLRAJAVIW-MNOVXSKESA-N 1 0 281.312 -1.065 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000177358864 333057942 /nfs/dbraw/zinc/05/79/42/333057942.db2.gz KKGHJPNTIVRPLY-STQMWFEESA-N 1 0 283.372 -1.251 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000575862585 335124860 /nfs/dbraw/zinc/12/48/60/335124860.db2.gz DZFOVJPTGRZHPB-LBPRGKRZSA-N 1 0 283.376 -1.786 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200480099 782095561 /nfs/dbraw/zinc/09/55/61/782095561.db2.gz WNWNTCYBUVBKTR-RYUDHWBXSA-N 1 0 297.355 -1.283 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000237194230 333378302 /nfs/dbraw/zinc/37/83/02/333378302.db2.gz DOZWRQYZRUCJKP-UHFFFAOYSA-N 1 0 289.405 -1.038 20 30 CAEDRO C#CCOCCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200499495 782095906 /nfs/dbraw/zinc/09/59/06/782095906.db2.gz AAZQESLMRCIJRI-LBPRGKRZSA-N 1 0 297.355 -1.281 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248668788 334312708 /nfs/dbraw/zinc/31/27/08/334312708.db2.gz BLFDFGQAJHDRLZ-ZANVPECISA-N 1 0 278.312 -1.202 20 30 CAEDRO CCN1CCOC[C@@H]1C(=O)NCCn1cnc(C#N)n1 ZINC000553522993 334389884 /nfs/dbraw/zinc/38/98/84/334389884.db2.gz JLWDTGUOJHKLEU-SNVBAGLBSA-N 1 0 278.316 -1.013 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000566105512 334623376 /nfs/dbraw/zinc/62/33/76/334623376.db2.gz VLACLCUSFNTBBI-WPRPVWTQSA-N 1 0 253.302 -1.218 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCCO1 ZINC001201148075 782100916 /nfs/dbraw/zinc/10/09/16/782100916.db2.gz WGAHSDOEKZQBJG-VXGBXAGGSA-N 1 0 279.340 -1.037 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201267966 782103525 /nfs/dbraw/zinc/10/35/25/782103525.db2.gz ARIOELGMYHLBGL-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001201314312 782103571 /nfs/dbraw/zinc/10/35/71/782103571.db2.gz RAHPQCCCRHICDW-UHFFFAOYSA-N 1 0 294.355 -1.548 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201303001 782103803 /nfs/dbraw/zinc/10/38/03/782103803.db2.gz XLPVQQSMQYGJAL-VIFPVBQESA-N 1 0 297.315 -2.681 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269545 782103912 /nfs/dbraw/zinc/10/39/12/782103912.db2.gz RFBOYGCUKDKEJU-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325202 782106230 /nfs/dbraw/zinc/10/62/30/782106230.db2.gz KLHVMMSNEMPONR-ZJUUUORDSA-N 1 0 292.339 -1.762 20 30 CAEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001273910960 782106290 /nfs/dbraw/zinc/10/62/90/782106290.db2.gz LTWZWNHCOUFLFB-LBPRGKRZSA-N 1 0 253.302 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325201 782106951 /nfs/dbraw/zinc/10/69/51/782106951.db2.gz KLHVMMSNEMPONR-VHSXEESVSA-N 1 0 292.339 -1.762 20 30 CAEDRO CC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001273847590 782097450 /nfs/dbraw/zinc/09/74/50/782097450.db2.gz AZLMDBJJTDVTHF-GFCCVEGCSA-N 1 0 268.317 -1.411 20 30 CAEDRO COCC#CC[NH2+]C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001200599109 782097582 /nfs/dbraw/zinc/09/75/82/782097582.db2.gz DPMKHUARLYFQRM-UHFFFAOYSA-N 1 0 292.343 -1.097 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520704 782097669 /nfs/dbraw/zinc/09/76/69/782097669.db2.gz XVUQHTRWOGKQPM-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520680 782097686 /nfs/dbraw/zinc/09/76/86/782097686.db2.gz XKKQIJNJDMCFBB-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 ZINC001201155573 782100314 /nfs/dbraw/zinc/10/03/14/782100314.db2.gz NUSRCLUOFGDYAH-VXGBXAGGSA-N 1 0 294.355 -1.150 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203326009 782109885 /nfs/dbraw/zinc/10/98/85/782109885.db2.gz ROJJYKAMMCKXQH-DTWKUNHWSA-N 1 0 293.327 -1.872 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202251633 782110083 /nfs/dbraw/zinc/11/00/83/782110083.db2.gz RDMLSMTVKXQZPK-UHFFFAOYSA-N 1 0 268.317 -1.646 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203326010 782110699 /nfs/dbraw/zinc/11/06/99/782110699.db2.gz ROJJYKAMMCKXQH-IUCAKERBSA-N 1 0 293.327 -1.872 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202251995 782110970 /nfs/dbraw/zinc/11/09/70/782110970.db2.gz VHSOOZPOTWPSDB-UHFFFAOYSA-N 1 0 266.301 -2.198 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203326011 782110977 /nfs/dbraw/zinc/11/09/77/782110977.db2.gz ROJJYKAMMCKXQH-RKDXNWHRSA-N 1 0 293.327 -1.872 20 30 CAEDRO COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001202231479 782112456 /nfs/dbraw/zinc/11/24/56/782112456.db2.gz NLDMPVKWCXEYPZ-LBPRGKRZSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn2cc[nH]c12 ZINC001149042430 782114536 /nfs/dbraw/zinc/11/45/36/782114536.db2.gz NTIYRFBKDCQTQC-UHFFFAOYSA-N 1 0 288.311 -1.269 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)CC ZINC001114364473 782118434 /nfs/dbraw/zinc/11/84/34/782118434.db2.gz YRNIFWNYJUMUPZ-IAZYJMLFSA-N 1 0 285.369 -1.395 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114376449 782119483 /nfs/dbraw/zinc/11/94/83/782119483.db2.gz MAHRWOFOFFTHBT-IAZYJMLFSA-N 1 0 264.329 -1.015 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)COC ZINC001153985373 782125290 /nfs/dbraw/zinc/12/52/90/782125290.db2.gz RIOXIEDUQARASR-UHFFFAOYSA-N 1 0 286.332 -1.260 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(C)c1 ZINC001154510161 782140063 /nfs/dbraw/zinc/14/00/63/782140063.db2.gz HQEJMFFVQUPHJJ-UHFFFAOYSA-N 1 0 277.328 -1.121 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CCn1ncn(C)c1=O ZINC001274229473 782140685 /nfs/dbraw/zinc/14/06/85/782140685.db2.gz XWATUZJDRLZUGB-PLNGDYQASA-N 1 0 277.328 -1.133 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001274264326 782142764 /nfs/dbraw/zinc/14/27/64/782142764.db2.gz XXEYHCVCFZGPKL-UMCURTJPSA-N 1 0 250.302 -1.095 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001274299601 782143417 /nfs/dbraw/zinc/14/34/17/782143417.db2.gz UYSDRSVSBHRXNB-WDEREUQCSA-N 1 0 287.385 -1.005 20 30 CAEDRO C[C@H]1CN(C(=O)c2cnon2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001274269024 782142116 /nfs/dbraw/zinc/14/21/16/782142116.db2.gz HXCPCJWLOOQKKW-WCBMZHEXSA-N 1 0 292.299 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnn(C)n1 ZINC001274439959 782146879 /nfs/dbraw/zinc/14/68/79/782146879.db2.gz YNUDWTKEOIPBFT-PLNGDYQASA-N 1 0 290.327 -1.560 20 30 CAEDRO C=CC[NH2+]C/C=C\CNC(=O)CN1C(=O)CNC1=O ZINC001274559682 782149455 /nfs/dbraw/zinc/14/94/55/782149455.db2.gz MSHKLVGXVGYYCW-ARJAWSKDSA-N 1 0 266.301 -1.014 20 30 CAEDRO C#CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274564403 782151359 /nfs/dbraw/zinc/15/13/59/782151359.db2.gz FDQYNXKYQBZEMG-WCQYABFASA-N 1 0 252.314 -1.103 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001274560451 782150422 /nfs/dbraw/zinc/15/04/22/782150422.db2.gz VWQMFYQSWNMIMX-FSIBCCDJSA-N 1 0 278.312 -1.130 20 30 CAEDRO C=C(C)C[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001274550235 782150507 /nfs/dbraw/zinc/15/05/07/782150507.db2.gz NWTOEADHXOPCKX-UHFFFAOYSA-N 1 0 255.318 -1.009 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001274560452 782150540 /nfs/dbraw/zinc/15/05/40/782150540.db2.gz VWQMFYQSWNMIMX-HMDXOVGESA-N 1 0 278.312 -1.130 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001274560454 782150549 /nfs/dbraw/zinc/15/05/49/782150549.db2.gz VWQMFYQSWNMIMX-XOULXFPDSA-N 1 0 278.312 -1.130 20 30 CAEDRO C#CCN1C[C@]2(CC[N@@H+](C[C@@H](O)C(=O)OC)C2)OCC1=O ZINC001274604753 782153010 /nfs/dbraw/zinc/15/30/10/782153010.db2.gz XPSLZGMUXGURIZ-BXUZGUMPSA-N 1 0 296.323 -1.543 20 30 CAEDRO C=CCN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274565257 782151834 /nfs/dbraw/zinc/15/18/34/782151834.db2.gz JPBXCCRBKHPSNR-WCQYABFASA-N 1 0 270.329 -1.171 20 30 CAEDRO C=CCOCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001274700558 782155998 /nfs/dbraw/zinc/15/59/98/782155998.db2.gz CBFKXAGCCZMZRS-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnnn1CC ZINC001274739928 782157804 /nfs/dbraw/zinc/15/78/04/782157804.db2.gz LPFUQINPEDYZHS-SNVBAGLBSA-N 1 0 292.343 -1.245 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001274780533 782159106 /nfs/dbraw/zinc/15/91/06/782159106.db2.gz AAOHSZFDBKRLMA-SNVBAGLBSA-N 1 0 255.318 -1.181 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001274863494 782159149 /nfs/dbraw/zinc/15/91/49/782159149.db2.gz BCLCRBRQXLGWSZ-SECBINFHSA-N 1 0 278.378 -1.289 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001274716906 782158208 /nfs/dbraw/zinc/15/82/08/782158208.db2.gz XHDOSHTYRJJDCS-NEPJUHHUSA-N 1 0 296.371 -1.839 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001274722490 782158320 /nfs/dbraw/zinc/15/83/20/782158320.db2.gz YNPMGPFZZNRXCO-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001274779520 782159873 /nfs/dbraw/zinc/15/98/73/782159873.db2.gz DCPWLXZEIMXYTB-WDEREUQCSA-N 1 0 282.344 -1.198 20 30 CAEDRO CNC(=O)NCC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001274781357 782159944 /nfs/dbraw/zinc/15/99/44/782159944.db2.gz VOWCABDRIKVILG-MRVPVSSYSA-N 1 0 284.320 -2.351 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001274877440 782161664 /nfs/dbraw/zinc/16/16/64/782161664.db2.gz CAZQEJREYWGFBQ-ZJUUUORDSA-N 1 0 280.328 -2.034 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001274937889 782162296 /nfs/dbraw/zinc/16/22/96/782162296.db2.gz DQUNABQXNXQBQR-SECBINFHSA-N 1 0 276.362 -1.890 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001274946369 782162790 /nfs/dbraw/zinc/16/27/90/782162790.db2.gz NMSMACIWCQXLLN-KOLCDFICSA-N 1 0 282.344 -1.516 20 30 CAEDRO Cn1cc(C#N)c(=O)n(C[C@H](O)C[N@H+](C)C2CC2)c1=O ZINC000290745701 523022525 /nfs/dbraw/zinc/02/25/25/523022525.db2.gz IATUGJBZQJFGBK-LLVKDONJSA-N 1 0 278.312 -1.126 20 30 CAEDRO COCC[N@H+](C)CCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000263825452 523614100 /nfs/dbraw/zinc/61/41/00/523614100.db2.gz ZNUDSCKWUVHJAY-UHFFFAOYSA-N 1 0 295.343 -1.054 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CNC(=O)NC ZINC001275173181 782165084 /nfs/dbraw/zinc/16/50/84/782165084.db2.gz AEHMDIZVTLHEIZ-VIFPVBQESA-N 1 0 283.332 -2.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)OCC#C ZINC001275149818 782165373 /nfs/dbraw/zinc/16/53/73/782165373.db2.gz NFZQUZDEWQROTR-RYUDHWBXSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)OCC#C ZINC001275149817 782165586 /nfs/dbraw/zinc/16/55/86/782165586.db2.gz NFZQUZDEWQROTR-NWDGAFQWSA-N 1 0 279.340 -1.132 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001275099455 782165542 /nfs/dbraw/zinc/16/55/42/782165542.db2.gz XTKUAJVGHYSVRD-RQJHMYQMSA-N 1 0 255.278 -1.565 20 30 CAEDRO C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001275129084 782165705 /nfs/dbraw/zinc/16/57/05/782165705.db2.gz ORGCUJAXNAWANW-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001275105695 782165787 /nfs/dbraw/zinc/16/57/87/782165787.db2.gz XHDOSHTYRJJDCS-NWDGAFQWSA-N 1 0 296.371 -1.839 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CS(C)(=O)=O ZINC001275092705 782166319 /nfs/dbraw/zinc/16/63/19/782166319.db2.gz YTEGTKSIFPOZMA-QMMMGPOBSA-N 1 0 290.345 -2.235 20 30 CAEDRO CCNC(=O)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001275128885 782166387 /nfs/dbraw/zinc/16/63/87/782166387.db2.gz USFQPCSQVXKSJJ-VIFPVBQESA-N 1 0 283.332 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1CC(NC(=O)CC(N)=O)C1 ZINC001275215629 782167611 /nfs/dbraw/zinc/16/76/11/782167611.db2.gz WRIRDCWPCFXPSZ-UHFFFAOYSA-N 1 0 280.328 -1.904 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037803059 545505022 /nfs/dbraw/zinc/50/50/22/545505022.db2.gz HMSDEGFXVNMUKF-RYUDHWBXSA-N 1 0 296.371 -1.844 20 30 CAEDRO C#CCNc1nc(NCCO)[nH+]c(NCCO)n1 ZINC000286842197 545534831 /nfs/dbraw/zinc/53/48/31/545534831.db2.gz FXOCBRIZKMHFAV-UHFFFAOYSA-N 1 0 252.278 -1.275 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000352413785 545536825 /nfs/dbraw/zinc/53/68/25/545536825.db2.gz QVGRDVAFGPEUGV-JTQLQIEISA-N 1 0 288.373 -1.066 20 30 CAEDRO C=C[C@@H](O)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000666266613 545549611 /nfs/dbraw/zinc/54/96/11/545549611.db2.gz WIKAEACVAPBCDC-SNVBAGLBSA-N 1 0 255.318 -1.234 20 30 CAEDRO COCC#CC[NH2+]CC1CC(NC(=O)C(N)=O)C1 ZINC001275279421 782168953 /nfs/dbraw/zinc/16/89/53/782168953.db2.gz URFKGVSCBVAJOM-UHFFFAOYSA-N 1 0 253.302 -1.394 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1CC(NC(=O)c2cnon2)C1 ZINC001275299048 782170413 /nfs/dbraw/zinc/17/04/13/782170413.db2.gz DNIBQINSRZQLCD-UHFFFAOYSA-N 1 0 292.299 -1.193 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001275328112 782170418 /nfs/dbraw/zinc/17/04/18/782170418.db2.gz JFGOOPWLBPFWIN-VIFPVBQESA-N 1 0 278.378 -1.337 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC001275391413 782171303 /nfs/dbraw/zinc/17/13/03/782171303.db2.gz DXZALKNYUYSWHC-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275406439 782171991 /nfs/dbraw/zinc/17/19/91/782171991.db2.gz MLGRFXWBXBMDJE-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001275553792 782174265 /nfs/dbraw/zinc/17/42/65/782174265.db2.gz OSVOKRHVIQPERN-NXEZZACHSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001275561309 782174423 /nfs/dbraw/zinc/17/44/23/782174423.db2.gz ZXQPOWQIHOGWKY-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001275615345 782175564 /nfs/dbraw/zinc/17/55/64/782175564.db2.gz PWVYDJBMHWOYDE-VIFPVBQESA-N 1 0 292.343 -1.087 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001275613120 782175935 /nfs/dbraw/zinc/17/59/35/782175935.db2.gz CMRVQHPKINCFAD-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001275574028 782176006 /nfs/dbraw/zinc/17/60/06/782176006.db2.gz MKKWXYACSZDJET-IUCAKERBSA-N 1 0 266.301 -1.346 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001275682058 782177858 /nfs/dbraw/zinc/17/78/58/782177858.db2.gz UJUSDZWAVJUHAW-SECBINFHSA-N 1 0 278.316 -1.396 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001275666506 782178396 /nfs/dbraw/zinc/17/83/96/782178396.db2.gz YDTZWLJMBFSIDF-PWSUYJOCSA-N 1 0 296.371 -1.174 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001275827871 782180588 /nfs/dbraw/zinc/18/05/88/782180588.db2.gz ODEDLPJBGJTKKH-NSHDSACASA-N 1 0 280.332 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)CNC(=O)OC ZINC001275890534 782182153 /nfs/dbraw/zinc/18/21/53/782182153.db2.gz HOLMSMWJFKXSLS-UHFFFAOYSA-N 1 0 298.343 -1.470 20 30 CAEDRO CC(C)NC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000104183921 582110949 /nfs/dbraw/zinc/11/09/49/582110949.db2.gz WZTZBZMDPMAWGX-UHFFFAOYSA-N 1 0 278.378 -1.039 20 30 CAEDRO [NH2+]=C(NCCCN1CCOCC1)NCC(=O)NC1CC1 ZINC000104157297 582112579 /nfs/dbraw/zinc/11/25/79/582112579.db2.gz UNBQMCBEKONDMG-UHFFFAOYSA-N 1 0 283.376 -1.108 20 30 CAEDRO C#CC1(O)CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000895968518 582115746 /nfs/dbraw/zinc/11/57/46/582115746.db2.gz PCGSCPBWWDPZSS-NSHDSACASA-N 1 0 294.355 -1.284 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728577373 582116558 /nfs/dbraw/zinc/11/65/58/582116558.db2.gz ZZRJJDZZCGXXKE-UHFFFAOYSA-N 1 0 292.383 -1.024 20 30 CAEDRO CCNC(NC[C@H](O)CS(C)(=O)=O)=[NH+]CC ZINC000899261953 582120792 /nfs/dbraw/zinc/12/07/92/582120792.db2.gz DMNAEFBHXOZQLA-QMMMGPOBSA-N 1 0 251.352 -1.033 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000730284131 582123793 /nfs/dbraw/zinc/12/37/93/582123793.db2.gz ZTRUYDZWVXEWRU-LBPRGKRZSA-N 1 0 278.356 -1.287 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCNCC1=O ZINC000834485382 582124175 /nfs/dbraw/zinc/12/41/75/582124175.db2.gz VVDSWXNWAUMLNW-IUCAKERBSA-N 1 0 251.290 -2.354 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000748812336 582142701 /nfs/dbraw/zinc/14/27/01/582142701.db2.gz CISPACQFEFQUDZ-ZIAGYGMSSA-N 1 0 276.384 -1.085 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000748812333 582142713 /nfs/dbraw/zinc/14/27/13/582142713.db2.gz CISPACQFEFQUDZ-OKILXGFUSA-N 1 0 276.384 -1.085 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN(CC(=O)NC)CC1 ZINC000764608898 582149288 /nfs/dbraw/zinc/14/92/88/582149288.db2.gz DQBCLFSRIXQLSX-UHFFFAOYSA-N 1 0 268.361 -1.006 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)CO)CC1 ZINC000791394109 582163258 /nfs/dbraw/zinc/16/32/58/582163258.db2.gz WZJKEODXNVIXSD-UHFFFAOYSA-N 1 0 255.318 -1.233 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000808772781 582170390 /nfs/dbraw/zinc/17/03/90/582170390.db2.gz GZVWBHLBHGADJN-CYBMUJFWSA-N 1 0 292.383 -1.039 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000818588733 582176393 /nfs/dbraw/zinc/17/63/93/582176393.db2.gz FIJVQKNFQIPOMG-UHFFFAOYSA-N 1 0 292.339 -1.231 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000818987657 582177028 /nfs/dbraw/zinc/17/70/28/582177028.db2.gz GJVMJTLMVWDVCY-LBPRGKRZSA-N 1 0 269.345 -1.591 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000819247857 582177247 /nfs/dbraw/zinc/17/72/47/582177247.db2.gz HYNPTTLPLLNMTR-UHFFFAOYSA-N 1 0 273.358 -1.393 20 30 CAEDRO CNC(=O)CNC(=S)NN=C1CC[NH+](CCO)CC1 ZINC000819807437 582178103 /nfs/dbraw/zinc/17/81/03/582178103.db2.gz GSHCIRKVUAAJHF-UHFFFAOYSA-N 1 0 287.389 -1.359 20 30 CAEDRO NC(=O)CNC(=S)NN=C1CC[NH+](CCO)CC1 ZINC000819808578 582178116 /nfs/dbraw/zinc/17/81/16/582178116.db2.gz ZBPOFXJZACVFJZ-UHFFFAOYSA-N 1 0 273.362 -1.620 20 30 CAEDRO O=C(N[C@H]1CCN(O)C1=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000820127924 582179054 /nfs/dbraw/zinc/17/90/54/582179054.db2.gz RROABAJLWFCFSM-UWVGGRQHSA-N 1 0 269.301 -1.187 20 30 CAEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCN(O)C2=O)C1 ZINC000820128109 582179067 /nfs/dbraw/zinc/17/90/67/582179067.db2.gz UJBRNPYQFDVEPE-JOYOIKCWSA-N 1 0 271.317 -1.061 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000830866036 582199218 /nfs/dbraw/zinc/19/92/18/582199218.db2.gz SAAYPTAPHHCTLZ-GHMZBOCLSA-N 1 0 268.313 -1.018 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000830866042 582199263 /nfs/dbraw/zinc/19/92/63/582199263.db2.gz SAAYPTAPHHCTLZ-QWRGUYRKSA-N 1 0 268.313 -1.018 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000834480789 582210311 /nfs/dbraw/zinc/21/03/11/582210311.db2.gz WCZNILOHJYKRFY-NGZCFLSTSA-N 1 0 288.311 -1.010 20 30 CAEDRO CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834498868 582210502 /nfs/dbraw/zinc/21/05/02/582210502.db2.gz CLZYPLHJNNMGFZ-QWRGUYRKSA-N 1 0 281.360 -1.329 20 30 CAEDRO CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499460 582210594 /nfs/dbraw/zinc/21/05/94/582210594.db2.gz IOKQPMRCBSWOOB-UWVGGRQHSA-N 1 0 288.373 -1.114 20 30 CAEDRO CCN1CCO[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000834499941 582210645 /nfs/dbraw/zinc/21/06/45/582210645.db2.gz OVIMMZBPUKHHEC-AXFHLTTASA-N 1 0 252.318 -1.065 20 30 CAEDRO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834500635 582210805 /nfs/dbraw/zinc/21/08/05/582210805.db2.gz VKUJIQPCNXOCHJ-YUMQZZPRSA-N 1 0 260.319 -1.894 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CSCC1=O ZINC000834505766 582210810 /nfs/dbraw/zinc/21/08/10/582210810.db2.gz NRQSAVGUYKRISY-JGVFFNPUSA-N 1 0 254.315 -1.253 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CCCNC1=O ZINC000834516109 582210878 /nfs/dbraw/zinc/21/08/78/582210878.db2.gz FKUPAAXGTDSHIX-DTWKUNHWSA-N 1 0 251.290 -1.371 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CCCNC1=O ZINC000834516111 582210913 /nfs/dbraw/zinc/21/09/13/582210913.db2.gz FKUPAAXGTDSHIX-RKDXNWHRSA-N 1 0 251.290 -1.371 20 30 CAEDRO C#C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000841880940 582212288 /nfs/dbraw/zinc/21/22/88/582212288.db2.gz KOMILGDPGAIZBR-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843460962 582214385 /nfs/dbraw/zinc/21/43/85/582214385.db2.gz ROZBVZCQRHWUSQ-DTWKUNHWSA-N 1 0 274.346 -1.504 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2nnnn2c1 ZINC000843458958 582214494 /nfs/dbraw/zinc/21/44/94/582214494.db2.gz AKQLDUHQJNEFCB-BDAKNGLRSA-N 1 0 257.257 -1.034 20 30 CAEDRO COC(=O)c1cn(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)nn1 ZINC000843459508 582214504 /nfs/dbraw/zinc/21/45/04/582214504.db2.gz FOKLHMCKWNALKY-JGVFFNPUSA-N 1 0 278.272 -1.708 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000843459289 582214535 /nfs/dbraw/zinc/21/45/35/582214535.db2.gz DSNGPBHGVZGWPA-GMSGAONNSA-N 1 0 295.324 -1.430 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000843459290 582214537 /nfs/dbraw/zinc/21/45/37/582214537.db2.gz DSNGPBHGVZGWPA-OIBJUYFYSA-N 1 0 295.324 -1.430 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCN1CCCS1(=O)=O ZINC000843462659 582214560 /nfs/dbraw/zinc/21/45/60/582214560.db2.gz RSWUJPIKCZXXQD-ZJUUUORDSA-N 1 0 286.357 -1.360 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1nc2n(n1)CCCN2 ZINC000843462054 582214597 /nfs/dbraw/zinc/21/45/97/582214597.db2.gz ZFRJARYAZLCLOB-JGVFFNPUSA-N 1 0 261.289 -1.807 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000843463018 582214655 /nfs/dbraw/zinc/21/46/55/582214655.db2.gz UIILGEMIVRFCHX-SCZZXKLOSA-N 1 0 291.267 -1.016 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1nc2n(n1)CCCN2 ZINC000843462056 582214673 /nfs/dbraw/zinc/21/46/73/582214673.db2.gz ZFRJARYAZLCLOB-YUMQZZPRSA-N 1 0 261.289 -1.807 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000843463022 582214689 /nfs/dbraw/zinc/21/46/89/582214689.db2.gz UIILGEMIVRFCHX-WPRPVWTQSA-N 1 0 291.267 -1.016 20 30 CAEDRO C#C[C@H](CO)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867340920 582215734 /nfs/dbraw/zinc/21/57/34/582215734.db2.gz GCPFFCPCRXZQDG-GFCCVEGCSA-N 1 0 289.401 -1.463 20 30 CAEDRO C#CCNC(=O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379868 582216611 /nfs/dbraw/zinc/21/66/11/582216611.db2.gz QLRWAFQENKNGHA-UHFFFAOYSA-N 1 0 266.345 -1.558 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844378825 582216640 /nfs/dbraw/zinc/21/66/40/582216640.db2.gz MMAQXWZAKJGFNJ-LBPRGKRZSA-N 1 0 280.372 -1.170 20 30 CAEDRO C#C[C@@H]1COCCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000867387193 582218694 /nfs/dbraw/zinc/21/86/94/582218694.db2.gz NGIOKBHUEOLPCN-VXGBXAGGSA-N 1 0 288.369 -1.019 20 30 CAEDRO C#C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000867387186 582218703 /nfs/dbraw/zinc/21/87/03/582218703.db2.gz NGIOKBHUEOLPCN-NEPJUHHUSA-N 1 0 288.369 -1.019 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000846229869 582221112 /nfs/dbraw/zinc/22/11/12/582221112.db2.gz ZBGPBWKFPOGBPD-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000846678103 582222982 /nfs/dbraw/zinc/22/29/82/582222982.db2.gz QXMQQQRMDVABGR-NXEZZACHSA-N 1 0 290.327 -1.391 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCCN1CCOCC1 ZINC000848980708 582227118 /nfs/dbraw/zinc/22/71/18/582227118.db2.gz HTULYPALYQRTRQ-UHFFFAOYSA-N 1 0 299.419 -1.184 20 30 CAEDRO C[NH+]=C(NCCOCCO)NCCN1CCOCC1 ZINC000848980864 582227217 /nfs/dbraw/zinc/22/72/17/582227217.db2.gz CHILHMMFMAJWFV-UHFFFAOYSA-N 1 0 274.365 -1.508 20 30 CAEDRO CNC(=O)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000848993622 582227230 /nfs/dbraw/zinc/22/72/30/582227230.db2.gz UVOBVXRQVJMWJH-UHFFFAOYSA-N 1 0 271.365 -1.380 20 30 CAEDRO C#CCCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848934864 582227243 /nfs/dbraw/zinc/22/72/43/582227243.db2.gz PCFQJHUICKYMAJ-NWDGAFQWSA-N 1 0 279.340 -1.207 20 30 CAEDRO CC(C)NS(=O)(=O)NCCNC1=[NH+]CCN1C ZINC000849022693 582227349 /nfs/dbraw/zinc/22/73/49/582227349.db2.gz SKYPHONIKZUMAM-UHFFFAOYSA-N 1 0 263.367 -1.290 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@](C)(CO)OC ZINC000849049446 582227392 /nfs/dbraw/zinc/22/73/92/582227392.db2.gz QOTJCMRMBHFTIN-ZDUSSCGKSA-N 1 0 288.392 -1.119 20 30 CAEDRO CNC(NCCC(=O)N1CCN(C(C)=O)CC1)=[NH+]C ZINC000849214496 582227599 /nfs/dbraw/zinc/22/75/99/582227599.db2.gz GVRMEZAUEYDWJI-UHFFFAOYSA-N 1 0 269.349 -1.138 20 30 CAEDRO O=C(C#CC1CC[NH2+]CC1)NCC(=O)N1CCOCC1 ZINC000852885680 582231989 /nfs/dbraw/zinc/23/19/89/582231989.db2.gz RNRYABNFDJMSDC-UHFFFAOYSA-N 1 0 279.340 -1.036 20 30 CAEDRO CNC(=O)[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852887028 582232062 /nfs/dbraw/zinc/23/20/62/582232062.db2.gz DCDKZZFAHGWCPI-LBPRGKRZSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000854094530 582233693 /nfs/dbraw/zinc/23/36/93/582233693.db2.gz USFALUYLJGFTHX-SNVBAGLBSA-N 1 0 290.389 -1.082 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)S(N)(=O)=O ZINC000854094529 582233706 /nfs/dbraw/zinc/23/37/06/582233706.db2.gz USFALUYLJGFTHX-JTQLQIEISA-N 1 0 290.389 -1.082 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)NCCS(N)(=O)=O ZINC000854094307 582233723 /nfs/dbraw/zinc/23/37/23/582233723.db2.gz LFJLOOIMNWINJO-UHFFFAOYSA-N 1 0 276.362 -1.471 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000854664094 582235515 /nfs/dbraw/zinc/23/55/15/582235515.db2.gz MHNDZOQQMUGELN-CYBMUJFWSA-N 1 0 294.355 -1.079 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC000854664096 582235521 /nfs/dbraw/zinc/23/55/21/582235521.db2.gz MHNDZOQQMUGELN-ZDUSSCGKSA-N 1 0 294.355 -1.079 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000854664177 582235615 /nfs/dbraw/zinc/23/56/15/582235615.db2.gz PAFIVRHDTRNUNE-JHJVBQTASA-N 1 0 282.340 -1.530 20 30 CAEDRO C#CCNC(=O)CN1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000858390392 582240033 /nfs/dbraw/zinc/24/00/33/582240033.db2.gz CZFYFKNVARLDMR-UHFFFAOYSA-N 1 0 290.331 -2.093 20 30 CAEDRO C#CCN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000859357104 582240957 /nfs/dbraw/zinc/24/09/57/582240957.db2.gz IGPFUSUMMPEVMZ-WDEREUQCSA-N 1 0 265.313 -1.203 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CCCO1 ZINC000861752954 582244832 /nfs/dbraw/zinc/24/48/32/582244832.db2.gz QVPPSYSAYRQISX-NEPJUHHUSA-N 1 0 297.355 -1.235 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1CCCO1 ZINC000861752686 582244879 /nfs/dbraw/zinc/24/48/79/582244879.db2.gz LQNGODLGUIAEBB-NWDGAFQWSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000861752241 582244881 /nfs/dbraw/zinc/24/48/81/582244881.db2.gz CUOHPPCCOGKIDH-MXWKQRLJSA-N 1 0 265.313 -1.239 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1CCCO1 ZINC000861752959 582244886 /nfs/dbraw/zinc/24/48/86/582244886.db2.gz QVPPSYSAYRQISX-NWDGAFQWSA-N 1 0 297.355 -1.235 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCCO1 ZINC000861752738 582244892 /nfs/dbraw/zinc/24/48/92/582244892.db2.gz NCMMVJCOOUYMNV-SDDRHHMPSA-N 1 0 295.339 -1.612 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC000861838048 582245475 /nfs/dbraw/zinc/24/54/75/582245475.db2.gz PBVVJLRGFLTXOR-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000863544371 582249028 /nfs/dbraw/zinc/24/90/28/582249028.db2.gz RTWCXQXWIMMVIX-UHFFFAOYSA-N 1 0 290.389 -1.289 20 30 CAEDRO CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000863563810 582249183 /nfs/dbraw/zinc/24/91/83/582249183.db2.gz RMLXUFWFNANKNA-VXGBXAGGSA-N 1 0 293.323 -1.006 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000864351795 582252229 /nfs/dbraw/zinc/25/22/29/582252229.db2.gz PAAWKYGMQRFVTO-KXUCPTDWSA-N 1 0 289.291 -1.706 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864350089 582252357 /nfs/dbraw/zinc/25/23/57/582252357.db2.gz CSLFUNDFBIAOFN-OPRDCNLKSA-N 1 0 262.265 -1.148 20 30 CAEDRO C#CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000865343301 582253085 /nfs/dbraw/zinc/25/30/85/582253085.db2.gz HPWJGSNPOLGAFR-UHFFFAOYSA-N 1 0 279.344 -1.028 20 30 CAEDRO C=C[C@H](O)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868389206 582256152 /nfs/dbraw/zinc/25/61/52/582256152.db2.gz YDQNTWLQVQJLPX-NEPJUHHUSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CC(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868390527 582256173 /nfs/dbraw/zinc/25/61/73/582256173.db2.gz LHFRCQSCSMJOMN-NSHDSACASA-N 1 0 267.329 -1.085 20 30 CAEDRO C=C[C@H](O)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868389208 582256224 /nfs/dbraw/zinc/25/62/24/582256224.db2.gz YDQNTWLQVQJLPX-RYUDHWBXSA-N 1 0 299.371 -1.171 20 30 CAEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000868396604 582256366 /nfs/dbraw/zinc/25/63/66/582256366.db2.gz MKHRMEJUEKBYHK-NSHDSACASA-N 1 0 281.360 -1.150 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000872233692 582258958 /nfs/dbraw/zinc/25/89/58/582258958.db2.gz VSNZBBKYPIWJDI-AWEZNQCLSA-N 1 0 295.339 -1.657 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000872227420 582258981 /nfs/dbraw/zinc/25/89/81/582258981.db2.gz DJNNKGWIQBPPAR-ZDUSSCGKSA-N 1 0 281.312 -1.063 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000872220344 582258988 /nfs/dbraw/zinc/25/89/88/582258988.db2.gz LZWQZBSPEPTDIQ-UWVGGRQHSA-N 1 0 283.328 -1.218 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH+]2[C@H](CO)CC[C@H]2CO)CC1 ZINC000878883123 582266769 /nfs/dbraw/zinc/26/67/69/582266769.db2.gz QVEPBYAZHDIZEU-KBPBESRZSA-N 1 0 295.383 -1.419 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000878982896 582267017 /nfs/dbraw/zinc/26/70/17/582267017.db2.gz GUEDQLTZUROORQ-DZGCQCFKSA-N 1 0 295.383 -1.419 20 30 CAEDRO C#CCNC(=O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879157363 582267163 /nfs/dbraw/zinc/26/71/63/582267163.db2.gz HJFCMLYIYZFVJY-CHWSQXEVSA-N 1 0 263.297 -1.280 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566169 582269900 /nfs/dbraw/zinc/26/99/00/582269900.db2.gz VTIHEWNTKIOJCJ-GFCCVEGCSA-N 1 0 254.286 -1.264 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCCO1 ZINC000884553188 582275357 /nfs/dbraw/zinc/27/53/57/582275357.db2.gz QUJZPXRCYCEINW-YFKTTZPYSA-N 1 0 277.324 -1.144 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000884674428 582275775 /nfs/dbraw/zinc/27/57/75/582275775.db2.gz VWCGKOMVQGQCAB-GFCCVEGCSA-N 1 0 293.371 -1.088 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000884678353 582275998 /nfs/dbraw/zinc/27/59/98/582275998.db2.gz YDJHMHQBQBIMNC-NSHDSACASA-N 1 0 279.344 -1.478 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000884678352 582276009 /nfs/dbraw/zinc/27/60/09/582276009.db2.gz YDJHMHQBQBIMNC-LLVKDONJSA-N 1 0 279.344 -1.478 20 30 CAEDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000884687760 582276087 /nfs/dbraw/zinc/27/60/87/582276087.db2.gz HSKWQEHXOVIHGP-UHFFFAOYSA-N 1 0 281.360 -1.230 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886185131 582278453 /nfs/dbraw/zinc/27/84/53/582278453.db2.gz QVJRGTRSRYCOBT-SNVBAGLBSA-N 1 0 288.373 -1.535 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC000939691488 612974973 /nfs/dbraw/zinc/97/49/73/612974973.db2.gz DXNKGVIPPSWPCP-ZJUUUORDSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000968854571 612960776 /nfs/dbraw/zinc/96/07/76/612960776.db2.gz UPQPWSXOVUGIAF-LLVKDONJSA-N 1 0 285.369 -1.154 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000969457307 612960939 /nfs/dbraw/zinc/96/09/39/612960939.db2.gz ONRGPKJEWHMKDU-LLVKDONJSA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000969138281 612961011 /nfs/dbraw/zinc/96/10/11/612961011.db2.gz QCCDPKNEEVFSCG-GFCCVEGCSA-N 1 0 278.356 -1.416 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000970160206 612961036 /nfs/dbraw/zinc/96/10/36/612961036.db2.gz ABELOLKQYMHMNG-SECBINFHSA-N 1 0 292.295 -1.769 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000970702862 612961056 /nfs/dbraw/zinc/96/10/56/612961056.db2.gz LRTFHWOVVYUKGV-GFCCVEGCSA-N 1 0 299.396 -1.460 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952917 612961243 /nfs/dbraw/zinc/96/12/43/612961243.db2.gz VHAJIYWGFYNNEW-BDAKNGLRSA-N 1 0 264.285 -1.592 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000970893002 612961273 /nfs/dbraw/zinc/96/12/73/612961273.db2.gz FJPWGZGFTFUOGZ-VHSXEESVSA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000969586021 612962717 /nfs/dbraw/zinc/96/27/17/612962717.db2.gz FOYXORVCTLKZQN-ZJUUUORDSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000970741463 612963544 /nfs/dbraw/zinc/96/35/44/612963544.db2.gz OYXCNWRZBQHBAP-NXEZZACHSA-N 1 0 271.342 -1.498 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000969939806 612963718 /nfs/dbraw/zinc/96/37/18/612963718.db2.gz MVDCSRLNTALBHH-OUAUKWLOSA-N 1 0 265.313 -1.157 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC000969901928 612964395 /nfs/dbraw/zinc/96/43/95/612964395.db2.gz FIJWTIXPQMBWOR-MRVPVSSYSA-N 1 0 297.340 -1.506 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000970704828 612966818 /nfs/dbraw/zinc/96/68/18/612966818.db2.gz CCFLIORWCFHVJW-SECBINFHSA-N 1 0 276.296 -1.077 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC000939691486 612968865 /nfs/dbraw/zinc/96/88/65/612968865.db2.gz DXNKGVIPPSWPCP-VHSXEESVSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000939530995 612968959 /nfs/dbraw/zinc/96/89/59/612968959.db2.gz SZNCERVVZSDKRG-WDEREUQCSA-N 1 0 292.339 -1.050 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000939809159 612970439 /nfs/dbraw/zinc/97/04/39/612970439.db2.gz HZOPCKBJPSXNGU-NXEZZACHSA-N 1 0 290.327 -1.553 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958354080 613033364 /nfs/dbraw/zinc/03/33/64/613033364.db2.gz FZDRMXLGLDEOHF-CMPLNLGQSA-N 1 0 290.323 -1.184 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958503818 613034149 /nfs/dbraw/zinc/03/41/49/613034149.db2.gz SYMFPHXMQUYAGA-VHSXEESVSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329348 613034165 /nfs/dbraw/zinc/03/41/65/613034165.db2.gz XIKYIXRJBUTYFQ-VHSXEESVSA-N 1 0 278.316 -1.744 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958035554 613034189 /nfs/dbraw/zinc/03/41/89/613034189.db2.gz HRUOUNAFRWFPLC-CMPLNLGQSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958035557 613034982 /nfs/dbraw/zinc/03/49/82/613034982.db2.gz HRUOUNAFRWFPLC-ZYHUDNBSSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958205583 613036548 /nfs/dbraw/zinc/03/65/48/613036548.db2.gz BAEBMIBFIOMXBD-ONGXEEELSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958482343 613036573 /nfs/dbraw/zinc/03/65/73/613036573.db2.gz ZLZWJMXCNVGWFK-JQWIXIFHSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958503817 613036620 /nfs/dbraw/zinc/03/66/20/613036620.db2.gz SYMFPHXMQUYAGA-UWVGGRQHSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958035556 613039700 /nfs/dbraw/zinc/03/97/00/613039700.db2.gz HRUOUNAFRWFPLC-PWSUYJOCSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958482344 613039876 /nfs/dbraw/zinc/03/98/76/613039876.db2.gz ZLZWJMXCNVGWFK-PWSUYJOCSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026048 613040130 /nfs/dbraw/zinc/04/01/30/613040130.db2.gz XWGBXIKGTXBQAE-MNOVXSKESA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958503819 613040165 /nfs/dbraw/zinc/04/01/65/613040165.db2.gz SYMFPHXMQUYAGA-ZJUUUORDSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329349 613040234 /nfs/dbraw/zinc/04/02/34/613040234.db2.gz XIKYIXRJBUTYFQ-ZJUUUORDSA-N 1 0 278.316 -1.744 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673484 613041378 /nfs/dbraw/zinc/04/13/78/613041378.db2.gz NFQUVGBTMRPWQH-YFKTTZPYSA-N 1 0 276.340 -1.015 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961479527 613042962 /nfs/dbraw/zinc/04/29/62/613042962.db2.gz MZXJGHFBTMZEFH-JYAVWHMHSA-N 1 0 290.367 -1.512 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959903256 613043530 /nfs/dbraw/zinc/04/35/30/613043530.db2.gz SQWJHXYPCXMBTA-IAZYJMLFSA-N 1 0 260.301 -1.257 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960651216 613043665 /nfs/dbraw/zinc/04/36/65/613043665.db2.gz UAEZBULBWWKJJQ-PJXYFTJBSA-N 1 0 289.339 -1.349 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961633190 613044328 /nfs/dbraw/zinc/04/43/28/613044328.db2.gz WVEUMLXCEHKFMP-YTWAJWBKSA-N 1 0 262.313 -1.263 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000980346474 613080645 /nfs/dbraw/zinc/08/06/45/613080645.db2.gz NTNHWYASXKEGMG-SNVBAGLBSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971821283 613082514 /nfs/dbraw/zinc/08/25/14/613082514.db2.gz KVYHGCBJHMCCMZ-LLVKDONJSA-N 1 0 277.328 -1.252 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972074462 613090105 /nfs/dbraw/zinc/09/01/05/613090105.db2.gz ATAUAOZBEQTPOZ-LBPRGKRZSA-N 1 0 278.356 -1.416 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971564538 613090799 /nfs/dbraw/zinc/09/07/99/613090799.db2.gz YFRQHXKPAXIUAF-JTQLQIEISA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971821284 613091339 /nfs/dbraw/zinc/09/13/39/613091339.db2.gz KVYHGCBJHMCCMZ-NSHDSACASA-N 1 0 277.328 -1.252 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000972442381 613091348 /nfs/dbraw/zinc/09/13/48/613091348.db2.gz ZBCAHHLMXXWRBZ-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000968432109 613214017 /nfs/dbraw/zinc/21/40/17/613214017.db2.gz VYFDGCFFRXAAFY-MNOVXSKESA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC000968622638 613214398 /nfs/dbraw/zinc/21/43/98/613214398.db2.gz AJXKXLRQIDZFKS-MNOVXSKESA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000968432108 613218233 /nfs/dbraw/zinc/21/82/33/613218233.db2.gz VYFDGCFFRXAAFY-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000944790016 613224957 /nfs/dbraw/zinc/22/49/57/613224957.db2.gz NXRLARCJAAWHJH-WDEREUQCSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967717406 613251654 /nfs/dbraw/zinc/25/16/54/613251654.db2.gz ATBDAZVXMDBSIF-QWHCGFSZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000968432111 613251811 /nfs/dbraw/zinc/25/18/11/613251811.db2.gz VYFDGCFFRXAAFY-WDEREUQCSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC000943673119 613258868 /nfs/dbraw/zinc/25/88/68/613258868.db2.gz BBUSVNMEIOXUFJ-MNOVXSKESA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 ZINC000942560577 613259445 /nfs/dbraw/zinc/25/94/45/613259445.db2.gz SDMNQNDIEOQCTI-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977576227 613280681 /nfs/dbraw/zinc/28/06/81/613280681.db2.gz MGUBNFGCESDODE-SNVBAGLBSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974921973 613280692 /nfs/dbraw/zinc/28/06/92/613280692.db2.gz MDGAOEOFMBVEFC-GFCCVEGCSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957820735 613285786 /nfs/dbraw/zinc/28/57/86/613285786.db2.gz KCVVVKOSYYZGDF-WDEREUQCSA-N 1 0 266.297 -1.083 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409514 613286309 /nfs/dbraw/zinc/28/63/09/613286309.db2.gz UMOJHRQUDKZOBI-JOYOIKCWSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000958000198 613287179 /nfs/dbraw/zinc/28/71/79/613287179.db2.gz VFSIVZNOWRGWLF-GXSJLCMTSA-N 1 0 277.328 -1.342 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958036970 613287379 /nfs/dbraw/zinc/28/73/79/613287379.db2.gz XQHOTSTXOAGFQM-GXSJLCMTSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953799 613287892 /nfs/dbraw/zinc/28/78/92/613287892.db2.gz RMEMJYDGCHKXGH-WDEREUQCSA-N 1 0 277.328 -1.221 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)C2=COCCO2)[C@H](O)C1 ZINC000957820732 613288336 /nfs/dbraw/zinc/28/83/36/613288336.db2.gz KCVVVKOSYYZGDF-GHMZBOCLSA-N 1 0 266.297 -1.083 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC000957843648 613289036 /nfs/dbraw/zinc/28/90/36/613289036.db2.gz UWSXRUPJUKMHFZ-CHWSQXEVSA-N 1 0 275.308 -1.024 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC000958649525 613289140 /nfs/dbraw/zinc/28/91/40/613289140.db2.gz OMCQQFXEJBEAFY-ZYHUDNBSSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC000958736086 613290005 /nfs/dbraw/zinc/29/00/05/613290005.db2.gz IVIIZKCNLBCYRL-ZYHUDNBSSA-N 1 0 292.339 -1.621 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000958163660 613290053 /nfs/dbraw/zinc/29/00/53/613290053.db2.gz FAEFWMSHNBKEDG-GHMZBOCLSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC000958320680 613290137 /nfs/dbraw/zinc/29/01/37/613290137.db2.gz QPRVJCHBAMBHSY-MWLCHTKSSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC000958000200 613290143 /nfs/dbraw/zinc/29/01/43/613290143.db2.gz VFSIVZNOWRGWLF-MWLCHTKSSA-N 1 0 277.328 -1.342 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958484538 613294242 /nfs/dbraw/zinc/29/42/42/613294242.db2.gz ACMJEJCWYKBTLE-QWRGUYRKSA-N 1 0 293.323 -1.919 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958014734 613294269 /nfs/dbraw/zinc/29/42/69/613294269.db2.gz IRACONRMPIRUCL-AAEUAGOBSA-N 1 0 279.340 -1.493 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409513 613294394 /nfs/dbraw/zinc/29/43/94/613294394.db2.gz UMOJHRQUDKZOBI-CABZTGNLSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149082 613294834 /nfs/dbraw/zinc/29/48/34/613294834.db2.gz MVACRXFADXCJGS-JQWIXIFHSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957845853 613295032 /nfs/dbraw/zinc/29/50/32/613295032.db2.gz CKKRBIBKRGSDAC-ONGXEEELSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC000958547067 613295489 /nfs/dbraw/zinc/29/54/89/613295489.db2.gz FZMUTXPIQALYPF-JQWIXIFHSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958036973 613295706 /nfs/dbraw/zinc/29/57/06/613295706.db2.gz XQHOTSTXOAGFQM-ONGXEEELSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958271369 613295778 /nfs/dbraw/zinc/29/57/78/613295778.db2.gz CDFSCPNPUVMTGS-JQWIXIFHSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2CC)C1 ZINC000958020690 613296135 /nfs/dbraw/zinc/29/61/35/613296135.db2.gz SHKZCKNPJWXTAC-JQWIXIFHSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953798 613296193 /nfs/dbraw/zinc/29/61/93/613296193.db2.gz RMEMJYDGCHKXGH-QWRGUYRKSA-N 1 0 277.328 -1.221 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958163662 613296223 /nfs/dbraw/zinc/29/62/23/613296223.db2.gz FAEFWMSHNBKEDG-QWRGUYRKSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957941035 613296263 /nfs/dbraw/zinc/29/62/63/613296263.db2.gz ZGIQLUAPXWVTCW-UWVGGRQHSA-N 1 0 275.312 -1.286 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC)n2)C1 ZINC000958040258 613296290 /nfs/dbraw/zinc/29/62/90/613296290.db2.gz BLHRFFUOWALIBP-JQWIXIFHSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958484537 613301976 /nfs/dbraw/zinc/30/19/76/613301976.db2.gz ACMJEJCWYKBTLE-MNOVXSKESA-N 1 0 293.323 -1.919 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958020956 613302425 /nfs/dbraw/zinc/30/24/25/613302425.db2.gz XCCAIPUBQFNACN-ZJUUUORDSA-N 1 0 279.296 -1.366 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149083 613302543 /nfs/dbraw/zinc/30/25/43/613302543.db2.gz MVACRXFADXCJGS-PWSUYJOCSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958649523 613302793 /nfs/dbraw/zinc/30/27/93/613302793.db2.gz OMCQQFXEJBEAFY-PWSUYJOCSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957843649 613302956 /nfs/dbraw/zinc/30/29/56/613302956.db2.gz UWSXRUPJUKMHFZ-OLZOCXBDSA-N 1 0 275.308 -1.024 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377800 613303469 /nfs/dbraw/zinc/30/34/69/613303469.db2.gz FBUDEGMTEJCFID-KOLCDFICSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958036971 613303887 /nfs/dbraw/zinc/30/38/87/613303887.db2.gz XQHOTSTXOAGFQM-KOLCDFICSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958031763 613304023 /nfs/dbraw/zinc/30/40/23/613304023.db2.gz WHCIMLRVMHPKJP-KOLCDFICSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC000978594381 613308528 /nfs/dbraw/zinc/30/85/28/613308528.db2.gz OMIAKCYMWOZJSW-YFKTTZPYSA-N 1 0 276.340 -1.063 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978638764 613312890 /nfs/dbraw/zinc/31/28/90/613312890.db2.gz RDRQPFQVNWYWIZ-OWUUHHOZSA-N 1 0 260.301 -1.249 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000960337369 613313496 /nfs/dbraw/zinc/31/34/96/613313496.db2.gz OMWJPNPFBHLBDT-QCBRBAQYSA-N 1 0 276.296 -1.736 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962487313 613313700 /nfs/dbraw/zinc/31/37/00/613313700.db2.gz YKIGNBKVMGMYDJ-IWIIMEHWSA-N 1 0 290.323 -1.440 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC000963104949 613313953 /nfs/dbraw/zinc/31/39/53/613313953.db2.gz YCQOTZIFFSXELZ-QISWUMQESA-N 1 0 275.308 -1.281 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000961919398 613314771 /nfs/dbraw/zinc/31/47/71/613314771.db2.gz WNPYPAGOHTWUDZ-QCBRBAQYSA-N 1 0 276.296 -1.736 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960868400 613314801 /nfs/dbraw/zinc/31/48/01/613314801.db2.gz VLACQNMRMQKLPR-IWIIMEHWSA-N 1 0 288.307 -1.372 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958621094 613314833 /nfs/dbraw/zinc/31/48/33/613314833.db2.gz DAZSKBFTWNWPTJ-JZYVYDRUSA-N 1 0 261.285 -1.337 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960647811 613314853 /nfs/dbraw/zinc/31/48/53/613314853.db2.gz MGOGHOLTIRYBIT-IAZYJMLFSA-N 1 0 275.312 -1.739 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962429149 613315093 /nfs/dbraw/zinc/31/50/93/613315093.db2.gz JTALMOOZTBDWQG-PJXYFTJBSA-N 1 0 289.339 -1.430 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962604207 613315566 /nfs/dbraw/zinc/31/55/66/613315566.db2.gz IDDMTURIKXEVAO-ZRUFSTJUSA-N 1 0 283.353 -1.642 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962604205 613316627 /nfs/dbraw/zinc/31/66/27/613316627.db2.gz IDDMTURIKXEVAO-YTWAJWBKSA-N 1 0 283.353 -1.642 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962505945 613322006 /nfs/dbraw/zinc/32/20/06/613322006.db2.gz DFBLBPPYXJQLKZ-MYJAWHEDSA-N 1 0 285.307 -1.131 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)nn1 ZINC000958471319 613428957 /nfs/dbraw/zinc/42/89/57/613428957.db2.gz INEAEWOZMGPUDF-ZYHUDNBSSA-N 1 0 295.343 -1.521 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958328298 613550176 /nfs/dbraw/zinc/55/01/76/613550176.db2.gz DGXRRJXCJRRXSB-NXEZZACHSA-N 1 0 280.332 -1.191 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958035546 613613745 /nfs/dbraw/zinc/61/37/45/613613745.db2.gz HIVSNRNGTSUWQV-CMPLNLGQSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958035549 613615251 /nfs/dbraw/zinc/61/52/51/613615251.db2.gz HIVSNRNGTSUWQV-ZYHUDNBSSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC000958036701 613615464 /nfs/dbraw/zinc/61/54/64/613615464.db2.gz SPNWBTJJICRSFF-ZYHUDNBSSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958329114 613616357 /nfs/dbraw/zinc/61/63/57/613616357.db2.gz SEMWLWKWFIQYMZ-NXEZZACHSA-N 1 0 278.316 -1.744 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015287 613618505 /nfs/dbraw/zinc/61/85/05/613618505.db2.gz KFMAPTBCGPAYEK-JSGCOSHPSA-N 1 0 293.367 -1.103 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958036699 613619041 /nfs/dbraw/zinc/61/90/41/613619041.db2.gz SPNWBTJJICRSFF-JQWIXIFHSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961634123 613636208 /nfs/dbraw/zinc/63/62/08/613636208.db2.gz BZQQIPVGMYKOOF-ZRUFSTJUSA-N 1 0 262.313 -1.263 20 30 CAEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970924473 613666483 /nfs/dbraw/zinc/66/64/83/613666483.db2.gz MBCMALNFBNTHSQ-SECBINFHSA-N 1 0 292.343 -1.001 20 30 CAEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970924474 613672894 /nfs/dbraw/zinc/67/28/94/613672894.db2.gz MBCMALNFBNTHSQ-VIFPVBQESA-N 1 0 292.343 -1.001 20 30 CAEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1=O ZINC000961651413 613740298 /nfs/dbraw/zinc/74/02/98/613740298.db2.gz VETXMMRRFSYXHN-YTWAJWBKSA-N 1 0 292.339 -1.695 20 30 CAEDRO C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958350750 613813599 /nfs/dbraw/zinc/81/35/99/613813599.db2.gz UJJZJBXMDNVYQS-GXSJLCMTSA-N 1 0 278.312 -1.022 20 30 CAEDRO C=CC[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC000958274700 613818326 /nfs/dbraw/zinc/81/83/26/613818326.db2.gz XAIHIOZATPHHTR-ZYHUDNBSSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958350754 613824608 /nfs/dbraw/zinc/82/46/08/613824608.db2.gz UJJZJBXMDNVYQS-ONGXEEELSA-N 1 0 278.312 -1.022 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648688 613825054 /nfs/dbraw/zinc/82/50/54/613825054.db2.gz ACBMLYQPENMBKE-JQWIXIFHSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958736480 613825320 /nfs/dbraw/zinc/82/53/20/613825320.db2.gz OZBWLLUJKLHEMH-JQWIXIFHSA-N 1 0 294.355 -1.068 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648689 613830893 /nfs/dbraw/zinc/83/08/93/613830893.db2.gz ACBMLYQPENMBKE-PWSUYJOCSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958274698 613831529 /nfs/dbraw/zinc/83/15/29/613831529.db2.gz XAIHIOZATPHHTR-PWSUYJOCSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000960336507 613837614 /nfs/dbraw/zinc/83/76/14/613837614.db2.gz LDCPWETWNGOQLR-QCBRBAQYSA-N 1 0 278.312 -1.183 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960653871 613837655 /nfs/dbraw/zinc/83/76/55/613837655.db2.gz FDAUMOFHIWAPBO-JYAVWHMHSA-N 1 0 292.383 -1.007 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961626133 613839278 /nfs/dbraw/zinc/83/92/78/613839278.db2.gz GQKQAXDQMJEQKA-QCLAVDOMSA-N 1 0 250.302 -1.100 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962610204 613840463 /nfs/dbraw/zinc/84/04/63/613840463.db2.gz VDTBADMEVLEDHO-YTWAJWBKSA-N 1 0 285.369 -1.090 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961626134 613840594 /nfs/dbraw/zinc/84/05/94/613840594.db2.gz GQKQAXDQMJEQKA-RGOKHQFPSA-N 1 0 250.302 -1.100 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000969143289 613864274 /nfs/dbraw/zinc/86/42/74/613864274.db2.gz RQJSWTJPOLMFJD-SNVBAGLBSA-N 1 0 265.317 -1.042 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968732613 613864300 /nfs/dbraw/zinc/86/43/00/613864300.db2.gz QQUQTTKIVDOOSC-SECBINFHSA-N 1 0 278.316 -1.247 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119049 613864516 /nfs/dbraw/zinc/86/45/16/613864516.db2.gz NGGUIZKPPMFLEF-BDAKNGLRSA-N 1 0 266.301 -1.039 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970797022 613867451 /nfs/dbraw/zinc/86/74/51/613867451.db2.gz VQPMNIBBVKCNJI-SECBINFHSA-N 1 0 278.316 -1.247 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001020422431 655995932 /nfs/dbraw/zinc/99/59/32/655995932.db2.gz ZMDJBICKAUYTSJ-GUBZILKMSA-N 1 0 299.352 -2.230 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463852 655996347 /nfs/dbraw/zinc/99/63/47/655996347.db2.gz KSUPNILWOVCBNQ-XYPYZODXSA-N 1 0 266.345 -1.159 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001020470677 655997141 /nfs/dbraw/zinc/99/71/41/655997141.db2.gz OVELZSIRGOTBMF-GUBZILKMSA-N 1 0 250.302 -1.120 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001020534811 656000153 /nfs/dbraw/zinc/00/01/53/656000153.db2.gz LIJNAKDKBAUCLI-OPRDCNLKSA-N 1 0 280.328 -1.505 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001020669652 656006712 /nfs/dbraw/zinc/00/67/12/656006712.db2.gz UKCFKIGFKIIWIB-KYZUINATSA-N 1 0 292.295 -1.723 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001020922137 656008834 /nfs/dbraw/zinc/00/88/34/656008834.db2.gz CVIDVMZVYPFVHX-KYZUINATSA-N 1 0 286.295 -1.099 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001020994291 656009487 /nfs/dbraw/zinc/00/94/87/656009487.db2.gz BZFGJBZWIRADDA-XYPYZODXSA-N 1 0 277.328 -1.240 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001021023924 656009992 /nfs/dbraw/zinc/00/99/92/656009992.db2.gz SUUVHLZLFVLRJI-KYZUINATSA-N 1 0 264.285 -1.592 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001021065530 656012296 /nfs/dbraw/zinc/01/22/96/656012296.db2.gz JUBAPSPLIHNYTC-OPRDCNLKSA-N 1 0 271.342 -1.452 20 30 CAEDRO CS(=O)(=O)NCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261943718 656025882 /nfs/dbraw/zinc/02/58/82/656025882.db2.gz FDFDPFQBCLJTDT-QMMMGPOBSA-N 1 0 264.351 -1.381 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001022108470 656025967 /nfs/dbraw/zinc/02/59/67/656025967.db2.gz BBJOEZNBGARCBM-DTORHVGOSA-N 1 0 276.300 -1.753 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001022167179 656026414 /nfs/dbraw/zinc/02/64/14/656026414.db2.gz LDKRWWTUABJJQR-PHIMTYICSA-N 1 0 285.369 -1.108 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001022165898 656026611 /nfs/dbraw/zinc/02/66/11/656026611.db2.gz GFWPPSUFNKAASQ-PHIMTYICSA-N 1 0 292.339 -1.030 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001022332650 656028680 /nfs/dbraw/zinc/02/86/80/656028680.db2.gz BBPKCONGMWKJDB-AOOOYVTPSA-N 1 0 263.301 -1.548 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926297849 656029302 /nfs/dbraw/zinc/02/93/02/656029302.db2.gz JFEFOVLOSVMXBN-UHFFFAOYSA-N 1 0 254.334 -1.348 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001022475292 656029348 /nfs/dbraw/zinc/02/93/48/656029348.db2.gz ZMDJBICKAUYTSJ-AEJSXWLSSA-N 1 0 299.352 -2.230 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001022635992 656033069 /nfs/dbraw/zinc/03/30/69/656033069.db2.gz LIJNAKDKBAUCLI-KXUCPTDWSA-N 1 0 280.328 -1.505 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001022805032 656034993 /nfs/dbraw/zinc/03/49/93/656034993.db2.gz UKCFKIGFKIIWIB-DTORHVGOSA-N 1 0 292.295 -1.723 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001022801490 656035127 /nfs/dbraw/zinc/03/51/27/656035127.db2.gz GSVHYWWQZZGKEE-AOOOYVTPSA-N 1 0 290.323 -1.432 20 30 CAEDRO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)nn1 ZINC001022824718 656035255 /nfs/dbraw/zinc/03/52/55/656035255.db2.gz MCDVVZKAIOKFFT-DTORHVGOSA-N 1 0 278.316 -1.200 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001022862061 656038053 /nfs/dbraw/zinc/03/80/53/656038053.db2.gz SBBIIKOKIDAZSI-DTORHVGOSA-N 1 0 264.285 -1.592 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001022862018 656038166 /nfs/dbraw/zinc/03/81/66/656038166.db2.gz PRRHFYONNNGCQX-DTORHVGOSA-N 1 0 266.301 -1.039 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001022969593 656040181 /nfs/dbraw/zinc/04/01/81/656040181.db2.gz CVIDVMZVYPFVHX-DTORHVGOSA-N 1 0 286.295 -1.099 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001022968847 656040308 /nfs/dbraw/zinc/04/03/08/656040308.db2.gz VPWCOQRVZYZJRH-AOOOYVTPSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001023064874 656041752 /nfs/dbraw/zinc/04/17/52/656041752.db2.gz SUUVHLZLFVLRJI-DTORHVGOSA-N 1 0 264.285 -1.592 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001023080735 656041802 /nfs/dbraw/zinc/04/18/02/656041802.db2.gz QFGUZHRADUNCOT-TXEJJXNPSA-N 1 0 299.396 -1.413 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023101332 656042680 /nfs/dbraw/zinc/04/26/80/656042680.db2.gz JUBAPSPLIHNYTC-KXUCPTDWSA-N 1 0 271.342 -1.452 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001023172827 656043689 /nfs/dbraw/zinc/04/36/89/656043689.db2.gz BGRWKFGCYNRGNX-BBBLOLIVSA-N 1 0 263.297 -1.091 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001023172828 656043951 /nfs/dbraw/zinc/04/39/51/656043951.db2.gz BGRWKFGCYNRGNX-LPEHRKFASA-N 1 0 263.297 -1.091 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1O ZINC001024358714 656051732 /nfs/dbraw/zinc/05/17/32/656051732.db2.gz RCMDVCSPNFAHCR-FRRDWIJNSA-N 1 0 279.340 -1.208 20 30 CAEDRO C[NH+](C)C[C@@H]1CN(C(=O)NCC#CCO)CCO1 ZINC000923780689 656054900 /nfs/dbraw/zinc/05/49/00/656054900.db2.gz OUYYYYVYBOJFQZ-LLVKDONJSA-N 1 0 255.318 -1.046 20 30 CAEDRO C[NH+](C)C[C@H]1CN(C(=O)NCC#CCO)CCO1 ZINC000923780690 656054948 /nfs/dbraw/zinc/05/49/48/656054948.db2.gz OUYYYYVYBOJFQZ-NSHDSACASA-N 1 0 255.318 -1.046 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC#CCO ZINC000923781168 656055606 /nfs/dbraw/zinc/05/56/06/656055606.db2.gz PUAKYJMTYYKEDN-LLVKDONJSA-N 1 0 254.334 -1.473 20 30 CAEDRO O=C(NCC#CCO)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935843358 656058779 /nfs/dbraw/zinc/05/87/79/656058779.db2.gz RAOGPWXDCSRSKB-OLZOCXBDSA-N 1 0 282.340 -1.022 20 30 CAEDRO CCN(C)C(=O)CNC(NCCN1CCOCC1)=[NH+]C ZINC000187051797 656074710 /nfs/dbraw/zinc/07/47/10/656074710.db2.gz KUQVJBVXBIBAKY-UHFFFAOYSA-N 1 0 285.392 -1.038 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519245 656088726 /nfs/dbraw/zinc/08/87/26/656088726.db2.gz IHLIHBMENFRDHK-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000931659996 656096869 /nfs/dbraw/zinc/09/68/69/656096869.db2.gz ITFAWNKIJKBWDK-ZDUSSCGKSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028111142 656106433 /nfs/dbraw/zinc/10/64/33/656106433.db2.gz WKZQMXCSOWPXSP-UWVGGRQHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028111138 656106574 /nfs/dbraw/zinc/10/65/74/656106574.db2.gz WKZQMXCSOWPXSP-NXEZZACHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028111145 656106584 /nfs/dbraw/zinc/10/65/84/656106584.db2.gz WKZQMXCSOWPXSP-ZJUUUORDSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028773597 656121707 /nfs/dbraw/zinc/12/17/07/656121707.db2.gz MYTPRZGZYQTLIL-VHSXEESVSA-N 1 0 250.302 -1.261 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028773594 656121783 /nfs/dbraw/zinc/12/17/83/656121783.db2.gz MYTPRZGZYQTLIL-NXEZZACHSA-N 1 0 250.302 -1.261 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001028836802 656122393 /nfs/dbraw/zinc/12/23/93/656122393.db2.gz CDRKZVQRTFHWOE-ZJUUUORDSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029001057 656123509 /nfs/dbraw/zinc/12/35/09/656123509.db2.gz PBQMEDOWIJIYAD-JTQLQIEISA-N 1 0 290.327 -1.552 20 30 CAEDRO CS(=O)(=O)NCCNC(=[NH2+])N1CCSCC1 ZINC000261970735 656123652 /nfs/dbraw/zinc/12/36/52/656123652.db2.gz DADPHLNGKXLQCE-UHFFFAOYSA-N 1 0 266.392 -1.101 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1=O ZINC000984728616 656128951 /nfs/dbraw/zinc/12/89/51/656128951.db2.gz PMMLFDCKPHMLFN-GMTAPVOTSA-N 1 0 294.355 -1.257 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000986288384 656136505 /nfs/dbraw/zinc/13/65/05/656136505.db2.gz BOHUGHGLXRLHKV-ZJUUUORDSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000986450002 656136766 /nfs/dbraw/zinc/13/67/66/656136766.db2.gz ZYBHNSZLGCNYRJ-QWHCGFSZSA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC000987484713 656140702 /nfs/dbraw/zinc/14/07/02/656140702.db2.gz YSIUTRACEPJSAS-VHSXEESVSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C ZINC000987484715 656140809 /nfs/dbraw/zinc/14/08/09/656140809.db2.gz YSIUTRACEPJSAS-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000988860313 656146608 /nfs/dbraw/zinc/14/66/08/656146608.db2.gz KNVVIXQWVMBDBQ-ZJUUUORDSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000988860306 656146841 /nfs/dbraw/zinc/14/68/41/656146841.db2.gz KNVVIXQWVMBDBQ-NXEZZACHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 ZINC000989062311 656147360 /nfs/dbraw/zinc/14/73/60/656147360.db2.gz INYSJXRTQXSPTM-GHMZBOCLSA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCNC(=O)C2)C1 ZINC000989297065 656148568 /nfs/dbraw/zinc/14/85/68/656148568.db2.gz YBARNRBITHQDII-VXGBXAGGSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000989565406 656149911 /nfs/dbraw/zinc/14/99/11/656149911.db2.gz GPIHZMYGVPDDET-NXEZZACHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000989565408 656150114 /nfs/dbraw/zinc/15/01/14/656150114.db2.gz GPIHZMYGVPDDET-VHSXEESVSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC000989766188 656152455 /nfs/dbraw/zinc/15/24/55/656152455.db2.gz OINIOMUXLBKVDT-VHSXEESVSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000989832847 656152722 /nfs/dbraw/zinc/15/27/22/656152722.db2.gz YWOIZSILKBBYPU-ZJUUUORDSA-N 1 0 290.327 -1.411 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@H]1COC ZINC000903877872 656187836 /nfs/dbraw/zinc/18/78/36/656187836.db2.gz YLROVEFITFMTSO-JTQLQIEISA-N 1 0 270.333 -1.082 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000904988499 656189082 /nfs/dbraw/zinc/18/90/82/656189082.db2.gz UMDPFQBCFIETHR-NSHDSACASA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCc1nnnn1C ZINC000905681855 656191583 /nfs/dbraw/zinc/19/15/83/656191583.db2.gz JBSZOXVZYYRYFP-UHFFFAOYSA-N 1 0 250.306 -1.128 20 30 CAEDRO C=CCNC(=O)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907236506 656195912 /nfs/dbraw/zinc/19/59/12/656195912.db2.gz PACDHUNTBAJVIQ-UHFFFAOYSA-N 1 0 268.361 -1.102 20 30 CAEDRO C#CC[C@@H](CO)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908310605 656212447 /nfs/dbraw/zinc/21/24/47/656212447.db2.gz NKLOGKYRNGXYJW-LBPRGKRZSA-N 1 0 253.346 -1.020 20 30 CAEDRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCCN(O)C2=O)C1 ZINC000908402344 656213277 /nfs/dbraw/zinc/21/32/77/656213277.db2.gz GBDNPIDRJNSUBU-LLVKDONJSA-N 1 0 284.360 -1.024 20 30 CAEDRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCCN(O)C2=O)C1 ZINC000908402345 656213562 /nfs/dbraw/zinc/21/35/62/656213562.db2.gz GBDNPIDRJNSUBU-NSHDSACASA-N 1 0 284.360 -1.024 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1OCCN(C)C1=O ZINC000908436504 656214506 /nfs/dbraw/zinc/21/45/06/656214506.db2.gz RINPVBXCRORDOA-NSHDSACASA-N 1 0 267.329 -1.085 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1CC(S(N)(=O)=O)C1 ZINC000910533144 656224828 /nfs/dbraw/zinc/22/48/28/656224828.db2.gz CCCJNMGIBPTENQ-UHFFFAOYSA-N 1 0 261.347 -1.006 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1CCCO1 ZINC000911145278 656235219 /nfs/dbraw/zinc/23/52/19/656235219.db2.gz DGANJWLYSJLYHY-NXEZZACHSA-N 1 0 265.313 -1.109 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911236319 656237826 /nfs/dbraw/zinc/23/78/26/656237826.db2.gz PMMSWFIGGWCDSN-LLVKDONJSA-N 1 0 282.344 -1.227 20 30 CAEDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000911367600 656242523 /nfs/dbraw/zinc/24/25/23/656242523.db2.gz RKAOUIBABWIMFB-VXGBXAGGSA-N 1 0 293.371 -1.232 20 30 CAEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CC2)C1=O ZINC000911504338 656249331 /nfs/dbraw/zinc/24/93/31/656249331.db2.gz XRUKDAWUJQIESL-JTQLQIEISA-N 1 0 294.355 -1.161 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CCNS(C)(=O)=O ZINC000913516200 656283528 /nfs/dbraw/zinc/28/35/28/656283528.db2.gz GAEPDNIAZOKBAJ-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000913516788 656283658 /nfs/dbraw/zinc/28/36/58/656283658.db2.gz GBFZBKDJOXOCMY-UHFFFAOYSA-N 1 0 287.385 -1.602 20 30 CAEDRO CCN1CCN(CC(=O)NCC#CC[NH+](C)C)C(=O)C1=O ZINC000913516915 656283705 /nfs/dbraw/zinc/28/37/05/656283705.db2.gz LPRNVKSZSUGDGJ-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000913524136 656283822 /nfs/dbraw/zinc/28/38/22/656283822.db2.gz AQQGVONHGDOBAV-ZJUUUORDSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC1CN(CC(=O)N(C)C)C1 ZINC001030464568 656313500 /nfs/dbraw/zinc/31/35/00/656313500.db2.gz ZRQJODPWXPCREM-ZDUSSCGKSA-N 1 0 292.383 -1.027 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCCS(C)(=O)=O ZINC000170904814 656317567 /nfs/dbraw/zinc/31/75/67/656317567.db2.gz AQCDYOCRSCESKS-UHFFFAOYSA-N 1 0 292.405 -1.472 20 30 CAEDRO C#CCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000923596374 656338742 /nfs/dbraw/zinc/33/87/42/656338742.db2.gz GJMXZKQDSBYACB-GFCCVEGCSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C(N)=O)C2)CC1 ZINC000993855045 656362056 /nfs/dbraw/zinc/36/20/56/656362056.db2.gz MAMSYGDNRUQBSW-UHFFFAOYSA-N 1 0 292.339 -1.856 20 30 CAEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC#CCO ZINC000923758964 656370843 /nfs/dbraw/zinc/37/08/43/656370843.db2.gz OHDFSWURLUAQLI-LLVKDONJSA-N 1 0 282.344 -1.257 20 30 CAEDRO Cn1c(C=NNC(N)=[NH2+])nc2c1c(=O)[nH]c(=O)n2C ZINC000920374972 656381135 /nfs/dbraw/zinc/38/11/35/656381135.db2.gz DOYRPUNKYGVNLC-UHFFFAOYSA-N 1 0 264.249 -1.810 20 30 CAEDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923762512 656383334 /nfs/dbraw/zinc/38/33/34/656383334.db2.gz IIEGYEZSEWFQGD-UHFFFAOYSA-N 1 0 284.360 -1.357 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001031965488 656415380 /nfs/dbraw/zinc/41/53/80/656415380.db2.gz KOMOKBDPPJLURI-UHFFFAOYSA-N 1 0 299.356 -1.095 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032192515 656469428 /nfs/dbraw/zinc/46/94/28/656469428.db2.gz JHUJIUDXAXRKQO-SNVBAGLBSA-N 1 0 273.358 -1.088 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032193665 656469542 /nfs/dbraw/zinc/46/95/42/656469542.db2.gz FDHDTRXNVNSKOD-NSHDSACASA-N 1 0 285.369 -1.251 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC1(C)C ZINC000996424201 656490455 /nfs/dbraw/zinc/49/04/55/656490455.db2.gz FZZOSPOLYSXSGL-JTQLQIEISA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC1(C)C ZINC000996585520 656492577 /nfs/dbraw/zinc/49/25/77/656492577.db2.gz PIIHZRCVWZVUQT-SNVBAGLBSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000996772955 656495945 /nfs/dbraw/zinc/49/59/45/656495945.db2.gz NNBBMAZRQHUQAG-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000997268121 656503943 /nfs/dbraw/zinc/50/39/43/656503943.db2.gz QORKSOWJIXPHAC-UHFFFAOYSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000997325292 656505049 /nfs/dbraw/zinc/50/50/49/656505049.db2.gz ZMTMBFXFNMYMBN-NSHDSACASA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O ZINC001032486607 656513332 /nfs/dbraw/zinc/51/33/32/656513332.db2.gz USQGLPFRUQITKD-QWRGUYRKSA-N 1 0 275.312 -1.500 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001032558571 656519346 /nfs/dbraw/zinc/51/93/46/656519346.db2.gz BEBQTISQIJDANS-STQMWFEESA-N 1 0 290.367 -1.273 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 ZINC001032595006 656524271 /nfs/dbraw/zinc/52/42/71/656524271.db2.gz BRSJQGTZTNDHFJ-DCAQKATOSA-N 1 0 262.313 -1.024 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 ZINC001032595007 656524661 /nfs/dbraw/zinc/52/46/61/656524661.db2.gz BRSJQGTZTNDHFJ-GARJFASQSA-N 1 0 262.313 -1.024 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000998796706 656562802 /nfs/dbraw/zinc/56/28/02/656562802.db2.gz RAWKYOGCPNJZBA-UHFFFAOYSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000999015401 656565167 /nfs/dbraw/zinc/56/51/67/656565167.db2.gz MSZPRQPSYZXXKZ-UHFFFAOYSA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC000999017097 656565279 /nfs/dbraw/zinc/56/52/79/656565279.db2.gz XAIIOGOTYYUBHB-UHFFFAOYSA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001032652910 656568964 /nfs/dbraw/zinc/56/89/64/656568964.db2.gz FZTJNXXVTJDNHE-DCAQKATOSA-N 1 0 290.323 -1.107 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000999322303 656572672 /nfs/dbraw/zinc/57/26/72/656572672.db2.gz GGTSEWGLANFTGO-RTBKNWGFSA-N 1 0 250.302 -1.120 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)C(N)=O)C2)C1=O ZINC000999329116 656574111 /nfs/dbraw/zinc/57/41/11/656574111.db2.gz APUBGWFPMJNJFD-ILDUYXDCSA-N 1 0 294.355 -1.162 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000999540676 656576321 /nfs/dbraw/zinc/57/63/21/656576321.db2.gz GYVRUZQRYLSKHN-NSHDSACASA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000999537420 656576683 /nfs/dbraw/zinc/57/66/83/656576683.db2.gz SKFFONALFYGQTG-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000999485579 656576768 /nfs/dbraw/zinc/57/67/68/656576768.db2.gz GECQHIQYHOWHTE-RTBKNWGFSA-N 1 0 278.312 -1.203 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000999537419 656577768 /nfs/dbraw/zinc/57/77/68/656577768.db2.gz SKFFONALFYGQTG-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000999396330 656578664 /nfs/dbraw/zinc/57/86/64/656578664.db2.gz ILYROSJJKSSALQ-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000999851933 656583452 /nfs/dbraw/zinc/58/34/52/656583452.db2.gz QVMBLJAONWVTTI-ILDUYXDCSA-N 1 0 285.369 -1.110 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000999851938 656584147 /nfs/dbraw/zinc/58/41/47/656584147.db2.gz QVMBLJAONWVTTI-VQXHTEKXSA-N 1 0 285.369 -1.110 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053457 656592873 /nfs/dbraw/zinc/59/28/73/656592873.db2.gz SNYNEDOSXBIPAQ-WDEREUQCSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000037904 656596304 /nfs/dbraw/zinc/59/63/04/656596304.db2.gz MBZLILAWFURBLB-ZJUUUORDSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O ZINC001032759609 656604018 /nfs/dbraw/zinc/60/40/18/656604018.db2.gz VITNGKKVKYJEPL-RYUDHWBXSA-N 1 0 289.339 -1.191 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001032771108 656604208 /nfs/dbraw/zinc/60/42/08/656604208.db2.gz NBOKHBCCIFKVKY-QWRGUYRKSA-N 1 0 290.323 -1.153 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001032788504 656604867 /nfs/dbraw/zinc/60/48/67/656604867.db2.gz GLBGAMCUJBHYCP-SRVKXCTJSA-N 1 0 297.380 -1.014 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001032788503 656605131 /nfs/dbraw/zinc/60/51/31/656605131.db2.gz GLBGAMCUJBHYCP-SDDRHHMPSA-N 1 0 297.380 -1.014 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001000473434 656606444 /nfs/dbraw/zinc/60/64/44/656606444.db2.gz CCXUBAWDMGSAFZ-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001003045370 656642921 /nfs/dbraw/zinc/64/29/21/656642921.db2.gz MSBIAEWECCDTIY-JTQLQIEISA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001003532922 656655227 /nfs/dbraw/zinc/65/52/27/656655227.db2.gz HFTFYPIAKAQJNB-SNVBAGLBSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001004110011 656672577 /nfs/dbraw/zinc/67/25/77/656672577.db2.gz XLYPDAXFGVDOJI-UHFFFAOYSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004200508 656679624 /nfs/dbraw/zinc/67/96/24/656679624.db2.gz BNNGLJKWFWAJGS-UHFFFAOYSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(O)(C(N)=O)CC1 ZINC000922626615 656681418 /nfs/dbraw/zinc/68/14/18/656681418.db2.gz CTLNWEZKKXPZFX-UHFFFAOYSA-N 1 0 296.371 -1.037 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097295 656683650 /nfs/dbraw/zinc/68/36/50/656683650.db2.gz WNUFVWXNDZKQDT-SNVBAGLBSA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328970 656705217 /nfs/dbraw/zinc/70/52/17/656705217.db2.gz RGIAVMNPSMGNCM-GFCCVEGCSA-N 1 0 278.356 -1.416 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001033381312 656707481 /nfs/dbraw/zinc/70/74/81/656707481.db2.gz WCMGZJOGAOQMJK-VHSXEESVSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001033381310 656709581 /nfs/dbraw/zinc/70/95/81/656709581.db2.gz WCMGZJOGAOQMJK-UWVGGRQHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507439 656716150 /nfs/dbraw/zinc/71/61/50/656716150.db2.gz GHIOQLKEUHGHGY-JTQLQIEISA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033643800 656725405 /nfs/dbraw/zinc/72/54/05/656725405.db2.gz FWEIUQRAGLDOBL-SNVBAGLBSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671713 656725836 /nfs/dbraw/zinc/72/58/36/656725836.db2.gz PQRXODQBQDUXDT-MNOVXSKESA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CCN1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033685469 656730045 /nfs/dbraw/zinc/73/00/45/656730045.db2.gz LSGXFLCVGBLPDO-JTQLQIEISA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000703135827 656745811 /nfs/dbraw/zinc/74/58/11/656745811.db2.gz HNPYLAJYKCZCBC-UHFFFAOYSA-N 1 0 273.358 -1.297 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001036140175 656788706 /nfs/dbraw/zinc/78/87/06/656788706.db2.gz BTLCTXWYNJQVRX-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC001036215364 656790055 /nfs/dbraw/zinc/79/00/55/656790055.db2.gz RJLHKZUMHQWSBG-QWRGUYRKSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001036215363 656790085 /nfs/dbraw/zinc/79/00/85/656790085.db2.gz RJLHKZUMHQWSBG-MNOVXSKESA-N 1 0 292.339 -1.002 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CCNCC[NH2+]CC1 ZINC000923464927 656804964 /nfs/dbraw/zinc/80/49/64/656804964.db2.gz SJCZHDIMCSKYAY-NSHDSACASA-N 1 0 283.376 -1.119 20 30 CAEDRO N#C[C@]12CN(C[C@@H]3C[NH2+]CCO3)C[C@H]1CS(=O)(=O)C2 ZINC000923531743 656805997 /nfs/dbraw/zinc/80/59/97/656805997.db2.gz UKPKZCZQPHCAFT-SDDRHHMPSA-N 1 0 285.369 -1.155 20 30 CAEDRO C#CCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000923574875 656806771 /nfs/dbraw/zinc/80/67/71/656806771.db2.gz JKSFTVMALZRJAD-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946918147 656807099 /nfs/dbraw/zinc/80/70/99/656807099.db2.gz DNIIRJSELPEMIF-GHMZBOCLSA-N 1 0 294.355 -1.022 20 30 CAEDRO C#CCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000923574890 656807274 /nfs/dbraw/zinc/80/72/74/656807274.db2.gz JKSFTVMALZRJAD-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO N#C[C@@]12CN(C[C@H]3C[NH2+]CCO3)C[C@H]1CS(=O)(=O)C2 ZINC000923550105 656807304 /nfs/dbraw/zinc/80/73/04/656807304.db2.gz UKPKZCZQPHCAFT-TUAOUCFPSA-N 1 0 285.369 -1.155 20 30 CAEDRO C#CC[N@H+](C)CCCNCc1cn(CC(N)=O)nn1 ZINC000883131287 656814668 /nfs/dbraw/zinc/81/46/68/656814668.db2.gz UQHVUDKDINPHJN-UHFFFAOYSA-N 1 0 264.333 -1.192 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926301419 656821926 /nfs/dbraw/zinc/82/19/26/656821926.db2.gz ZOLMXUVJDCEDFH-LBPRGKRZSA-N 1 0 255.318 -1.057 20 30 CAEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926406789 656823075 /nfs/dbraw/zinc/82/30/75/656823075.db2.gz MEUFUDFZSZIXSM-CQSZACIVSA-N 1 0 293.371 -1.230 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[N@H+]2C)C1=O ZINC000928561124 656826178 /nfs/dbraw/zinc/82/61/78/656826178.db2.gz CBZDAXCBFBTEDI-VIFPVBQESA-N 1 0 294.311 -1.217 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000928654148 656827960 /nfs/dbraw/zinc/82/79/60/656827960.db2.gz PBFAXEKSXNRIKN-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000931659995 656848554 /nfs/dbraw/zinc/84/85/54/656848554.db2.gz ITFAWNKIJKBWDK-CYBMUJFWSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933703206 656858699 /nfs/dbraw/zinc/85/86/99/656858699.db2.gz FYJFEVPSPCENRF-ZJUUUORDSA-N 1 0 273.358 -1.408 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933695002 656858806 /nfs/dbraw/zinc/85/88/06/656858806.db2.gz BQIRLDUHKMAGAN-MNOVXSKESA-N 1 0 287.385 -1.018 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933703675 656859193 /nfs/dbraw/zinc/85/91/93/656859193.db2.gz NBOGKOLGYQHDLK-VWYCJHECSA-N 1 0 287.385 -1.019 20 30 CAEDRO C#CCNC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000048573959 656868314 /nfs/dbraw/zinc/86/83/14/656868314.db2.gz FSONWRLLPAYNAZ-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@@H]2O)c1 ZINC000957957452 656936446 /nfs/dbraw/zinc/93/64/46/656936446.db2.gz NDSHNUWPJIHEJU-KOLCDFICSA-N 1 0 291.311 -1.606 20 30 CAEDRO COCCNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000303379279 656978814 /nfs/dbraw/zinc/97/88/14/656978814.db2.gz QGIUUQRLBWLVTC-UHFFFAOYSA-N 1 0 264.351 -1.427 20 30 CAEDRO COC[C@H](C)NC(=[NH2+])NCCCNS(C)(=O)=O ZINC000303875426 656982792 /nfs/dbraw/zinc/98/27/92/656982792.db2.gz DJWYZGUBBLYFEV-QMMMGPOBSA-N 1 0 266.367 -1.135 20 30 CAEDRO CCCNC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000303977551 656983012 /nfs/dbraw/zinc/98/30/12/656983012.db2.gz LKPXEFVADSPBCH-UHFFFAOYSA-N 1 0 278.378 -1.037 20 30 CAEDRO COC[C@H](C)NC(=[NH2+])NCCNS(C)(=O)=O ZINC000303772919 656983185 /nfs/dbraw/zinc/98/31/85/656983185.db2.gz DVZXUBGYEXJCBW-ZETCQYMHSA-N 1 0 252.340 -1.525 20 30 CAEDRO COC[C@@H](C)NC(=[NH2+])NCCCNS(C)(=O)=O ZINC000303875420 656983352 /nfs/dbraw/zinc/98/33/52/656983352.db2.gz DJWYZGUBBLYFEV-MRVPVSSYSA-N 1 0 266.367 -1.135 20 30 CAEDRO COC[C@@H](C)NC(=[NH2+])NCCNS(C)(=O)=O ZINC000303772915 656983572 /nfs/dbraw/zinc/98/35/72/656983572.db2.gz DVZXUBGYEXJCBW-SSDOTTSWSA-N 1 0 252.340 -1.525 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014503950 657148690 /nfs/dbraw/zinc/14/86/90/657148690.db2.gz SZJWUFWSOJYCBH-SECBINFHSA-N 1 0 278.316 -1.247 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014503954 657148999 /nfs/dbraw/zinc/14/89/99/657148999.db2.gz SZJWUFWSOJYCBH-VIFPVBQESA-N 1 0 278.316 -1.247 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014638845 657150243 /nfs/dbraw/zinc/15/02/43/657150243.db2.gz MKSOKUNPLVNDMH-NSHDSACASA-N 1 0 292.339 -1.077 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014772446 657152029 /nfs/dbraw/zinc/15/20/29/657152029.db2.gz FZRICXRHEVSHDQ-BDAKNGLRSA-N 1 0 266.301 -1.039 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014772450 657154323 /nfs/dbraw/zinc/15/43/23/657154323.db2.gz FZRICXRHEVSHDQ-IUCAKERBSA-N 1 0 266.301 -1.039 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014775540 657154465 /nfs/dbraw/zinc/15/44/65/657154465.db2.gz RYZZGEQMLVYZSS-IUCAKERBSA-N 1 0 264.285 -1.592 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014775537 657154520 /nfs/dbraw/zinc/15/45/20/657154520.db2.gz RYZZGEQMLVYZSS-BDAKNGLRSA-N 1 0 264.285 -1.592 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015009571 657157678 /nfs/dbraw/zinc/15/76/78/657157678.db2.gz PETOXEQCBJDRPN-NSHDSACASA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015001945 657159605 /nfs/dbraw/zinc/15/96/05/657159605.db2.gz XNPUUHWUBUWHNC-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015001010 657159674 /nfs/dbraw/zinc/15/96/74/657159674.db2.gz SJYFVLNHKVQHOF-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508668 657170405 /nfs/dbraw/zinc/17/04/05/657170405.db2.gz JUAGSMSXAKARGD-GFCCVEGCSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015632693 657177881 /nfs/dbraw/zinc/17/78/81/657177881.db2.gz ARUQARQDBBRJBI-UWVGGRQHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015774293 657185802 /nfs/dbraw/zinc/18/58/02/657185802.db2.gz YNFGCNQYDRYGPV-IUCAKERBSA-N 1 0 266.301 -1.039 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864557 657190077 /nfs/dbraw/zinc/19/00/77/657190077.db2.gz BRUXJACOOUMQBU-SECBINFHSA-N 1 0 266.301 -1.085 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199346 657201444 /nfs/dbraw/zinc/20/14/44/657201444.db2.gz JLMRHZHULNSWDM-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016203795 657204659 /nfs/dbraw/zinc/20/46/59/657204659.db2.gz VQWSDKDZMNVXDC-SECBINFHSA-N 1 0 266.301 -1.085 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016282992 657206946 /nfs/dbraw/zinc/20/69/46/657206946.db2.gz FQYFCIZKLODTIS-WDEREUQCSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016282986 657207129 /nfs/dbraw/zinc/20/71/29/657207129.db2.gz FQYFCIZKLODTIS-GHMZBOCLSA-N 1 0 285.369 -1.108 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016337987 657209464 /nfs/dbraw/zinc/20/94/64/657209464.db2.gz CIGWZYJHPUCERG-VIFPVBQESA-N 1 0 278.316 -1.247 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016429056 657211227 /nfs/dbraw/zinc/21/12/27/657211227.db2.gz BZRJDRBUAXNDNC-NXEZZACHSA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016429058 657211424 /nfs/dbraw/zinc/21/14/24/657211424.db2.gz BZRJDRBUAXNDNC-VHSXEESVSA-N 1 0 263.297 -1.137 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018633552 657236232 /nfs/dbraw/zinc/23/62/32/657236232.db2.gz XSCCJSNWNBCXQJ-UWVGGRQHSA-N 1 0 293.327 -1.112 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870585 657249506 /nfs/dbraw/zinc/24/95/06/657249506.db2.gz QCFGXXRTEBVRTK-VIFPVBQESA-N 1 0 276.300 -1.799 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001018975149 657251884 /nfs/dbraw/zinc/25/18/84/657251884.db2.gz YPLHLFKDGJBXAC-NSHDSACASA-N 1 0 265.313 -1.331 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001019104011 657255457 /nfs/dbraw/zinc/25/54/57/657255457.db2.gz UVIHHBIRXICUMC-JTQLQIEISA-N 1 0 276.296 -1.227 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001019188401 657255816 /nfs/dbraw/zinc/25/58/16/657255816.db2.gz ONRGPKJEWHMKDU-NSHDSACASA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019233350 657257600 /nfs/dbraw/zinc/25/76/00/657257600.db2.gz OLFRYHWCXDSGQU-NSHDSACASA-N 1 0 266.345 -1.205 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001019239113 657257813 /nfs/dbraw/zinc/25/78/13/657257813.db2.gz FOYXORVCTLKZQN-UWVGGRQHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527682 657271038 /nfs/dbraw/zinc/27/10/38/657271038.db2.gz PTINWNGVRFVFFV-VIFPVBQESA-N 1 0 264.285 -1.638 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001019645471 657275197 /nfs/dbraw/zinc/27/51/97/657275197.db2.gz KFRRWGHZLKWFPR-JTQLQIEISA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001019752435 657277361 /nfs/dbraw/zinc/27/73/61/657277361.db2.gz NPZLLEPHVZMGGJ-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019749028 657277367 /nfs/dbraw/zinc/27/73/67/657277367.db2.gz RWPZQGVSEWUQBZ-VIFPVBQESA-N 1 0 264.285 -1.638 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001019752436 657277735 /nfs/dbraw/zinc/27/77/35/657277735.db2.gz NPZLLEPHVZMGGJ-VHSXEESVSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001019753931 657280682 /nfs/dbraw/zinc/28/06/82/657280682.db2.gz YCARBBJWLPJBQF-JTQLQIEISA-N 1 0 263.297 -1.041 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001020174884 657289716 /nfs/dbraw/zinc/28/97/16/657289716.db2.gz WCDATOCFVWSAJY-KYZUINATSA-N 1 0 278.316 -1.200 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001020174440 657289795 /nfs/dbraw/zinc/28/97/95/657289795.db2.gz BBJOEZNBGARCBM-KYZUINATSA-N 1 0 276.300 -1.753 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001020212744 657291665 /nfs/dbraw/zinc/29/16/65/657291665.db2.gz CWXMAJMXBRTSRM-XYPYZODXSA-N 1 0 290.323 -1.583 20 30 CAEDRO CCC[C@@H](CC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257246098 782190448 /nfs/dbraw/zinc/19/04/48/782190448.db2.gz BYFUXPRZNCPPNZ-IYKVGLELSA-N 1 0 263.334 -1.203 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001276253547 782191213 /nfs/dbraw/zinc/19/12/13/782191213.db2.gz YCQJFUDKIDFIHK-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752820 782211075 /nfs/dbraw/zinc/21/10/75/782211075.db2.gz LNBVMQKFJBTQBB-IMSYWVGJSA-N 1 0 278.312 -2.344 20 30 CAEDRO C=CCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258718147 782216723 /nfs/dbraw/zinc/21/67/23/782216723.db2.gz HZCXMTLPNQIXOT-PREPNJAASA-N 1 0 261.318 -1.427 20 30 CAEDRO C=C[C@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253602815 782225258 /nfs/dbraw/zinc/22/52/58/782225258.db2.gz MANZJAMOLWQKOK-NSHDSACASA-N 1 0 277.390 -1.300 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001114888443 782223458 /nfs/dbraw/zinc/22/34/58/782223458.db2.gz HWJFIBQIQYMQIS-NNYUYHANSA-N 1 0 299.396 -1.006 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114932096 782226529 /nfs/dbraw/zinc/22/65/29/782226529.db2.gz FTHSOGXVSBIJKY-SRRSOLGSSA-N 1 0 294.355 -1.401 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001202801610 782241007 /nfs/dbraw/zinc/24/10/07/782241007.db2.gz FGZHDDVXFWNRDJ-LBPRGKRZSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038660902 782254038 /nfs/dbraw/zinc/25/40/38/782254038.db2.gz SDCFMRSYPRMKDH-UWVGGRQHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038660906 782254484 /nfs/dbraw/zinc/25/44/84/782254484.db2.gz SDCFMRSYPRMKDH-ZJUUUORDSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038660903 782254571 /nfs/dbraw/zinc/25/45/71/782254571.db2.gz SDCFMRSYPRMKDH-VHSXEESVSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038660899 782254714 /nfs/dbraw/zinc/25/47/14/782254714.db2.gz SDCFMRSYPRMKDH-NXEZZACHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039022811 782263817 /nfs/dbraw/zinc/26/38/17/782263817.db2.gz GJDVGYDKQRJFML-QWRGUYRKSA-N 1 0 285.369 -1.108 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124161 782358912 /nfs/dbraw/zinc/35/89/12/782358912.db2.gz MLMMHJMHROJVDV-NSHDSACASA-N 1 0 294.355 -1.069 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045177282 782413498 /nfs/dbraw/zinc/41/34/98/782413498.db2.gz XPMGOHHAUMDQPF-QWRGUYRKSA-N 1 0 294.355 -1.161 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045710269 782430533 /nfs/dbraw/zinc/43/05/33/782430533.db2.gz HGVIWNQCGYGIOH-SNVBAGLBSA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001045541426 782427577 /nfs/dbraw/zinc/42/75/77/782427577.db2.gz WLMXNVMUBQEXMR-MNOVXSKESA-N 1 0 294.355 -1.070 20 30 CAEDRO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058109 782432001 /nfs/dbraw/zinc/43/20/01/782432001.db2.gz CHSYMXZOWDUHNJ-NSHDSACASA-N 1 0 266.345 -1.124 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046017091 782432210 /nfs/dbraw/zinc/43/22/10/782432210.db2.gz LTOBCZHEEBJJES-LBPRGKRZSA-N 1 0 278.356 -1.287 20 30 CAEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046850044 782448911 /nfs/dbraw/zinc/44/89/11/782448911.db2.gz ZDLOTKRBGXQMGC-PWSUYJOCSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295028 782456644 /nfs/dbraw/zinc/45/66/44/782456644.db2.gz DRRIKOCANUWNGI-QWRGUYRKSA-N 1 0 278.316 -1.800 20 30 CAEDRO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047354058 782465468 /nfs/dbraw/zinc/46/54/68/782465468.db2.gz UVCRBDWCDWVLKN-RYUDHWBXSA-N 1 0 278.312 -1.004 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001047355794 782465926 /nfs/dbraw/zinc/46/59/26/782465926.db2.gz KTXCIKKRJIEURJ-MJBXVCDLSA-N 1 0 295.383 -1.156 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC001047363030 782466288 /nfs/dbraw/zinc/46/62/88/782466288.db2.gz VZENBYHQYXACER-KBPBESRZSA-N 1 0 293.367 -1.009 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC001047367705 782467913 /nfs/dbraw/zinc/46/79/13/782467913.db2.gz KSRBJWOEBNLPQA-VWYCJHECSA-N 1 0 281.312 -1.378 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397660 782473782 /nfs/dbraw/zinc/47/37/82/782473782.db2.gz CWYIIMKBBKNVBB-QWRGUYRKSA-N 1 0 265.317 -1.032 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047398349 782471609 /nfs/dbraw/zinc/47/16/09/782471609.db2.gz ZBWDPSOSOCCWIT-RYUDHWBXSA-N 1 0 277.328 -1.195 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001047401461 782472689 /nfs/dbraw/zinc/47/26/89/782472689.db2.gz RMXFBJMQRUQBCS-AGIUHOORSA-N 1 0 293.367 -1.009 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001047483062 782479574 /nfs/dbraw/zinc/47/95/74/782479574.db2.gz VHORGJQJIAWROD-VWYCJHECSA-N 1 0 267.329 -1.188 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001047485828 782481039 /nfs/dbraw/zinc/48/10/39/782481039.db2.gz AKFOEHNFGYLYFZ-WOPDTQHZSA-N 1 0 294.355 -1.463 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001047485827 782481498 /nfs/dbraw/zinc/48/14/98/782481498.db2.gz AKFOEHNFGYLYFZ-SRVKXCTJSA-N 1 0 294.355 -1.463 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047507323 782484329 /nfs/dbraw/zinc/48/43/29/782484329.db2.gz NTACMNOKTGWFSX-VWYCJHECSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047507274 782485448 /nfs/dbraw/zinc/48/54/48/782485448.db2.gz NJPUMFDWVCYGSX-VWYCJHECSA-N 1 0 280.328 -1.805 20 30 CAEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047506789 782485505 /nfs/dbraw/zinc/48/55/05/782485505.db2.gz GDEYKBVBDDGNBX-VWYCJHECSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001047566897 782491737 /nfs/dbraw/zinc/49/17/37/782491737.db2.gz SXFGIIVZMAJGPA-RYUDHWBXSA-N 1 0 277.328 -1.045 20 30 CAEDRO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620912 782500950 /nfs/dbraw/zinc/50/09/50/782500950.db2.gz XTTSLGXMCFYNPI-RYUDHWBXSA-N 1 0 277.328 -1.195 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048672128 782512516 /nfs/dbraw/zinc/51/25/16/782512516.db2.gz VNWOZVHAGBRULI-PHIMTYICSA-N 1 0 260.301 -1.304 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC001048906463 782520289 /nfs/dbraw/zinc/52/02/89/782520289.db2.gz LEIQNPKLYHDOAI-TXEJJXNPSA-N 1 0 289.339 -1.395 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048870286 782521700 /nfs/dbraw/zinc/52/17/00/782521700.db2.gz WMXQTZFHRJRZOX-AXFHLTTASA-N 1 0 290.323 -1.392 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019309 782523710 /nfs/dbraw/zinc/52/37/10/782523710.db2.gz QYFQHXAVZMIFTK-AXFHLTTASA-N 1 0 262.313 -1.309 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097381366 782548577 /nfs/dbraw/zinc/54/85/77/782548577.db2.gz VKFWBORUTJXWPJ-UTUOFQBUSA-N 1 0 289.339 -1.064 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001268714024 775469705 /nfs/dbraw/zinc/46/97/05/775469705.db2.gz ZYNAPGSMSPDSBM-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132715110 776749043 /nfs/dbraw/zinc/74/90/43/776749043.db2.gz GYNAXEGRCVKPOF-CQSZACIVSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715109 776750221 /nfs/dbraw/zinc/75/02/21/776750221.db2.gz GYNAXEGRCVKPOF-AWEZNQCLSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133206484 776774235 /nfs/dbraw/zinc/77/42/35/776774235.db2.gz SKMLEVAPNQJAMM-UHFFFAOYSA-N 1 0 271.277 -2.811 20 30 CAEDRO Cc1nocc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133227909 776774256 /nfs/dbraw/zinc/77/42/56/776774256.db2.gz QGTQFTCYCJYKFV-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133516484 776781010 /nfs/dbraw/zinc/78/10/10/776781010.db2.gz ZWLKKIHITYIOAH-ZJUUUORDSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001283803111 777919684 /nfs/dbraw/zinc/91/96/84/777919684.db2.gz DVXZIVRZSPWRGY-QWRGUYRKSA-N 1 0 292.343 -1.675 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001283803112 777919791 /nfs/dbraw/zinc/91/97/91/777919791.db2.gz DVXZIVRZSPWRGY-WDEREUQCSA-N 1 0 292.343 -1.675 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)NC(C)=O ZINC001284448895 777943780 /nfs/dbraw/zinc/94/37/80/777943780.db2.gz WLUPQAOEFVERKS-NEPJUHHUSA-N 1 0 269.345 -1.057 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC)NC(C)=O ZINC001284448897 777944115 /nfs/dbraw/zinc/94/41/15/777944115.db2.gz WLUPQAOEFVERKS-RYUDHWBXSA-N 1 0 269.345 -1.057 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001284448412 777944371 /nfs/dbraw/zinc/94/43/71/777944371.db2.gz OMJRXJPHYMMNRJ-LBPRGKRZSA-N 1 0 279.344 -1.210 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCOCCOC ZINC001153219786 779837661 /nfs/dbraw/zinc/83/76/61/779837661.db2.gz PFUZMXKIJIXBBM-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOCCOC ZINC001153219785 779837821 /nfs/dbraw/zinc/83/78/21/779837821.db2.gz PFUZMXKIJIXBBM-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001120795481 779644343 /nfs/dbraw/zinc/64/43/43/779644343.db2.gz USGAHNPZOJUWFY-JTQLQIEISA-N 1 0 283.328 -1.054 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123071368 779678102 /nfs/dbraw/zinc/67/81/02/779678102.db2.gz DCCLSJUKRDPACZ-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123072622 779679795 /nfs/dbraw/zinc/67/97/95/779679795.db2.gz UKZJDYDFLAQZNV-MRVPVSSYSA-N 1 0 269.305 -2.143 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CN(C)C(C)=O)C1=O ZINC001123814539 779693866 /nfs/dbraw/zinc/69/38/66/779693866.db2.gz AXOBSPYFDQEFRE-LBPRGKRZSA-N 1 0 296.371 -1.043 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123819496 779694208 /nfs/dbraw/zinc/69/42/08/779694208.db2.gz FDZYFKDCYKCCKJ-SNVBAGLBSA-N 1 0 284.360 -1.139 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123819490 779694327 /nfs/dbraw/zinc/69/43/27/779694327.db2.gz FDZYFKDCYKCCKJ-JTQLQIEISA-N 1 0 284.360 -1.139 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123814898 779694486 /nfs/dbraw/zinc/69/44/86/779694486.db2.gz JFAWKCQZJVDKLP-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123804717 779694568 /nfs/dbraw/zinc/69/45/68/779694568.db2.gz KAGQNPXHZDQWSD-UHFFFAOYSA-N 1 0 270.333 -1.527 20 30 CAEDRO COC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124182062 779706118 /nfs/dbraw/zinc/70/61/18/779706118.db2.gz PJBGAUIGDNGFFI-UHFFFAOYSA-N 1 0 271.277 -2.312 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)OC ZINC001124177553 779706405 /nfs/dbraw/zinc/70/64/05/779706405.db2.gz WYWSODLCCBTDCD-UHFFFAOYSA-N 1 0 270.289 -2.202 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)nn1C ZINC001124258035 779707801 /nfs/dbraw/zinc/70/78/01/779707801.db2.gz XLNPJEQUVSZYSD-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C)NC2=O)CC1 ZINC001137826410 779728544 /nfs/dbraw/zinc/72/85/44/779728544.db2.gz FATUXAMPPNYDMI-NSHDSACASA-N 1 0 264.329 -1.207 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C)NC2=O)CC1 ZINC001137826409 779728656 /nfs/dbraw/zinc/72/86/56/779728656.db2.gz FATUXAMPPNYDMI-LLVKDONJSA-N 1 0 264.329 -1.207 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159185259 779944337 /nfs/dbraw/zinc/94/43/37/779944337.db2.gz WAWGRDLXYIDROJ-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152517266 779827018 /nfs/dbraw/zinc/82/70/18/779827018.db2.gz RVBYXFBUIVYXOX-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO CCOCCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152564659 779827031 /nfs/dbraw/zinc/82/70/31/779827031.db2.gz LBSFMVAEELBGSA-UHFFFAOYSA-N 1 0 286.332 -1.615 20 30 CAEDRO CN(CCC[NH3+])C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001118573969 779577850 /nfs/dbraw/zinc/57/78/50/779577850.db2.gz MRJXAKDOMNONPJ-SECBINFHSA-N 1 0 254.290 -1.455 20 30 CAEDRO CN(CCC[NH3+])C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001118947784 779600206 /nfs/dbraw/zinc/60/02/06/779600206.db2.gz JRFULMRUKPMMOE-LBPRGKRZSA-N 1 0 293.371 -1.008 20 30 CAEDRO CN(CCC[NH3+])C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001118947783 779600305 /nfs/dbraw/zinc/60/03/05/779600305.db2.gz JRFULMRUKPMMOE-GFCCVEGCSA-N 1 0 293.371 -1.008 20 30 CAEDRO N#CCS(=O)(=O)N1CCNC2(CC[NH2+]CC2)C1 ZINC001238990401 780527963 /nfs/dbraw/zinc/52/79/63/780527963.db2.gz RQEZEFIKWGODDW-UHFFFAOYSA-N 1 0 258.347 -1.133 20 30 CAEDRO C=CCNC(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239287334 780535174 /nfs/dbraw/zinc/53/51/74/780535174.db2.gz YGOWDGIUWYSCKU-UHFFFAOYSA-N 1 0 255.366 -1.034 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CC1(C(N)=O)CCOCC1 ZINC001251878137 780578076 /nfs/dbraw/zinc/57/80/76/780578076.db2.gz WWBDVLNHCXHDIX-LLVKDONJSA-N 1 0 270.329 -1.131 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCN1C(=O)C=CC1=O ZINC001251888719 780578295 /nfs/dbraw/zinc/57/82/95/780578295.db2.gz ZANPXVGSJORGCV-JTQLQIEISA-N 1 0 252.270 -1.488 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCCN(CCO)CCO ZINC001251880706 780578631 /nfs/dbraw/zinc/57/86/31/780578631.db2.gz FQDXYJZVERPTFR-CYBMUJFWSA-N 1 0 274.361 -1.737 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001251891084 780578687 /nfs/dbraw/zinc/57/86/87/780578687.db2.gz LKWNCDZZRZSRHN-SNVBAGLBSA-N 1 0 256.302 -1.379 20 30 CAEDRO C#CCOC[C@H](O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001251854575 780578913 /nfs/dbraw/zinc/57/89/13/780578913.db2.gz HLOFQELTGDZTNK-GFCCVEGCSA-N 1 0 282.340 -1.022 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001278743471 780595982 /nfs/dbraw/zinc/59/59/82/780595982.db2.gz OMAAYFATTBDKIT-LLVKDONJSA-N 1 0 250.302 -1.006 20 30 CAEDRO C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001278749412 780596233 /nfs/dbraw/zinc/59/62/33/780596233.db2.gz JJNKRVXRCMLSLJ-JTQLQIEISA-N 1 0 298.343 -1.606 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001278751257 780596353 /nfs/dbraw/zinc/59/63/53/780596353.db2.gz YKLAVMYZVNAPLE-GHMZBOCLSA-N 1 0 265.317 -1.119 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001278751283 780596510 /nfs/dbraw/zinc/59/65/10/780596510.db2.gz YTWBYCPACSIHQJ-LLVKDONJSA-N 1 0 299.371 -1.694 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001278773764 780602437 /nfs/dbraw/zinc/60/24/37/780602437.db2.gz KJUQZPWSFVRSDT-NSHDSACASA-N 1 0 297.359 -1.433 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNS(=O)(=O)NC ZINC001278786316 780605340 /nfs/dbraw/zinc/60/53/40/780605340.db2.gz PMXJYFOFFYVOCZ-SECBINFHSA-N 1 0 292.361 -2.918 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001278794543 780605420 /nfs/dbraw/zinc/60/54/20/780605420.db2.gz CRXGKWANIZEWHF-BXUZGUMPSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001278794545 780605464 /nfs/dbraw/zinc/60/54/64/780605464.db2.gz CRXGKWANIZEWHF-RISCZKNCSA-N 1 0 279.340 -1.301 20 30 CAEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C1 ZINC001254652392 780607971 /nfs/dbraw/zinc/60/79/71/780607971.db2.gz CWZLUFREUKIWMF-BDAKNGLRSA-N 1 0 281.316 -2.014 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001278882161 780617769 /nfs/dbraw/zinc/61/77/69/780617769.db2.gz ASVDPLXIWWTBMR-NSHDSACASA-N 1 0 284.360 -1.181 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001278888877 780618769 /nfs/dbraw/zinc/61/87/69/780618769.db2.gz HTNVXTFVFWAPAH-NSHDSACASA-N 1 0 294.355 -1.278 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001278888874 780619014 /nfs/dbraw/zinc/61/90/14/780619014.db2.gz HTNVXTFVFWAPAH-LLVKDONJSA-N 1 0 294.355 -1.278 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001256584492 780624734 /nfs/dbraw/zinc/62/47/34/780624734.db2.gz DWASTNUMNRWPOH-AOOOYVTPSA-N 1 0 278.312 -1.535 20 30 CAEDRO CN1C(=O)[C@H]2CN(C(=O)NCC#CC[NH+](C)C)C[C@H]2C1=O ZINC001256585963 780625187 /nfs/dbraw/zinc/62/51/87/780625187.db2.gz YYQQBWLNHJCWOF-PHIMTYICSA-N 1 0 292.339 -1.192 20 30 CAEDRO C[C@@H](CNC(=O)NCC#CC[NH+](C)C)S(N)(=O)=O ZINC001256585382 780625298 /nfs/dbraw/zinc/62/52/98/780625298.db2.gz QGNAKUSKGQJUFO-VIFPVBQESA-N 1 0 276.362 -1.472 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189846 780405937 /nfs/dbraw/zinc/40/59/37/780405937.db2.gz NMSZMSWLQSGXFW-OLZOCXBDSA-N 1 0 291.355 -1.068 20 30 CAEDRO CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCCCCCO)C1 ZINC001221283153 780412890 /nfs/dbraw/zinc/41/28/90/780412890.db2.gz AMDIHMSSAORZNC-ZJUUUORDSA-N 1 0 294.373 -1.028 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccn(C)c1=O ZINC001278187045 780512297 /nfs/dbraw/zinc/51/22/97/780512297.db2.gz MSHCTONQEPJVTQ-JTQLQIEISA-N 1 0 263.297 -1.301 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001278178239 780512624 /nfs/dbraw/zinc/51/26/24/780512624.db2.gz DQCPSLHRPCLJTR-ZETCQYMHSA-N 1 0 296.283 -1.790 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001278187624 780513109 /nfs/dbraw/zinc/51/31/09/780513109.db2.gz VDXQGUVJEWCTQW-NSHDSACASA-N 1 0 290.323 -1.245 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nonc1C ZINC001278211330 780516269 /nfs/dbraw/zinc/51/62/69/780516269.db2.gz FVDFAEDPPJQIDN-VIFPVBQESA-N 1 0 297.315 -1.639 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1nonc1C ZINC001278211329 780516302 /nfs/dbraw/zinc/51/63/02/780516302.db2.gz FVDFAEDPPJQIDN-SECBINFHSA-N 1 0 297.315 -1.639 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001278230609 780519312 /nfs/dbraw/zinc/51/93/12/780519312.db2.gz DIGHJGNJGUEQRL-VHSXEESVSA-N 1 0 280.328 -1.810 20 30 CAEDRO N#Cc1ncn(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC001261833947 780689492 /nfs/dbraw/zinc/68/94/92/780689492.db2.gz QKIATVPRVWSLRS-SECBINFHSA-N 1 0 264.289 -1.667 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001262553244 780715807 /nfs/dbraw/zinc/71/58/07/780715807.db2.gz SPLZZQSLJXYCRA-DCAQKATOSA-N 1 0 265.313 -1.300 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC001263084676 780719237 /nfs/dbraw/zinc/71/92/37/780719237.db2.gz CDJFOZRYMWJQTD-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC001263084675 780719630 /nfs/dbraw/zinc/71/96/30/780719630.db2.gz CDJFOZRYMWJQTD-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1OCC ZINC001264522580 780738375 /nfs/dbraw/zinc/73/83/75/780738375.db2.gz NJQRVCZWWCVHFM-VXGBXAGGSA-N 1 0 292.343 -1.241 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001264650623 780738540 /nfs/dbraw/zinc/73/85/40/780738540.db2.gz YIOXZOAMBNUQTF-MNOVXSKESA-N 1 0 292.339 -1.999 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001264430728 780739241 /nfs/dbraw/zinc/73/92/41/780739241.db2.gz LVLRAFFZSNGGEW-SRVKXCTJSA-N 1 0 294.355 -1.198 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001279724407 780776513 /nfs/dbraw/zinc/77/65/13/780776513.db2.gz IWFFCGMWZRMJKT-LLVKDONJSA-N 1 0 267.329 -1.492 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)c1nnn(C)n1 ZINC001279800837 780776582 /nfs/dbraw/zinc/77/65/82/780776582.db2.gz NJQNDQCKGCYSJN-UHFFFAOYSA-N 1 0 266.305 -1.743 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)C(N)=O)C1=O ZINC001279810436 780776619 /nfs/dbraw/zinc/77/66/19/780776619.db2.gz QPZBVAUZFYUTFA-SNVBAGLBSA-N 1 0 298.343 -2.331 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001279724411 780776642 /nfs/dbraw/zinc/77/66/42/780776642.db2.gz IWFFCGMWZRMJKT-NSHDSACASA-N 1 0 267.329 -1.492 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001279745800 780776809 /nfs/dbraw/zinc/77/68/09/780776809.db2.gz GOUQUKRBNDQRAE-GFCCVEGCSA-N 1 0 281.356 -1.102 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cc[nH]c1 ZINC001279725383 780776832 /nfs/dbraw/zinc/77/68/32/780776832.db2.gz XBTTYXDOKTWVBS-UHFFFAOYSA-N 1 0 293.327 -1.321 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CCc1cnn(C)n1 ZINC001279830596 780777628 /nfs/dbraw/zinc/77/76/28/780777628.db2.gz HLNPZYPOGLCXGQ-UHFFFAOYSA-N 1 0 279.344 -1.209 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)c1cn(C)c(=O)n1C ZINC001279912296 780777950 /nfs/dbraw/zinc/77/79/50/780777950.db2.gz XRBQXPIZLYFAMT-UHFFFAOYSA-N 1 0 294.355 -1.229 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1nc[nH]n1 ZINC001279857401 780778207 /nfs/dbraw/zinc/77/82/07/780778207.db2.gz CAQZMAMCTWVYAN-UHFFFAOYSA-N 1 0 281.316 -1.521 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CNC(C)=O ZINC001281689070 780805559 /nfs/dbraw/zinc/80/55/59/780805559.db2.gz ALVWFTRVVDOYAV-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001282465296 780818435 /nfs/dbraw/zinc/81/84/35/780818435.db2.gz RMHGGECYBCYRQD-PWSUYJOCSA-N 1 0 296.371 -1.174 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001282455363 780818638 /nfs/dbraw/zinc/81/86/38/780818638.db2.gz OTUXFWHYBXBLRO-MRVPVSSYSA-N 1 0 299.356 -1.260 20 30 CAEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001282465295 780819102 /nfs/dbraw/zinc/81/91/02/780819102.db2.gz RMHGGECYBCYRQD-JQWIXIFHSA-N 1 0 296.371 -1.174 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001282486353 780819627 /nfs/dbraw/zinc/81/96/27/780819627.db2.gz QSLWAEQHZQOUGY-JTQLQIEISA-N 1 0 280.328 -1.050 20 30 CAEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001282498711 780819833 /nfs/dbraw/zinc/81/98/33/780819833.db2.gz ZSZHZETWWWXDFK-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001282486366 780819994 /nfs/dbraw/zinc/81/99/94/780819994.db2.gz QSLWAEQHZQOUGY-SNVBAGLBSA-N 1 0 280.328 -1.050 20 30 CAEDRO CC(=O)N[C@@H](CS)C(=O)n1cnc(C[NH3+])cc1=N ZINC001144417390 781454617 /nfs/dbraw/zinc/45/46/17/781454617.db2.gz UWTJDMYKSKMIJL-QMMMGPOBSA-N 1 0 269.330 -1.104 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185865 781903341 /nfs/dbraw/zinc/90/33/41/781903341.db2.gz QIKQXYQSRVWNTJ-VXGBXAGGSA-N 1 0 267.329 -1.351 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001054673334 782598991 /nfs/dbraw/zinc/59/89/91/782598991.db2.gz QZSDKGDELSGORS-VHSXEESVSA-N 1 0 290.327 -1.553 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001054673335 782599857 /nfs/dbraw/zinc/59/98/57/782599857.db2.gz QZSDKGDELSGORS-ZJUUUORDSA-N 1 0 290.327 -1.553 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001054673333 782600052 /nfs/dbraw/zinc/60/00/52/782600052.db2.gz QZSDKGDELSGORS-UWVGGRQHSA-N 1 0 290.327 -1.553 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001054745885 782601841 /nfs/dbraw/zinc/60/18/41/782601841.db2.gz DZEQZYYMEILZJL-NEPJUHHUSA-N 1 0 279.340 -1.085 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC001054819980 782601966 /nfs/dbraw/zinc/60/19/66/782601966.db2.gz MPSNJXYOGIWUJV-QWHCGFSZSA-N 1 0 292.383 -1.170 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001054970026 782604388 /nfs/dbraw/zinc/60/43/88/782604388.db2.gz YLROWODSEISDSG-VXGBXAGGSA-N 1 0 278.356 -1.512 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001054970024 782604524 /nfs/dbraw/zinc/60/45/24/782604524.db2.gz YLROWODSEISDSG-NWDGAFQWSA-N 1 0 278.356 -1.512 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055632041 782613965 /nfs/dbraw/zinc/61/39/65/782613965.db2.gz OVCWFSYFPNJYDZ-VIFPVBQESA-N 1 0 295.343 -1.672 20 30 CAEDRO CCCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255313326 782724308 /nfs/dbraw/zinc/72/43/08/782724308.db2.gz KVAPVAWDWVWRQV-PREPNJAASA-N 1 0 263.334 -1.203 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001070112616 782744839 /nfs/dbraw/zinc/74/48/39/782744839.db2.gz JRBFSRQBYYLUNM-MNOVXSKESA-N 1 0 263.301 -1.101 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070013756 782744876 /nfs/dbraw/zinc/74/48/76/782744876.db2.gz FBVTZACJRQACRL-ZJUUUORDSA-N 1 0 278.316 -1.319 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001070162112 782747700 /nfs/dbraw/zinc/74/77/00/782747700.db2.gz RLUPDMBOHGVMRW-ZJUUUORDSA-N 1 0 276.300 -1.872 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 ZINC001070297656 782749500 /nfs/dbraw/zinc/74/95/00/782749500.db2.gz JJAOGWIPMFPXRG-ZJUUUORDSA-N 1 0 286.299 -1.315 20 30 CAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001071206436 782759132 /nfs/dbraw/zinc/75/91/32/782759132.db2.gz KFJHIALOYZUNEJ-GWCFXTLKSA-N 1 0 265.313 -1.203 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072735703 782784949 /nfs/dbraw/zinc/78/49/49/782784949.db2.gz MQVLTNBPAVLSIF-UHFFFAOYSA-N 1 0 260.301 -1.159 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072932459 782785549 /nfs/dbraw/zinc/78/55/49/782785549.db2.gz SULDQYGVAMZJMU-JTQLQIEISA-N 1 0 262.313 -1.165 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020136 782788791 /nfs/dbraw/zinc/78/87/91/782788791.db2.gz LNJURUIHFHPBDH-JTQLQIEISA-N 1 0 290.323 -1.248 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751804 782797903 /nfs/dbraw/zinc/79/79/03/782797903.db2.gz IREREEMGYFTQSE-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751676 782798950 /nfs/dbraw/zinc/79/89/50/782798950.db2.gz GETDZNIXVYNVJB-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751803 782799344 /nfs/dbraw/zinc/79/93/44/782799344.db2.gz IREREEMGYFTQSE-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001074690277 782810249 /nfs/dbraw/zinc/81/02/49/782810249.db2.gz MUDLHNUYYBHELH-GUBZILKMSA-N 1 0 278.312 -1.203 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1=O ZINC001074846228 782812973 /nfs/dbraw/zinc/81/29/73/782812973.db2.gz SQWOXMOTZVKKHB-GARJFASQSA-N 1 0 294.355 -1.162 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001075115628 782814296 /nfs/dbraw/zinc/81/42/96/782814296.db2.gz RKNUAHXMZHMTDD-DCAQKATOSA-N 1 0 285.369 -1.110 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099631140 782823782 /nfs/dbraw/zinc/82/37/82/782823782.db2.gz UFMQROJTDHKDND-WDEREUQCSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099635556 782824881 /nfs/dbraw/zinc/82/48/81/782824881.db2.gz GCZINROVTBEIGM-QWHCGFSZSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099635554 782825877 /nfs/dbraw/zinc/82/58/77/782825877.db2.gz GCZINROVTBEIGM-CHWSQXEVSA-N 1 0 299.371 -1.124 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099637730 782826006 /nfs/dbraw/zinc/82/60/06/782826006.db2.gz ZOQJPPHROIBNOC-NEPJUHHUSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099635555 782826085 /nfs/dbraw/zinc/82/60/85/782826085.db2.gz GCZINROVTBEIGM-OLZOCXBDSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099705046 782828913 /nfs/dbraw/zinc/82/89/13/782828913.db2.gz UUAKVXPNFVEJRB-GHMZBOCLSA-N 1 0 283.328 -1.083 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099705049 782830281 /nfs/dbraw/zinc/83/02/81/782830281.db2.gz UUAKVXPNFVEJRB-WDEREUQCSA-N 1 0 283.328 -1.083 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099738751 782832065 /nfs/dbraw/zinc/83/20/65/782832065.db2.gz SEZKGTNUCTYLJI-MNOVXSKESA-N 1 0 258.318 -1.267 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758220 782833445 /nfs/dbraw/zinc/83/34/45/782833445.db2.gz PNLAZBHCEXWRTO-VHSXEESVSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757620 782834406 /nfs/dbraw/zinc/83/44/06/782834406.db2.gz HKUNFBMRPBUOOK-UWVGGRQHSA-N 1 0 253.302 -1.564 20 30 CAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760825 782834636 /nfs/dbraw/zinc/83/46/36/782834636.db2.gz ORYVCCLIGHPHHP-NXEZZACHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099789786 782834975 /nfs/dbraw/zinc/83/49/75/782834975.db2.gz RUHLGDSZNLBZFY-GHMZBOCLSA-N 1 0 283.328 -2.330 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC)C[C@H]1O ZINC001099788569 782835119 /nfs/dbraw/zinc/83/51/19/782835119.db2.gz GWGHTBBGZYBRMB-WDEREUQCSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099835104 782840130 /nfs/dbraw/zinc/84/01/30/782840130.db2.gz CETXMOWYNPBSAS-QWHCGFSZSA-N 1 0 284.356 -1.040 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CC(=O)NCC#C)[C@H](O)C1 ZINC001099790088 782835373 /nfs/dbraw/zinc/83/53/73/782835373.db2.gz WZZQOAMJNTUNMH-QWHCGFSZSA-N 1 0 291.351 -1.299 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099788132 782836074 /nfs/dbraw/zinc/83/60/74/782836074.db2.gz BSABGTGWJKHMRH-NWDGAFQWSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CC(=O)NCC#C)[C@@H](O)C1 ZINC001099790089 782836307 /nfs/dbraw/zinc/83/63/07/782836307.db2.gz WZZQOAMJNTUNMH-STQMWFEESA-N 1 0 291.351 -1.299 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC=C)C[C@@H]1O ZINC001099789612 782836409 /nfs/dbraw/zinc/83/64/09/782836409.db2.gz OYKBKZNNUUSRNB-RYUDHWBXSA-N 1 0 279.340 -1.137 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@H]1O ZINC001099788566 782836585 /nfs/dbraw/zinc/83/65/85/782836585.db2.gz GWGHTBBGZYBRMB-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC=C)C[C@@H]1O ZINC001099789610 782836602 /nfs/dbraw/zinc/83/66/02/782836602.db2.gz OYKBKZNNUUSRNB-NEPJUHHUSA-N 1 0 279.340 -1.137 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CC(=O)NCC#C)[C@@H](O)C1 ZINC001099790087 782836693 /nfs/dbraw/zinc/83/66/93/782836693.db2.gz WZZQOAMJNTUNMH-OLZOCXBDSA-N 1 0 291.351 -1.299 20 30 CAEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791978 782837834 /nfs/dbraw/zinc/83/78/34/782837834.db2.gz NJTTXSSDDBPOCK-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO CC#CC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791981 782838272 /nfs/dbraw/zinc/83/82/72/782838272.db2.gz NJTTXSSDDBPOCK-WDEREUQCSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791736 782838388 /nfs/dbraw/zinc/83/83/88/782838388.db2.gz JVUQOANYGFUMGT-QWRGUYRKSA-N 1 0 267.329 -1.303 20 30 CAEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099812941 782839626 /nfs/dbraw/zinc/83/96/26/782839626.db2.gz IKOANFQCNZTBNQ-VXGBXAGGSA-N 1 0 296.371 -1.120 20 30 CAEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099812934 782839993 /nfs/dbraw/zinc/83/99/93/782839993.db2.gz IKOANFQCNZTBNQ-NEPJUHHUSA-N 1 0 296.371 -1.120 20 30 CAEDRO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099826278 782840111 /nfs/dbraw/zinc/84/01/11/782840111.db2.gz IVIVTEXNRHWPDS-RYUDHWBXSA-N 1 0 252.314 -1.057 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099864479 782841381 /nfs/dbraw/zinc/84/13/81/782841381.db2.gz SMRFXSVGHRBKQM-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099864478 782841978 /nfs/dbraw/zinc/84/19/78/782841978.db2.gz SMRFXSVGHRBKQM-RYUDHWBXSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099975876 782846152 /nfs/dbraw/zinc/84/61/52/782846152.db2.gz IIXNGDZTHJANTI-NXEZZACHSA-N 1 0 267.329 -1.011 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100104321 782850568 /nfs/dbraw/zinc/85/05/68/782850568.db2.gz ZREJHAXDKTYOFR-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O ZINC001100074833 782851043 /nfs/dbraw/zinc/85/10/43/782851043.db2.gz UBZNILPQIGKGPT-RYUDHWBXSA-N 1 0 284.360 -1.360 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100104897 782851317 /nfs/dbraw/zinc/85/13/17/782851317.db2.gz BDLKSHRTZKLIDX-QWRGUYRKSA-N 1 0 282.344 -1.381 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100104895 782852102 /nfs/dbraw/zinc/85/21/02/782852102.db2.gz BDLKSHRTZKLIDX-GHMZBOCLSA-N 1 0 282.344 -1.381 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106213 782852361 /nfs/dbraw/zinc/85/23/61/782852361.db2.gz QTRRAZWNFPXTNK-WDEREUQCSA-N 1 0 282.344 -1.381 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100263820 782854193 /nfs/dbraw/zinc/85/41/93/782854193.db2.gz JHUSPRMAHCXRFV-UHFFFAOYSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC(N)=O)C1 ZINC001100208891 782854214 /nfs/dbraw/zinc/85/42/14/782854214.db2.gz JSKXQTMOXIMKCB-UHFFFAOYSA-N 1 0 282.344 -1.352 20 30 CAEDRO C=CCOCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100186817 782854680 /nfs/dbraw/zinc/85/46/80/782854680.db2.gz MQQBXFSPHAWSQY-UHFFFAOYSA-N 1 0 298.343 -1.132 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100191682 782854726 /nfs/dbraw/zinc/85/47/26/782854726.db2.gz TWJYLWYPDFCTAM-UEJVZZJDSA-N 1 0 281.316 -1.175 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC(N)=O)C1 ZINC001100208974 782854859 /nfs/dbraw/zinc/85/48/59/782854859.db2.gz NGBPKYXGQBYMHM-UHFFFAOYSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]C[C@H](C)O)C1 ZINC001100263123 782854900 /nfs/dbraw/zinc/85/49/00/782854900.db2.gz WTJXKWJUVMRIIM-UNXYVOJBSA-N 1 0 281.356 -1.009 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001100346271 782857142 /nfs/dbraw/zinc/85/71/42/782857142.db2.gz YNCCUNSOHQIHMZ-UHFFFAOYSA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CCOCCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100324974 782857401 /nfs/dbraw/zinc/85/74/01/782857401.db2.gz NHCJRJSNOBCPBW-UHFFFAOYSA-N 1 0 267.329 -1.004 20 30 CAEDRO COCC#CC[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100627758 782860658 /nfs/dbraw/zinc/86/06/58/782860658.db2.gz OTNDIBYGCVMPJD-UHFFFAOYSA-N 1 0 253.302 -1.394 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001100466911 782857785 /nfs/dbraw/zinc/85/77/85/782857785.db2.gz ZSVQKUTWXUVBRA-UHFFFAOYSA-N 1 0 277.328 -1.301 20 30 CAEDRO COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001100618521 782859554 /nfs/dbraw/zinc/85/95/54/782859554.db2.gz LVLRAFFZSNGGEW-HTAVTVPLSA-N 1 0 294.355 -1.198 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100632753 782859992 /nfs/dbraw/zinc/85/99/92/782859992.db2.gz OLMQCMWXEYHBQX-UHFFFAOYSA-N 1 0 267.289 -2.404 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628292 782860079 /nfs/dbraw/zinc/86/00/79/782860079.db2.gz BYPLHPYXLLOPPM-IDKOKCKLSA-N 1 0 280.328 -1.906 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628293 782860092 /nfs/dbraw/zinc/86/00/92/782860092.db2.gz BYPLHPYXLLOPPM-XNWIYYODSA-N 1 0 280.328 -1.906 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001100768262 782861829 /nfs/dbraw/zinc/86/18/29/782861829.db2.gz YZDRBUDABZIZFQ-UHFFFAOYSA-N 1 0 291.315 -1.458 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2cnon2)C1 ZINC001100770534 782862240 /nfs/dbraw/zinc/86/22/40/782862240.db2.gz HVIJRBISBXCJMQ-UHFFFAOYSA-N 1 0 292.299 -1.193 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001100930081 782862662 /nfs/dbraw/zinc/86/26/62/782862662.db2.gz KYJQNZCCPLHLNG-UHFFFAOYSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101345962 782864380 /nfs/dbraw/zinc/86/43/80/782864380.db2.gz PHQYVWWJKQIJRK-YGRLFVJLSA-N 1 0 292.339 -1.999 20 30 CAEDRO COCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001101656157 782865632 /nfs/dbraw/zinc/86/56/32/782865632.db2.gz PAUDDMSENQEKPB-GHMZBOCLSA-N 1 0 282.344 -1.043 20 30 CAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C(N)=O ZINC001102309273 782870101 /nfs/dbraw/zinc/87/01/01/782870101.db2.gz RHLDYICHXRZRTO-RKDXNWHRSA-N 1 0 281.316 -2.204 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102108387 782870257 /nfs/dbraw/zinc/87/02/57/782870257.db2.gz KEPMEHFSCROPKR-VXGBXAGGSA-N 1 0 291.355 -1.101 20 30 CAEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C(N)=O ZINC001103391577 782874717 /nfs/dbraw/zinc/87/47/17/782874717.db2.gz MOXCUKAAQWFPRY-NXEZZACHSA-N 1 0 295.343 -1.814 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141963 782879827 /nfs/dbraw/zinc/87/98/27/782879827.db2.gz LNQAFVAXGRBMJD-KZVDOYCCSA-N 1 0 291.351 -1.039 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)CC ZINC001115049850 782879058 /nfs/dbraw/zinc/87/90/58/782879058.db2.gz NOPZXNAJSJFDFR-PJXYFTJBSA-N 1 0 299.396 -1.053 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188493 782879158 /nfs/dbraw/zinc/87/91/58/782879158.db2.gz LTSWDXBYKRNPJF-PJXYFTJBSA-N 1 0 299.396 -1.053 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115216308 782881019 /nfs/dbraw/zinc/88/10/19/782881019.db2.gz GNKTWAYUYSMACD-JZYVYDRUSA-N 1 0 250.302 -1.276 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCCCC1 ZINC001115704912 782882832 /nfs/dbraw/zinc/88/28/32/782882832.db2.gz CMUKLHRDRNVKBS-UHFFFAOYSA-N 1 0 295.343 -1.480 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC001116053604 782886584 /nfs/dbraw/zinc/88/65/84/782886584.db2.gz QSXUVSIPGFBSOJ-UHFFFAOYSA-N 1 0 292.339 -1.000 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)NCCO)CC1 ZINC001116283554 782892015 /nfs/dbraw/zinc/89/20/15/782892015.db2.gz CYLBMUPHKXRDDE-UHFFFAOYSA-N 1 0 267.329 -1.444 20 30 CAEDRO N#CCN1CCN(CCCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001266269744 775102978 /nfs/dbraw/zinc/10/29/78/775102978.db2.gz OUQBUMKNNJBFSJ-GFCCVEGCSA-N 1 0 293.371 -1.230 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)CCNC(=O)NC ZINC001266271975 775103063 /nfs/dbraw/zinc/10/30/63/775103063.db2.gz OXKNFCSHWXZSRQ-UHFFFAOYSA-N 1 0 297.359 -1.897 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCN(C)[C@H]1CCC(=O)NC1=O ZINC001266275382 775103183 /nfs/dbraw/zinc/10/31/83/775103183.db2.gz XRWJJVSDRBHMCK-QWRGUYRKSA-N 1 0 295.339 -1.122 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)Cc1nnc(C)o1 ZINC001266272530 775103533 /nfs/dbraw/zinc/10/35/33/775103533.db2.gz XRAHSBTUEXDBLN-UHFFFAOYSA-N 1 0 293.327 -1.282 20 30 CAEDRO C=CC[NH+]1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001266281078 775104338 /nfs/dbraw/zinc/10/43/38/775104338.db2.gz DVUCDHHSLWKITN-UHFFFAOYSA-N 1 0 254.334 -1.218 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125291563 775107393 /nfs/dbraw/zinc/10/73/93/775107393.db2.gz LEUXFWBFSPGGEB-UHFFFAOYSA-N 1 0 277.284 -1.254 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125297164 775108425 /nfs/dbraw/zinc/10/84/25/775108425.db2.gz QGSHDXKSLIWNCQ-UHFFFAOYSA-N 1 0 276.296 -1.144 20 30 CAEDRO C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001266292915 775108514 /nfs/dbraw/zinc/10/85/14/775108514.db2.gz ZSZXGAZOMBIDEI-NSHDSACASA-N 1 0 281.360 -1.412 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001266291109 775109074 /nfs/dbraw/zinc/10/90/74/775109074.db2.gz VRIFXEFQMSQZOS-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266332969 775117833 /nfs/dbraw/zinc/11/78/33/775117833.db2.gz DRJJKLCAFPPDRR-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CCC[N@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266356305 775122852 /nfs/dbraw/zinc/12/28/52/775122852.db2.gz AEEPVKWHNBTFPE-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266356704 775123849 /nfs/dbraw/zinc/12/38/49/775123849.db2.gz GVYMOANHNWMQSW-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001279393319 775127109 /nfs/dbraw/zinc/12/71/09/775127109.db2.gz QQUOAEAFKBQVRK-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)CS(C)(=O)=O ZINC001279393434 775127300 /nfs/dbraw/zinc/12/73/00/775127300.db2.gz SJRJORHSUXMBAR-UHFFFAOYSA-N 1 0 276.358 -1.271 20 30 CAEDRO CC#CC[N@H+](CC)CCNC(=O)CNS(=O)(=O)NC ZINC001266406034 775127688 /nfs/dbraw/zinc/12/76/88/775127688.db2.gz QXXLXFFAZLIYJV-UHFFFAOYSA-N 1 0 290.389 -1.498 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)NC(C)=O ZINC001167177690 775129403 /nfs/dbraw/zinc/12/94/03/775129403.db2.gz ZSLVWHJZCOQUOG-LBPRGKRZSA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001266432074 775131690 /nfs/dbraw/zinc/13/16/90/775131690.db2.gz WCYUXTZNBOELHH-VHSXEESVSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001266444593 775132959 /nfs/dbraw/zinc/13/29/59/775132959.db2.gz AJGCQOGNTDMZLN-SNVBAGLBSA-N 1 0 290.327 -1.505 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccnnc1 ZINC001167283337 775137814 /nfs/dbraw/zinc/13/78/14/775137814.db2.gz CXSKEYHVGLZYBS-UHFFFAOYSA-N 1 0 276.300 -1.174 20 30 CAEDRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125370655 775137863 /nfs/dbraw/zinc/13/78/63/775137863.db2.gz QPAKLRPMTIVUJP-UHFFFAOYSA-N 1 0 299.356 -1.245 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001266514188 775139326 /nfs/dbraw/zinc/13/93/26/775139326.db2.gz NIANWTZZNPXNQR-MNOVXSKESA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001266514190 775139708 /nfs/dbraw/zinc/13/97/08/775139708.db2.gz NIANWTZZNPXNQR-WDEREUQCSA-N 1 0 267.329 -1.052 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001266507470 775139742 /nfs/dbraw/zinc/13/97/42/775139742.db2.gz YJRPITWARGRBDG-NSHDSACASA-N 1 0 278.316 -1.487 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001266516531 775139834 /nfs/dbraw/zinc/13/98/34/775139834.db2.gz CESHDNAWOMQQAU-NSHDSACASA-N 1 0 290.327 -1.218 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125391077 775141118 /nfs/dbraw/zinc/14/11/18/775141118.db2.gz QUMAGMSWUHVKHE-UHFFFAOYSA-N 1 0 274.284 -1.154 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266527362 775141565 /nfs/dbraw/zinc/14/15/65/775141565.db2.gz PXLRCSXCDKSIRF-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001167323497 775142427 /nfs/dbraw/zinc/14/24/27/775142427.db2.gz BXIICXXXJIYMCC-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001266540908 775142468 /nfs/dbraw/zinc/14/24/68/775142468.db2.gz OQLHPJPASAPMHV-JTQLQIEISA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001266535763 775143003 /nfs/dbraw/zinc/14/30/03/775143003.db2.gz BASXBNJDWJGOGW-VIFPVBQESA-N 1 0 276.300 -1.642 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001167323496 775143013 /nfs/dbraw/zinc/14/30/13/775143013.db2.gz BXIICXXXJIYMCC-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001266551852 775144682 /nfs/dbraw/zinc/14/46/82/775144682.db2.gz BNWLECVURPTIRE-NSHDSACASA-N 1 0 288.311 -1.080 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125414991 775146097 /nfs/dbraw/zinc/14/60/97/775146097.db2.gz ZJXLBWMRHSLMSC-UHFFFAOYSA-N 1 0 278.316 -1.808 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125419587 775146229 /nfs/dbraw/zinc/14/62/29/775146229.db2.gz MIOFCTJAOULAMD-UHFFFAOYSA-N 1 0 279.304 -1.917 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001266578448 775146898 /nfs/dbraw/zinc/14/68/98/775146898.db2.gz WCCDMBDUIMFAJX-SRVKXCTJSA-N 1 0 295.339 -1.612 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125420010 775147145 /nfs/dbraw/zinc/14/71/45/775147145.db2.gz XDRINDIOFKWDKF-JTQLQIEISA-N 1 0 292.343 -1.419 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001266593724 775148345 /nfs/dbraw/zinc/14/83/45/775148345.db2.gz UAGXWLPQYJKTBE-OPRDCNLKSA-N 1 0 296.327 -1.544 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001266591389 775149597 /nfs/dbraw/zinc/14/95/97/775149597.db2.gz JPAAJCORNUQEDB-ZYUZMQFOSA-N 1 0 295.299 -1.472 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)NC)C1 ZINC001266598587 775150887 /nfs/dbraw/zinc/15/08/87/775150887.db2.gz VKMZTLOULJCIEB-MGCOHNPYSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C1CC1 ZINC001266600357 775151263 /nfs/dbraw/zinc/15/12/63/775151263.db2.gz RIHNMMFMTAGCLC-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167399583 775152193 /nfs/dbraw/zinc/15/21/93/775152193.db2.gz PKTUVXCMTWUQGD-QMMMGPOBSA-N 1 0 254.290 -1.134 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421781 775155117 /nfs/dbraw/zinc/15/51/17/775155117.db2.gz GKNRFWBIMARDIK-UHFFFAOYSA-N 1 0 278.378 -1.336 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167399635 775152993 /nfs/dbraw/zinc/15/29/93/775152993.db2.gz RVOAOPWGFJSNMH-QMMMGPOBSA-N 1 0 252.274 -1.686 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001266620364 775155272 /nfs/dbraw/zinc/15/52/72/775155272.db2.gz UTMKPMKUGQKRDT-KKOKHZNYSA-N 1 0 279.340 -1.006 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nonc2C)C1 ZINC001266641673 775156745 /nfs/dbraw/zinc/15/67/45/775156745.db2.gz LRAMNCIBNXIROL-MGCOHNPYSA-N 1 0 291.311 -1.022 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 ZINC001266636082 775156835 /nfs/dbraw/zinc/15/68/35/775156835.db2.gz ARAJXFWBTYFYIO-MGCOHNPYSA-N 1 0 295.343 -1.969 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCOC1 ZINC001266654417 775156974 /nfs/dbraw/zinc/15/69/74/775156974.db2.gz CPYFWOWGOPTUBW-SNVBAGLBSA-N 1 0 268.317 -1.289 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266662045 775158628 /nfs/dbraw/zinc/15/86/28/775158628.db2.gz JSBACNOBOYSLFU-VIFPVBQESA-N 1 0 251.290 -1.166 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CN(C)CCO1 ZINC001266666705 775158642 /nfs/dbraw/zinc/15/86/42/775158642.db2.gz AJIGCDROKRATSQ-LLVKDONJSA-N 1 0 297.359 -1.995 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1nnn(C)c1C ZINC001266667375 775158671 /nfs/dbraw/zinc/15/86/71/775158671.db2.gz WTFSORXZCUFKMJ-UHFFFAOYSA-N 1 0 292.343 -1.465 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cccn2)C1 ZINC001266668392 775158684 /nfs/dbraw/zinc/15/86/84/775158684.db2.gz VRGIBIWYSNRCIY-PHIMTYICSA-N 1 0 290.327 -1.240 20 30 CAEDRO N#CCSCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001266668512 775158769 /nfs/dbraw/zinc/15/87/69/775158769.db2.gz XHGUFRDMGJVHOQ-OCAPTIKFSA-N 1 0 256.331 -1.035 20 30 CAEDRO C=CCOCC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001266657010 775158913 /nfs/dbraw/zinc/15/89/13/775158913.db2.gz LDBHRSGNFVSUGB-UHFFFAOYSA-N 1 0 272.305 -1.568 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)C#N ZINC001266660435 775159091 /nfs/dbraw/zinc/15/90/91/775159091.db2.gz OEJXFEHXDNMQQM-QMMMGPOBSA-N 1 0 269.305 -1.350 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(C)=O)C1 ZINC001266661999 775159618 /nfs/dbraw/zinc/15/96/18/775159618.db2.gz BWMHQJSTSBCXIG-PHIMTYICSA-N 1 0 282.344 -1.339 20 30 CAEDRO CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266664941 775159656 /nfs/dbraw/zinc/15/96/56/775159656.db2.gz ABVZZBDMTMBHKE-AOOOYVTPSA-N 1 0 268.317 -1.101 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266683035 775161991 /nfs/dbraw/zinc/16/19/91/775161991.db2.gz FNKPCJDSHLSPDA-UTUOFQBUSA-N 1 0 292.339 -1.099 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001266705884 775163052 /nfs/dbraw/zinc/16/30/52/775163052.db2.gz VJVWPYPQJWGORN-AOOOYVTPSA-N 1 0 278.316 -1.290 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1ccn(C)n1 ZINC001266696936 775163662 /nfs/dbraw/zinc/16/36/62/775163662.db2.gz XTDPLRFUSJMIPG-UHFFFAOYSA-N 1 0 292.343 -1.350 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001266710962 775164967 /nfs/dbraw/zinc/16/49/67/775164967.db2.gz HCWDPIIZHUVJIO-PHIMTYICSA-N 1 0 294.355 -1.091 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCNC1=O ZINC001266733649 775166368 /nfs/dbraw/zinc/16/63/68/775166368.db2.gz YHDKBFAUFVIFOC-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001266719066 775167152 /nfs/dbraw/zinc/16/71/52/775167152.db2.gz OQHAPVIPHMPVNG-AOOOYVTPSA-N 1 0 292.343 -1.032 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001266760500 775168896 /nfs/dbraw/zinc/16/88/96/775168896.db2.gz HKJPPPVNKUHWTR-SNVBAGLBSA-N 1 0 280.328 -1.951 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001266804986 775173590 /nfs/dbraw/zinc/17/35/90/775173590.db2.gz SHNXGGPOUPAVSF-SNVBAGLBSA-N 1 0 282.344 -1.398 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CCc1cn[nH]n1 ZINC001266838977 775176794 /nfs/dbraw/zinc/17/67/94/775176794.db2.gz GLJNJOKCBSUQHI-UHFFFAOYSA-N 1 0 293.331 -1.575 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cnn(C)n1 ZINC001266888633 775179550 /nfs/dbraw/zinc/17/95/50/775179550.db2.gz UQDPNDOLQYIDMM-SNVBAGLBSA-N 1 0 292.343 -1.385 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556279 775180584 /nfs/dbraw/zinc/18/05/84/775180584.db2.gz PYLJSHAJNBQPFT-UHFFFAOYSA-N 1 0 296.371 -1.037 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(N)=O)C1 ZINC001266894664 775181486 /nfs/dbraw/zinc/18/14/86/775181486.db2.gz JEGASJBDVDAPRN-QWRGUYRKSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(C)[nH]n1 ZINC001125547382 775182313 /nfs/dbraw/zinc/18/23/13/775182313.db2.gz XOOMBPHWPNVYIQ-UHFFFAOYSA-N 1 0 277.328 -1.284 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266900213 775182620 /nfs/dbraw/zinc/18/26/20/775182620.db2.gz REJRMHMZEGZREG-GPTQDWHKSA-N 1 0 290.323 -1.002 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)CNC(=O)OC ZINC001266926408 775183415 /nfs/dbraw/zinc/18/34/15/775183415.db2.gz NVPPPJKARCRWTM-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cnnn1 ZINC001266922621 775183452 /nfs/dbraw/zinc/18/34/52/775183452.db2.gz QTUOJZHTHRXRPH-VIFPVBQESA-N 1 0 279.304 -2.483 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cnnn1 ZINC001266921151 775183509 /nfs/dbraw/zinc/18/35/09/775183509.db2.gz DXVXNTRJSOTSNP-SECBINFHSA-N 1 0 281.320 -1.930 20 30 CAEDRO CCC(=O)NCC(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266927885 775183528 /nfs/dbraw/zinc/18/35/28/775183528.db2.gz MUNNWBVQUPQWBH-VIFPVBQESA-N 1 0 283.332 -1.753 20 30 CAEDRO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001266928542 775184617 /nfs/dbraw/zinc/18/46/17/775184617.db2.gz VBFBTRBICWMUPW-DTWKUNHWSA-N 1 0 281.316 -2.001 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CNC(C)=O ZINC001266920366 775184913 /nfs/dbraw/zinc/18/49/13/775184913.db2.gz VAMLWEVDIUFXCA-SECBINFHSA-N 1 0 268.317 -2.034 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)Cn1cnnn1 ZINC001266922629 775184944 /nfs/dbraw/zinc/18/49/44/775184944.db2.gz QXPWTORYROCZLG-SNVBAGLBSA-N 1 0 266.305 -1.583 20 30 CAEDRO C[C@H](CNC(=O)C[C@H]1COC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001266932580 775185774 /nfs/dbraw/zinc/18/57/74/775185774.db2.gz HOLOPPUTAWXGSV-NXEZZACHSA-N 1 0 296.327 -1.326 20 30 CAEDRO C[C@@H](CNC(=O)c1cn(C)cn1)[NH2+]CC(=O)NCC#N ZINC001266932929 775186014 /nfs/dbraw/zinc/18/60/14/775186014.db2.gz JZWLGPVCWGXOMF-VIFPVBQESA-N 1 0 278.316 -1.232 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1ncnn1 ZINC001266939481 775186263 /nfs/dbraw/zinc/18/62/63/775186263.db2.gz JBOLHCDEDVYPKV-UWVGGRQHSA-N 1 0 293.331 -2.095 20 30 CAEDRO CCn1ncc(C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001266935937 775186568 /nfs/dbraw/zinc/18/65/68/775186568.db2.gz ORMPHVOVDVDLIR-VIFPVBQESA-N 1 0 293.331 -1.354 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1ncn(C)n1 ZINC001266936884 775186719 /nfs/dbraw/zinc/18/67/19/775186719.db2.gz YNVNQMZDJIXCOU-SECBINFHSA-N 1 0 278.316 -1.728 20 30 CAEDRO C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)[NH2+]CC(=O)NCC#N ZINC001266948214 775187253 /nfs/dbraw/zinc/18/72/53/775187253.db2.gz HLICAHJPJWGIBD-UWVGGRQHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]CC(=O)NCC#N ZINC001266962159 775188275 /nfs/dbraw/zinc/18/82/75/775188275.db2.gz OUUXOUMSVOBHLY-DTWKUNHWSA-N 1 0 283.332 -1.768 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001266949452 775188490 /nfs/dbraw/zinc/18/84/90/775188490.db2.gz OTVOMSQMSQTRKV-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@H](CNC(=O)[C@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001266971372 775189448 /nfs/dbraw/zinc/18/94/48/775189448.db2.gz LURMIBQSNJROEH-NOZJJQNGSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@H](CNC(=O)[C@H](C)CC(N)=O)[NH2+]CC(=O)NCC#N ZINC001266962162 775190020 /nfs/dbraw/zinc/19/00/20/775190020.db2.gz OUUXOUMSVOBHLY-RKDXNWHRSA-N 1 0 283.332 -1.768 20 30 CAEDRO C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CC(=O)NCC#N ZINC001266964302 775190111 /nfs/dbraw/zinc/19/01/11/775190111.db2.gz LYPOTZBPTQQXDA-NXEZZACHSA-N 1 0 295.343 -1.801 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C(N)=O ZINC001266966709 775190140 /nfs/dbraw/zinc/19/01/40/775190140.db2.gz AYHRWYOUWJGJQV-SFYZADRCSA-N 1 0 254.290 -2.296 20 30 CAEDRO C[C@@H](CNC(=O)c1cnon1)[NH2+]CC(=O)NCC#N ZINC001266980305 775190843 /nfs/dbraw/zinc/19/08/43/775190843.db2.gz QPNOWPKOPIDBBI-ZETCQYMHSA-N 1 0 266.261 -1.583 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001266984106 775190945 /nfs/dbraw/zinc/19/09/45/775190945.db2.gz VGEOJJZKBMNASV-UWVGGRQHSA-N 1 0 292.343 -1.421 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001266989972 775191203 /nfs/dbraw/zinc/19/12/03/775191203.db2.gz KUBCGAJOYZSLPE-SECBINFHSA-N 1 0 265.317 -1.382 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266974689 775191286 /nfs/dbraw/zinc/19/12/86/775191286.db2.gz GWUFKJOPBMLXOI-QMMMGPOBSA-N 1 0 282.300 -1.313 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCn1cnnn1 ZINC001266981813 775191297 /nfs/dbraw/zinc/19/12/97/775191297.db2.gz RJBFINZERBFEOS-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001266984105 775191398 /nfs/dbraw/zinc/19/13/98/775191398.db2.gz VGEOJJZKBMNASV-NXEZZACHSA-N 1 0 292.343 -1.421 20 30 CAEDRO C[C@@H](CNC(=O)CCn1cnnn1)[NH2+]CC(=O)NCC#N ZINC001266981625 775191623 /nfs/dbraw/zinc/19/16/23/775191623.db2.gz NYHGZTJWHKLTJQ-VIFPVBQESA-N 1 0 294.319 -2.203 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1cncn1C ZINC001266989277 775191978 /nfs/dbraw/zinc/19/19/78/775191978.db2.gz WCOSYPIFCHUTNM-UHFFFAOYSA-N 1 0 292.343 -1.350 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001266978832 775192005 /nfs/dbraw/zinc/19/20/05/775192005.db2.gz BJXHRDAQSYXKPP-QMMMGPOBSA-N 1 0 264.289 -1.738 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)N1 ZINC001266999088 775193047 /nfs/dbraw/zinc/19/30/47/775193047.db2.gz JOAUXAAEFCEQHM-VIFPVBQESA-N 1 0 281.316 -2.047 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001266999753 775193079 /nfs/dbraw/zinc/19/30/79/775193079.db2.gz XDQBGSRQIKDOPB-JTQLQIEISA-N 1 0 282.344 -1.385 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001267009441 775193579 /nfs/dbraw/zinc/19/35/79/775193579.db2.gz DGDKEHDJCVHQDL-VIFPVBQESA-N 1 0 292.303 -2.497 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001266995118 775193692 /nfs/dbraw/zinc/19/36/92/775193692.db2.gz XEHNLCQCOBEEBA-QMMMGPOBSA-N 1 0 264.285 -1.173 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267006358 775193767 /nfs/dbraw/zinc/19/37/67/775193767.db2.gz IELHQQDLXXJRHG-UWVGGRQHSA-N 1 0 263.301 -1.024 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001267016557 775195477 /nfs/dbraw/zinc/19/54/77/775195477.db2.gz XHJRLIXOZLEJLV-VHSXEESVSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CCN1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001083232655 775195649 /nfs/dbraw/zinc/19/56/49/775195649.db2.gz LRXKJZHTOMIWJN-NWDGAFQWSA-N 1 0 290.327 -1.392 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001267040352 775196379 /nfs/dbraw/zinc/19/63/79/775196379.db2.gz CVIGMEHURUUUKT-GFCCVEGCSA-N 1 0 292.343 -1.239 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001267039420 775196832 /nfs/dbraw/zinc/19/68/32/775196832.db2.gz RLOATEMDBVGGRO-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001267044281 775197080 /nfs/dbraw/zinc/19/70/80/775197080.db2.gz QKHMVCZSCAAMSC-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001267044282 775197297 /nfs/dbraw/zinc/19/72/97/775197297.db2.gz QKHMVCZSCAAMSC-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CCNC(N)=O ZINC001267039954 775197400 /nfs/dbraw/zinc/19/74/00/775197400.db2.gz BOXVVMLUOOHODN-JTQLQIEISA-N 1 0 297.359 -1.769 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001267064432 775198011 /nfs/dbraw/zinc/19/80/11/775198011.db2.gz HFXSXGTYHGGNNS-LLVKDONJSA-N 1 0 292.339 -1.000 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267065895 775198149 /nfs/dbraw/zinc/19/81/49/775198149.db2.gz ABRWGGAQZQHNQN-NSHDSACASA-N 1 0 292.339 -1.000 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258768 775198746 /nfs/dbraw/zinc/19/87/46/775198746.db2.gz RXQKDLSFCWLGMS-SNVBAGLBSA-N 1 0 297.359 -1.463 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259108 775198776 /nfs/dbraw/zinc/19/87/76/775198776.db2.gz XFLVNTGNXROQBP-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167549072 775199640 /nfs/dbraw/zinc/19/96/40/775199640.db2.gz CVUYZXMVDPKTEN-UHFFFAOYSA-N 1 0 278.312 -1.573 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)OCCOC ZINC001167547356 775200045 /nfs/dbraw/zinc/20/00/45/775200045.db2.gz WIGDOYNTCDCION-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO COCC(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001267117023 775201747 /nfs/dbraw/zinc/20/17/47/775201747.db2.gz NVODQJXFEBISNG-VIFPVBQESA-N 1 0 256.306 -1.243 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001167567632 775202248 /nfs/dbraw/zinc/20/22/48/775202248.db2.gz IPDLNCLZODCIMG-UHFFFAOYSA-N 1 0 294.311 -1.474 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001167567576 775202273 /nfs/dbraw/zinc/20/22/73/775202273.db2.gz GHNPGBGMMYWDRB-UHFFFAOYSA-N 1 0 294.311 -1.474 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167553171 775202331 /nfs/dbraw/zinc/20/23/31/775202331.db2.gz WRKKNDNBAXNXOZ-UHFFFAOYSA-N 1 0 292.339 -1.183 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167552508 775202415 /nfs/dbraw/zinc/20/24/15/775202415.db2.gz NXWMWKKJLNPXSM-UHFFFAOYSA-N 1 0 292.339 -1.183 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCCO1 ZINC001267121880 775203824 /nfs/dbraw/zinc/20/38/24/775203824.db2.gz NBZIBTFWZLKGCE-RYUDHWBXSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1COCCO1 ZINC001267121877 775204467 /nfs/dbraw/zinc/20/44/67/775204467.db2.gz NBZIBTFWZLKGCE-NEPJUHHUSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1ncnn1 ZINC001267129354 775204484 /nfs/dbraw/zinc/20/44/84/775204484.db2.gz NYEUDLQSHJWRIG-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001267133362 775204595 /nfs/dbraw/zinc/20/45/95/775204595.db2.gz FBPGAUMHTKIHPT-JTQLQIEISA-N 1 0 265.317 -1.301 20 30 CAEDRO Cc1nn[nH]c1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001267139054 775204653 /nfs/dbraw/zinc/20/46/53/775204653.db2.gz DMQUOBDEUNOTJS-MRVPVSSYSA-N 1 0 293.331 -1.149 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001267152161 775205435 /nfs/dbraw/zinc/20/54/35/775205435.db2.gz IPCWPWKCRZUCKT-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C[C@@H](CCNC(=O)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001267144356 775205760 /nfs/dbraw/zinc/20/57/60/775205760.db2.gz XEWRPMJXCLUJNP-ZETCQYMHSA-N 1 0 255.278 -2.404 20 30 CAEDRO C[C@H](CCNC(=O)c1cnon1)[NH2+]CC(=O)NCC#N ZINC001267147658 775205928 /nfs/dbraw/zinc/20/59/28/775205928.db2.gz KZDGIWGQYYBIOQ-MRVPVSSYSA-N 1 0 280.288 -1.193 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125616002 775207193 /nfs/dbraw/zinc/20/71/93/775207193.db2.gz XQPKQZRCRJDGBC-JTQLQIEISA-N 1 0 282.344 -1.479 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001267185690 775208574 /nfs/dbraw/zinc/20/85/74/775208574.db2.gz RUXQGQXAMQTURT-UHFFFAOYSA-N 1 0 266.305 -1.629 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125625120 775208598 /nfs/dbraw/zinc/20/85/98/775208598.db2.gz OJAJAKYFYZBQIZ-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CC[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001267195598 775212623 /nfs/dbraw/zinc/21/26/23/775212623.db2.gz HAHISQHCUCEORK-UHFFFAOYSA-N 1 0 292.405 -1.041 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)CC ZINC001267199039 775212776 /nfs/dbraw/zinc/21/27/76/775212776.db2.gz HYHQIMMYINFSCS-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001267199142 775213798 /nfs/dbraw/zinc/21/37/98/775213798.db2.gz KNJSOLDVOUGQOQ-UHFFFAOYSA-N 1 0 292.339 -1.382 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CN1CCOCC1=O ZINC001267242202 775217777 /nfs/dbraw/zinc/21/77/77/775217777.db2.gz DJCPSMSGMLNUOG-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001267219179 775218790 /nfs/dbraw/zinc/21/87/90/775218790.db2.gz NVDVSOFNBGTFLY-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)CC ZINC001267224457 775218733 /nfs/dbraw/zinc/21/87/33/775218733.db2.gz DGWNSPWVVGLJQA-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)cn1 ZINC001125680557 775223298 /nfs/dbraw/zinc/22/32/98/775223298.db2.gz FSKSJIBHWAKTKQ-UHFFFAOYSA-N 1 0 263.301 -1.511 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125676034 775224042 /nfs/dbraw/zinc/22/40/42/775224042.db2.gz LYLJEZOGXGYFDA-SNVBAGLBSA-N 1 0 283.328 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125687788 775225119 /nfs/dbraw/zinc/22/51/19/775225119.db2.gz JQCAWSIRGRXHDM-JTQLQIEISA-N 1 0 281.312 -1.605 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)C1=COCCO1 ZINC001279648121 775229172 /nfs/dbraw/zinc/22/91/72/775229172.db2.gz RUNQZVDWXTVSOU-UHFFFAOYSA-N 1 0 298.339 -1.065 20 30 CAEDRO N#CCNC(=O)CN(CCNC(=O)CC(N)=O)C1CC1 ZINC001267322492 775230019 /nfs/dbraw/zinc/23/00/19/775230019.db2.gz DZTJGVGYPLZWPR-UHFFFAOYSA-N 1 0 281.316 -1.918 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cn[nH]c1 ZINC001267348459 775232028 /nfs/dbraw/zinc/23/20/28/775232028.db2.gz DEKPHDOCQQFWAU-UHFFFAOYSA-N 1 0 263.301 -1.179 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001267333748 775232047 /nfs/dbraw/zinc/23/20/47/775232047.db2.gz LRIWBEVUCWIKKP-JTQLQIEISA-N 1 0 278.312 -1.202 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cn[nH]c1 ZINC001279660668 775232452 /nfs/dbraw/zinc/23/24/52/775232452.db2.gz OETZNODNYDPUPH-UHFFFAOYSA-N 1 0 294.315 -1.926 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cccnc1 ZINC001125701528 775232808 /nfs/dbraw/zinc/23/28/08/775232808.db2.gz QQPXMQTZXPVUGZ-UHFFFAOYSA-N 1 0 275.312 -1.030 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)n1cncn1 ZINC001267364339 775234585 /nfs/dbraw/zinc/23/45/85/775234585.db2.gz AQZASYIOMHZUGC-NSHDSACASA-N 1 0 292.343 -1.364 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001267355069 775234706 /nfs/dbraw/zinc/23/47/06/775234706.db2.gz HCLZFCXQWZRHBG-ZETCQYMHSA-N 1 0 255.278 -1.611 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CNS(=O)(=O)CC ZINC001267379692 775235902 /nfs/dbraw/zinc/23/59/02/775235902.db2.gz CROPRJMBOAQLIP-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]CC(=O)NC ZINC001267372004 775236190 /nfs/dbraw/zinc/23/61/90/775236190.db2.gz CBKWJFMKQROKMJ-JTQLQIEISA-N 1 0 255.318 -1.181 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]CC(=O)NC ZINC001267372005 775236278 /nfs/dbraw/zinc/23/62/78/775236278.db2.gz CBKWJFMKQROKMJ-SNVBAGLBSA-N 1 0 255.318 -1.181 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCO1 ZINC001125716830 775236609 /nfs/dbraw/zinc/23/66/09/775236609.db2.gz GGRCRFHPCPECNR-SNVBAGLBSA-N 1 0 268.317 -1.099 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267372796 775236638 /nfs/dbraw/zinc/23/66/38/775236638.db2.gz YNOPTBZHQYDCIN-WDEREUQCSA-N 1 0 295.339 -1.122 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)OCC#C ZINC001267372821 775237074 /nfs/dbraw/zinc/23/70/74/775237074.db2.gz ZCTHWSFXQGVDGH-GFCCVEGCSA-N 1 0 279.340 -1.178 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CNC(=O)NC ZINC001267379461 775237491 /nfs/dbraw/zinc/23/74/91/775237491.db2.gz FGKYSXBJGYLOMJ-SNVBAGLBSA-N 1 0 297.359 -1.899 20 30 CAEDRO CNC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267380460 775238645 /nfs/dbraw/zinc/23/86/45/775238645.db2.gz XHYBXJMGDWYEGT-UHFFFAOYSA-N 1 0 284.320 -2.397 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H](C)C#N ZINC001279673070 775240326 /nfs/dbraw/zinc/24/03/26/775240326.db2.gz PLAWASMUZBSHGK-NEPJUHHUSA-N 1 0 294.355 -1.306 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001267415442 775242700 /nfs/dbraw/zinc/24/27/00/775242700.db2.gz KSTWVFBYHYONBG-NSHDSACASA-N 1 0 296.371 -1.043 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C(N)=O ZINC001267421667 775243178 /nfs/dbraw/zinc/24/31/78/775243178.db2.gz KUPSFLRDHYLQAM-MRVPVSSYSA-N 1 0 256.306 -1.790 20 30 CAEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[nH]1 ZINC001125776458 775244973 /nfs/dbraw/zinc/24/49/73/775244973.db2.gz OIZOEPPCGNJJMR-UHFFFAOYSA-N 1 0 278.272 -1.599 20 30 CAEDRO CCn1cc(C(=O)N(C)CC[NH2+]CC(=O)NCC#N)nn1 ZINC001267449134 775245155 /nfs/dbraw/zinc/24/51/55/775245155.db2.gz VCFRCDCTOLKGLI-UHFFFAOYSA-N 1 0 293.331 -1.401 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1nonc1C ZINC001267450395 775245854 /nfs/dbraw/zinc/24/58/54/775245854.db2.gz RAVYPPXKDGYYQM-UHFFFAOYSA-N 1 0 293.327 -1.282 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125776663 775247831 /nfs/dbraw/zinc/24/78/31/775247831.db2.gz UBJHMEJTNWXOQW-UHFFFAOYSA-N 1 0 292.299 -1.339 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267468895 775249363 /nfs/dbraw/zinc/24/93/63/775249363.db2.gz DZTQFQSTJQLLNB-LLVKDONJSA-N 1 0 281.360 -1.374 20 30 CAEDRO COC[C@@H](O)C[NH2+]CCN(CCO)C(=O)C#CC1CC1 ZINC001279711610 775258176 /nfs/dbraw/zinc/25/81/76/775258176.db2.gz QXKSEKSYTGNYNG-ZDUSSCGKSA-N 1 0 284.356 -1.182 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703683 775259793 /nfs/dbraw/zinc/25/97/93/775259793.db2.gz DZWQNEUZNXATSC-JTQLQIEISA-N 1 0 270.333 -1.352 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1[nH]ccc1C#N ZINC001218655924 775276384 /nfs/dbraw/zinc/27/63/84/775276384.db2.gz MZIJURRDCKZVMJ-XPUUQOCRSA-N 1 0 265.273 -1.351 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001283734380 775282331 /nfs/dbraw/zinc/28/23/31/775282331.db2.gz VGBZGZPMNFUKGK-SECBINFHSA-N 1 0 252.278 -2.237 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001283743275 775285882 /nfs/dbraw/zinc/28/58/82/775285882.db2.gz ACMVFUMTGZVIMR-VHSXEESVSA-N 1 0 255.318 -1.092 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001267686269 775285922 /nfs/dbraw/zinc/28/59/22/775285922.db2.gz OJYUCEHAZMMOQZ-UHFFFAOYSA-N 1 0 276.362 -1.726 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1=COCCC1 ZINC001283747619 775287289 /nfs/dbraw/zinc/28/72/89/775287289.db2.gz XBHWITXRGJLZAB-NSHDSACASA-N 1 0 296.327 -1.613 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283746693 775287351 /nfs/dbraw/zinc/28/73/51/775287351.db2.gz YNGGJPKCMNCNIL-RISCZKNCSA-N 1 0 299.371 -1.388 20 30 CAEDRO CC1(C)C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283746696 775287653 /nfs/dbraw/zinc/28/76/53/775287653.db2.gz YQHJQWAHDBLDLS-UWVGGRQHSA-N 1 0 282.344 -1.261 20 30 CAEDRO CC1(C)C[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283746698 775287907 /nfs/dbraw/zinc/28/79/07/775287907.db2.gz YQHJQWAHDBLDLS-ZJUUUORDSA-N 1 0 282.344 -1.261 20 30 CAEDRO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001283754867 775289584 /nfs/dbraw/zinc/28/95/84/775289584.db2.gz FAWALGKGXWFLAC-VXGBXAGGSA-N 1 0 272.345 -1.280 20 30 CAEDRO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001283754866 775290032 /nfs/dbraw/zinc/29/00/32/775290032.db2.gz FAWALGKGXWFLAC-NWDGAFQWSA-N 1 0 272.345 -1.280 20 30 CAEDRO C#CCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001219879545 775292188 /nfs/dbraw/zinc/29/21/88/775292188.db2.gz IEHDRFQZCGRMOW-VIFPVBQESA-N 1 0 255.318 -1.006 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220043330 775294378 /nfs/dbraw/zinc/29/43/78/775294378.db2.gz NXOSNPFHHKWQHF-UWVGGRQHSA-N 1 0 255.318 -1.092 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001220498146 775296082 /nfs/dbraw/zinc/29/60/82/775296082.db2.gz BYYXKNGBGJOXED-WDSKDSINSA-N 1 0 267.249 -2.359 20 30 CAEDRO C#CCN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149135966 775296820 /nfs/dbraw/zinc/29/68/20/775296820.db2.gz BOPZIYDTLCFBLX-LLVKDONJSA-N 1 0 278.316 -1.487 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267745984 775297501 /nfs/dbraw/zinc/29/75/01/775297501.db2.gz MYNBMHPFAFAMGZ-UHFFFAOYSA-N 1 0 296.371 -1.056 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001283815843 775301825 /nfs/dbraw/zinc/30/18/25/775301825.db2.gz GYGAWROSRSGCEG-SSDOTTSWSA-N 1 0 298.299 -1.237 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001267769379 775301960 /nfs/dbraw/zinc/30/19/60/775301960.db2.gz TWBDGLUSLHNEBG-GFCCVEGCSA-N 1 0 296.371 -1.043 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125889861 775302335 /nfs/dbraw/zinc/30/23/35/775302335.db2.gz FIFRRNBQTUUDHE-UHFFFAOYSA-N 1 0 283.332 -2.336 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1COC(=O)N1 ZINC001267800026 775303037 /nfs/dbraw/zinc/30/30/37/775303037.db2.gz QAKJKBDGYXTKEZ-ZJUUUORDSA-N 1 0 296.327 -1.671 20 30 CAEDRO CC[C@H](CNC(=O)[C@H](C)NC(C)=O)[NH2+]CC(=O)NCC#N ZINC001267793748 775303086 /nfs/dbraw/zinc/30/30/86/775303086.db2.gz PTEHWNXVURQLFI-GXSJLCMTSA-N 1 0 297.359 -1.365 20 30 CAEDRO CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)[NH2+]CC(=O)NCC#N ZINC001267793755 775303538 /nfs/dbraw/zinc/30/35/38/775303538.db2.gz PTEHWNXVURQLFI-MWLCHTKSSA-N 1 0 297.359 -1.365 20 30 CAEDRO CC[C@@H](CNC(=O)CN(C)C(C)=O)[NH2+]CC(=O)NCC#N ZINC001267795087 775303718 /nfs/dbraw/zinc/30/37/18/775303718.db2.gz BXLNJVFYYKSRBS-NSHDSACASA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1COC(=O)N1 ZINC001267800024 775304898 /nfs/dbraw/zinc/30/48/98/775304898.db2.gz QAKJKBDGYXTKEZ-UWVGGRQHSA-N 1 0 296.327 -1.671 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125897798 775306770 /nfs/dbraw/zinc/30/67/70/775306770.db2.gz STKHZVVNJFOUCK-GFCCVEGCSA-N 1 0 298.387 -1.285 20 30 CAEDRO C=CCN1CC[C@@H](N2C[C@@H](NC(C)=O)[C@@H](O)C2)C1=O ZINC001083296260 775306878 /nfs/dbraw/zinc/30/68/78/775306878.db2.gz HTAYIFHLUPUJDB-UTUOFQBUSA-N 1 0 267.329 -1.046 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001267826656 775308910 /nfs/dbraw/zinc/30/89/10/775308910.db2.gz BEXTUARXJZDRDS-QWRGUYRKSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125902382 775310581 /nfs/dbraw/zinc/31/05/81/775310581.db2.gz LTCLZYWOEPKDQT-UHFFFAOYSA-N 1 0 282.344 -2.226 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125926142 775315254 /nfs/dbraw/zinc/31/52/54/775315254.db2.gz ZTSYHHGHEKFAMK-SNVBAGLBSA-N 1 0 280.332 -1.153 20 30 CAEDRO C#CCC[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315648 775320467 /nfs/dbraw/zinc/32/04/67/775320467.db2.gz YUNLKQLJPPLRRM-UHFFFAOYSA-N 1 0 276.300 -1.740 20 30 CAEDRO C=CCC[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315387 775321313 /nfs/dbraw/zinc/32/13/13/775321313.db2.gz KUHUIFSLJLWICU-UHFFFAOYSA-N 1 0 278.316 -1.188 20 30 CAEDRO COC(=O)NCC(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001267984087 775323245 /nfs/dbraw/zinc/32/32/45/775323245.db2.gz UZYAESCQAADRLR-SECBINFHSA-N 1 0 299.331 -1.676 20 30 CAEDRO Cc1nn[nH]c1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001267997323 775324042 /nfs/dbraw/zinc/32/40/42/775324042.db2.gz CBPUYNXQWMVODD-QMMMGPOBSA-N 1 0 293.331 -1.292 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001267998770 775324860 /nfs/dbraw/zinc/32/48/60/775324860.db2.gz MBSOYXPXNRKEQR-WDEREUQCSA-N 1 0 294.355 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001267998766 775325433 /nfs/dbraw/zinc/32/54/33/775325433.db2.gz MBSOYXPXNRKEQR-GHMZBOCLSA-N 1 0 294.355 -1.786 20 30 CAEDRO C[C@@H](CNC(=O)[C@H]1CCNC1=O)C[NH2+]CC(=O)NCC#N ZINC001268000484 775326672 /nfs/dbraw/zinc/32/66/72/775326672.db2.gz ZPGCFDOWARVSLX-ZJUUUORDSA-N 1 0 295.343 -1.896 20 30 CAEDRO CN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125957105 775328793 /nfs/dbraw/zinc/32/87/93/775328793.db2.gz VNMWQCLGQVPWSS-SNVBAGLBSA-N 1 0 283.332 -2.337 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125961951 775330060 /nfs/dbraw/zinc/33/00/60/775330060.db2.gz ZGYRXPJWTFCFKQ-GFCCVEGCSA-N 1 0 269.345 -1.327 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001268007310 775330140 /nfs/dbraw/zinc/33/01/40/775330140.db2.gz AUORUJWVVACJML-SECBINFHSA-N 1 0 278.316 -1.490 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001268007315 775330360 /nfs/dbraw/zinc/33/03/60/775330360.db2.gz AUORUJWVVACJML-VIFPVBQESA-N 1 0 278.316 -1.490 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001125978635 775332248 /nfs/dbraw/zinc/33/22/48/775332248.db2.gz VVFOPFOAOXENHS-UHFFFAOYSA-N 1 0 296.371 -1.300 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001125977969 775332901 /nfs/dbraw/zinc/33/29/01/775332901.db2.gz IZDLLRJJCVMLEU-UHFFFAOYSA-N 1 0 277.328 -1.235 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001125978312 775332990 /nfs/dbraw/zinc/33/29/90/775332990.db2.gz NWBARDJIWXBPAY-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC=C ZINC001125978098 775333297 /nfs/dbraw/zinc/33/32/97/775333297.db2.gz LLGBYFKMWYEIEK-UHFFFAOYSA-N 1 0 280.328 -1.866 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001125981671 775334210 /nfs/dbraw/zinc/33/42/10/775334210.db2.gz FHAPEXLFWAFMIK-SECBINFHSA-N 1 0 266.301 -2.280 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001125982321 775334849 /nfs/dbraw/zinc/33/48/49/775334849.db2.gz WYHGGJMMDMJULS-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC#CCOC ZINC001125982042 775335011 /nfs/dbraw/zinc/33/50/11/775335011.db2.gz PTANCSKSDSWYDP-UHFFFAOYSA-N 1 0 265.313 -1.519 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001125981625 775335045 /nfs/dbraw/zinc/33/50/45/775335045.db2.gz CPNFVOKCDVWIQD-SNVBAGLBSA-N 1 0 271.317 -2.161 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001125982174 775335074 /nfs/dbraw/zinc/33/50/74/775335074.db2.gz RHDMRLOQBAFETB-VIFPVBQESA-N 1 0 294.311 -2.363 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCOC ZINC001125981828 775335111 /nfs/dbraw/zinc/33/51/11/775335111.db2.gz LYFFTIMPLIKLDV-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001125997909 775335506 /nfs/dbraw/zinc/33/55/06/775335506.db2.gz GRCBNUYLZPEIBA-SNVBAGLBSA-N 1 0 282.344 -1.692 20 30 CAEDRO C[C@@H]([NH2+]CCNC(=O)c1c[nH]c(C#N)c1)C(=O)NC(N)=O ZINC001125994414 775335547 /nfs/dbraw/zinc/33/55/47/775335547.db2.gz AVCHKIRCYIPQBS-SSDOTTSWSA-N 1 0 292.299 -1.211 20 30 CAEDRO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125995288 775335820 /nfs/dbraw/zinc/33/58/20/775335820.db2.gz ZDIQBSAQDPZAJW-UHFFFAOYSA-N 1 0 299.356 -1.245 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001125998098 775335849 /nfs/dbraw/zinc/33/58/49/775335849.db2.gz JXVPEQKGJZSDFJ-SNVBAGLBSA-N 1 0 280.328 -1.938 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)COC ZINC001125997707 775336014 /nfs/dbraw/zinc/33/60/14/775336014.db2.gz CXEYQJJARXJNRX-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001125998164 775336406 /nfs/dbraw/zinc/33/64/06/775336406.db2.gz LLJHTKFWCQGLRW-UHFFFAOYSA-N 1 0 277.328 -1.272 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)COC ZINC001125997709 775336446 /nfs/dbraw/zinc/33/64/46/775336446.db2.gz CXEYQJJARXJNRX-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001125998198 775336510 /nfs/dbraw/zinc/33/65/10/775336510.db2.gz MJLDZKKWAGZIQG-UHFFFAOYSA-N 1 0 294.355 -1.546 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001125997526 775337048 /nfs/dbraw/zinc/33/70/48/775337048.db2.gz AKJUOMCLOSKOFR-JTQLQIEISA-N 1 0 294.355 -1.501 20 30 CAEDRO CCNC(=O)CC(=O)NCC[NH2+]CC#CCOC ZINC001126002089 775338773 /nfs/dbraw/zinc/33/87/73/775338773.db2.gz DINJXCLHMGAOQL-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126015285 775340099 /nfs/dbraw/zinc/34/00/99/775340099.db2.gz CYBQPOKZEMVBAV-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO CNC(=O)CCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126012284 775340386 /nfs/dbraw/zinc/34/03/86/775340386.db2.gz YXKYSGURWLNFPP-UHFFFAOYSA-N 1 0 283.332 -1.752 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126027342 775341464 /nfs/dbraw/zinc/34/14/64/775341464.db2.gz PLJXYPPONZHIKK-UHFFFAOYSA-N 1 0 269.305 -1.108 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126028076 775343218 /nfs/dbraw/zinc/34/32/18/775343218.db2.gz XXVCJEAJRXUECQ-UHFFFAOYSA-N 1 0 267.289 -1.661 20 30 CAEDRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1N ZINC001126085959 775346387 /nfs/dbraw/zinc/34/63/87/775346387.db2.gz BAVDAYCLIXFCLE-UHFFFAOYSA-N 1 0 279.304 -2.039 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126086367 775346637 /nfs/dbraw/zinc/34/66/37/775346637.db2.gz JCRRASLKJXUPGS-UHFFFAOYSA-N 1 0 280.332 -1.376 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099470 775347529 /nfs/dbraw/zinc/34/75/29/775347529.db2.gz ORDBJVSXXGDEPK-UHFFFAOYSA-N 1 0 265.317 -1.029 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncnc1 ZINC001126094000 775348412 /nfs/dbraw/zinc/34/84/12/775348412.db2.gz ZUAXRYOGSOUBPF-UHFFFAOYSA-N 1 0 261.285 -1.455 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126114625 775351327 /nfs/dbraw/zinc/35/13/27/775351327.db2.gz NBNNQSZLYIKURR-UHFFFAOYSA-N 1 0 266.301 -1.321 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NC ZINC001126153404 775352458 /nfs/dbraw/zinc/35/24/58/775352458.db2.gz HZUCWIHGGPCWDZ-UHFFFAOYSA-N 1 0 256.306 -1.870 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(=O)NC ZINC001126161486 775354820 /nfs/dbraw/zinc/35/48/20/775354820.db2.gz NQGDZPYRAXDDGZ-UHFFFAOYSA-N 1 0 299.331 -2.160 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnn1CC ZINC001126184839 775357361 /nfs/dbraw/zinc/35/73/61/775357361.db2.gz QOLVEBZNPHAJBH-UHFFFAOYSA-N 1 0 277.328 -1.028 20 30 CAEDRO CCn1nccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126184704 775357500 /nfs/dbraw/zinc/35/75/00/775357500.db2.gz NKTVLCLQDIFWCW-UHFFFAOYSA-N 1 0 278.316 -1.138 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126195169 775358676 /nfs/dbraw/zinc/35/86/76/775358676.db2.gz PAFDOEFTQGPJAV-QMMMGPOBSA-N 1 0 269.305 -2.502 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1OCCCO1 ZINC001126227867 775366142 /nfs/dbraw/zinc/36/61/42/775366142.db2.gz LPIGNVATDZXMHD-LLVKDONJSA-N 1 0 297.355 -1.017 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CNC(C)=O ZINC001268048596 775368328 /nfs/dbraw/zinc/36/83/28/775368328.db2.gz AZUVYLXKTVIRSZ-JTQLQIEISA-N 1 0 284.360 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001268049847 775368525 /nfs/dbraw/zinc/36/85/25/775368525.db2.gz LOQRDJVTWVXRBS-QWRGUYRKSA-N 1 0 296.371 -1.303 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)N(C)C ZINC001167803257 775368884 /nfs/dbraw/zinc/36/88/84/775368884.db2.gz LAVIMELHXBHGHD-UHFFFAOYSA-N 1 0 284.360 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC(N)=O ZINC001268052944 775370570 /nfs/dbraw/zinc/37/05/70/775370570.db2.gz DDLDNDJATRSYRT-SECBINFHSA-N 1 0 268.317 -1.952 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126287314 775372038 /nfs/dbraw/zinc/37/20/38/775372038.db2.gz FVHCLMBDRFZKTB-UHFFFAOYSA-N 1 0 282.344 -1.527 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001268081264 775374784 /nfs/dbraw/zinc/37/47/84/775374784.db2.gz QPOUCSLHGVLZAF-BDAKNGLRSA-N 1 0 296.331 -2.256 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001268094926 775379215 /nfs/dbraw/zinc/37/92/15/775379215.db2.gz GECYYTPMRANUOZ-JTQLQIEISA-N 1 0 279.344 -1.040 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001268094927 775379257 /nfs/dbraw/zinc/37/92/57/775379257.db2.gz GECYYTPMRANUOZ-SNVBAGLBSA-N 1 0 279.344 -1.040 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1cncn1 ZINC001268096951 775379352 /nfs/dbraw/zinc/37/93/52/775379352.db2.gz WTSHTNLRPBQPJJ-SNVBAGLBSA-N 1 0 293.331 -1.646 20 30 CAEDRO CC(C)[C@H](CNC(=O)c1cn[nH]n1)[NH2+]CC(=O)NCC#N ZINC001268210307 775384153 /nfs/dbraw/zinc/38/41/53/775384153.db2.gz BTHWEDOLSDOWLF-VIFPVBQESA-N 1 0 293.331 -1.212 20 30 CAEDRO CC(C)[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]CC(=O)NCC#N ZINC001268210306 775384442 /nfs/dbraw/zinc/38/44/42/775384442.db2.gz BTHWEDOLSDOWLF-SECBINFHSA-N 1 0 293.331 -1.212 20 30 CAEDRO CN(CCN(C)C(=O)CC[NH+](C)C)CC(=O)NCC#N ZINC001268246940 775388612 /nfs/dbraw/zinc/38/86/12/775388612.db2.gz IMUOTEIRZHYBLH-UHFFFAOYSA-N 1 0 283.376 -1.032 20 30 CAEDRO C#CCNC(=O)CN(C)CCN(C)C(=O)CCNC(N)=O ZINC001268256983 775389334 /nfs/dbraw/zinc/38/93/34/775389334.db2.gz QPZIHNYQJRYJPA-UHFFFAOYSA-N 1 0 297.359 -1.816 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC1 ZINC001268293800 775391215 /nfs/dbraw/zinc/39/12/15/775391215.db2.gz IPNMCBMNJICWBX-SNVBAGLBSA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CC[N@@H+](C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001268260141 775391605 /nfs/dbraw/zinc/39/16/05/775391605.db2.gz UAEIBYJSEHQKMG-UHFFFAOYSA-N 1 0 280.332 -1.047 20 30 CAEDRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CSCC#N)C(N)=O ZINC001268296791 775392218 /nfs/dbraw/zinc/39/22/18/775392218.db2.gz CRVOIKSHXGCEPN-SFYZADRCSA-N 1 0 274.346 -1.816 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268297623 775392964 /nfs/dbraw/zinc/39/29/64/775392964.db2.gz KKTZHCKESXPNQT-UWVGGRQHSA-N 1 0 298.343 -2.285 20 30 CAEDRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CSCC#N)C(N)=O ZINC001268296785 775393408 /nfs/dbraw/zinc/39/34/08/775393408.db2.gz CRVOIKSHXGCEPN-HTQZYQBOSA-N 1 0 274.346 -1.816 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCCC(=O)NC ZINC001268304132 775393989 /nfs/dbraw/zinc/39/39/89/775393989.db2.gz LEXWBDJKWOPDHO-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCO)[nH]1 ZINC001268303375 775394945 /nfs/dbraw/zinc/39/49/45/775394945.db2.gz CVPJUSFMVJPLNW-SECBINFHSA-N 1 0 252.274 -1.441 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCCO)[nH]1 ZINC001268304803 775395041 /nfs/dbraw/zinc/39/50/41/775395041.db2.gz PPOAMGSZUABRCR-SNVBAGLBSA-N 1 0 266.301 -1.051 20 30 CAEDRO CC[C@H]([NH2+]C[C@H](O)CNC(=O)C#CC(C)C)C(N)=O ZINC001268305675 775395859 /nfs/dbraw/zinc/39/58/59/775395859.db2.gz SPNRSLUFLVZRDE-QWRGUYRKSA-N 1 0 269.345 -1.024 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001268303869 775396010 /nfs/dbraw/zinc/39/60/10/775396010.db2.gz DYZMUTMESNMRAZ-CHWSQXEVSA-N 1 0 293.367 -1.150 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001268307942 775396195 /nfs/dbraw/zinc/39/61/95/775396195.db2.gz LGJFJQUJLMNVAY-VIFPVBQESA-N 1 0 296.331 -1.980 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=CCOCC1 ZINC001268303776 775396299 /nfs/dbraw/zinc/39/62/99/775396299.db2.gz HVKPGHGSVLNVIB-LBPRGKRZSA-N 1 0 295.339 -1.851 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001268305693 775396416 /nfs/dbraw/zinc/39/64/16/775396416.db2.gz SRRXNEFVLKJVHY-HTQZYQBOSA-N 1 0 290.270 -1.652 20 30 CAEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)NC ZINC001268305586 775396472 /nfs/dbraw/zinc/39/64/72/775396472.db2.gz HYBFJDWKWCTZFP-SNVBAGLBSA-N 1 0 272.349 -1.052 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001268308266 775396765 /nfs/dbraw/zinc/39/67/65/775396765.db2.gz LGXDYGUQNXYWJK-BXUZGUMPSA-N 1 0 281.356 -1.007 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001268306294 775397642 /nfs/dbraw/zinc/39/76/42/775397642.db2.gz AHGHFNPLZGNHNV-SNVBAGLBSA-N 1 0 278.312 -1.516 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001268306068 775397668 /nfs/dbraw/zinc/39/76/68/775397668.db2.gz LDQBIDXDKIZDLG-NXEZZACHSA-N 1 0 253.302 -1.835 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001268306673 775397811 /nfs/dbraw/zinc/39/78/11/775397811.db2.gz XVNZAAFWLSZWBV-UWVGGRQHSA-N 1 0 298.343 -1.704 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001268312562 775397827 /nfs/dbraw/zinc/39/78/27/775397827.db2.gz YIXWHYOQPSOVGT-NXEZZACHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001268311525 775397847 /nfs/dbraw/zinc/39/78/47/775397847.db2.gz JZUVPWNLPVOGMA-VIFPVBQESA-N 1 0 264.285 -1.114 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001268306071 775397995 /nfs/dbraw/zinc/39/79/95/775397995.db2.gz LDQBIDXDKIZDLG-ZJUUUORDSA-N 1 0 253.302 -1.835 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001268306675 775398039 /nfs/dbraw/zinc/39/80/39/775398039.db2.gz XVNZAAFWLSZWBV-VHSXEESVSA-N 1 0 298.343 -1.704 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001268306285 775398056 /nfs/dbraw/zinc/39/80/56/775398056.db2.gz AHGHFNPLZGNHNV-JTQLQIEISA-N 1 0 278.312 -1.516 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001268306070 775398067 /nfs/dbraw/zinc/39/80/67/775398067.db2.gz LDQBIDXDKIZDLG-VHSXEESVSA-N 1 0 253.302 -1.835 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001268306665 775398164 /nfs/dbraw/zinc/39/81/64/775398164.db2.gz XVNZAAFWLSZWBV-NXEZZACHSA-N 1 0 298.343 -1.704 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268306028 775398181 /nfs/dbraw/zinc/39/81/81/775398181.db2.gz VLNUKIQMIFSEFN-WDEREUQCSA-N 1 0 293.323 -1.728 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncc(OC)cn1 ZINC001268312240 775398223 /nfs/dbraw/zinc/39/82/23/775398223.db2.gz CGTFIRWEQFQSRS-SECBINFHSA-N 1 0 264.285 -1.201 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001268311524 775398295 /nfs/dbraw/zinc/39/82/95/775398295.db2.gz JZUVPWNLPVOGMA-SECBINFHSA-N 1 0 264.285 -1.114 20 30 CAEDRO CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001268307776 775398442 /nfs/dbraw/zinc/39/84/42/775398442.db2.gz KGMHYLORJUWLPP-NWDGAFQWSA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268312836 775398505 /nfs/dbraw/zinc/39/85/05/775398505.db2.gz JXDVLJYRKASNHY-LLVKDONJSA-N 1 0 295.339 -1.385 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1OCCC2 ZINC001268312497 775398767 /nfs/dbraw/zinc/39/87/67/775398767.db2.gz GEPISRCQYSGISE-SNVBAGLBSA-N 1 0 278.312 -1.021 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ncc(OC)cn1 ZINC001268312241 775398819 /nfs/dbraw/zinc/39/88/19/775398819.db2.gz CGTFIRWEQFQSRS-VIFPVBQESA-N 1 0 264.285 -1.201 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001268316129 775399256 /nfs/dbraw/zinc/39/92/56/775399256.db2.gz HQUIWOXNWIGLRU-UWVGGRQHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001268314898 775399291 /nfs/dbraw/zinc/39/92/91/775399291.db2.gz AOCUFCURAMMENO-JTQLQIEISA-N 1 0 281.316 -2.328 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001268312910 775399999 /nfs/dbraw/zinc/39/99/99/775399999.db2.gz LDJZDXHDAHGPLD-GHMZBOCLSA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN1CCCNC1=O ZINC001268316182 775400060 /nfs/dbraw/zinc/40/00/60/775400060.db2.gz RAAWRZJPCRCHHD-LLVKDONJSA-N 1 0 282.344 -1.508 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001268319256 775401111 /nfs/dbraw/zinc/40/11/11/775401111.db2.gz GQUMQLAYOCCDIF-NWDGAFQWSA-N 1 0 297.355 -1.819 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnnc1 ZINC001268320320 775401771 /nfs/dbraw/zinc/40/17/71/775401771.db2.gz HDIAUBJQNQDQJY-GFCCVEGCSA-N 1 0 278.312 -1.193 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001268322362 775402922 /nfs/dbraw/zinc/40/29/22/775402922.db2.gz LJURYLYMRVHRPK-BDAKNGLRSA-N 1 0 284.316 -2.675 20 30 CAEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268327002 775403059 /nfs/dbraw/zinc/40/30/59/775403059.db2.gz ZIOHLXAMAFCOHN-ZJUUUORDSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001268326669 775403062 /nfs/dbraw/zinc/40/30/62/775403062.db2.gz MFKILAZBSYCBAX-SNVBAGLBSA-N 1 0 266.305 -1.847 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001268322367 775403071 /nfs/dbraw/zinc/40/30/71/775403071.db2.gz LJURYLYMRVHRPK-RKDXNWHRSA-N 1 0 284.316 -2.675 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001268324983 775403078 /nfs/dbraw/zinc/40/30/78/775403078.db2.gz WZPVDRGLWHSOLD-CABZTGNLSA-N 1 0 253.302 -1.645 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(OC)nn1 ZINC001268327301 775403111 /nfs/dbraw/zinc/40/31/11/775403111.db2.gz IXGINQKTSOVSTL-VIFPVBQESA-N 1 0 264.285 -1.201 20 30 CAEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268327001 775403565 /nfs/dbraw/zinc/40/35/65/775403565.db2.gz ZIOHLXAMAFCOHN-UWVGGRQHSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001268329236 775404700 /nfs/dbraw/zinc/40/47/00/775404700.db2.gz SWMZUFHXBHWJRZ-SECBINFHSA-N 1 0 291.373 -1.986 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001268328052 775404643 /nfs/dbraw/zinc/40/46/43/775404643.db2.gz LNAMOFOQLGLZLQ-JTQLQIEISA-N 1 0 296.327 -2.030 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnon1 ZINC001268328024 775404789 /nfs/dbraw/zinc/40/47/89/775404789.db2.gz WFGDFTPPDPZDGA-SECBINFHSA-N 1 0 268.273 -1.600 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)nc1 ZINC001268332326 775405195 /nfs/dbraw/zinc/40/51/95/775405195.db2.gz YJRWXUCAPIOEAE-NSHDSACASA-N 1 0 290.323 -1.511 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O)nc1 ZINC001268330828 775405341 /nfs/dbraw/zinc/40/53/41/775405341.db2.gz PIOJCDGRIFKRCY-GXSJLCMTSA-N 1 0 290.323 -1.383 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnon1 ZINC001268328032 775405611 /nfs/dbraw/zinc/40/56/11/775405611.db2.gz WFGDFTPPDPZDGA-VIFPVBQESA-N 1 0 268.273 -1.600 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001268327942 775405644 /nfs/dbraw/zinc/40/56/44/775405644.db2.gz UPRXCUORKDFWNK-RISCZKNCSA-N 1 0 299.371 -1.218 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001268327941 775405701 /nfs/dbraw/zinc/40/57/01/775405701.db2.gz UPRXCUORKDFWNK-FZMZJTMJSA-N 1 0 299.371 -1.218 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268335697 775406301 /nfs/dbraw/zinc/40/63/01/775406301.db2.gz NSGAXDIOTKQCNS-IUCAKERBSA-N 1 0 277.346 -2.069 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001268335732 775406487 /nfs/dbraw/zinc/40/64/87/775406487.db2.gz OHOPRNUPOSMLNB-JTQLQIEISA-N 1 0 281.312 -1.775 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268335698 775406541 /nfs/dbraw/zinc/40/65/41/775406541.db2.gz NSGAXDIOTKQCNS-RKDXNWHRSA-N 1 0 277.346 -2.069 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001268335391 775406661 /nfs/dbraw/zinc/40/66/61/775406661.db2.gz SXTTXGZCNHMLBP-SNVBAGLBSA-N 1 0 282.344 -1.020 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001268332494 775406814 /nfs/dbraw/zinc/40/68/14/775406814.db2.gz OJEAPYRPDZQIQU-SNVBAGLBSA-N 1 0 290.323 -1.245 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O)nc1 ZINC001268330840 775406880 /nfs/dbraw/zinc/40/68/80/775406880.db2.gz PIOJCDGRIFKRCY-MWLCHTKSSA-N 1 0 290.323 -1.383 20 30 CAEDRO C=CCC1(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CCOCC1 ZINC001268334393 775406946 /nfs/dbraw/zinc/40/69/46/775406946.db2.gz YXQCOOGYUYUQRX-LLVKDONJSA-N 1 0 299.371 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001268348829 775407875 /nfs/dbraw/zinc/40/78/75/775407875.db2.gz IOXMGOZGXKONBV-WDEREUQCSA-N 1 0 294.355 -1.501 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268335939 775408400 /nfs/dbraw/zinc/40/84/00/775408400.db2.gz AXVGCMVMPIEMMO-ZJUUUORDSA-N 1 0 283.328 -1.318 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001268339850 775408583 /nfs/dbraw/zinc/40/85/83/775408583.db2.gz XJRSYZOENBAHLW-JTQLQIEISA-N 1 0 276.296 -1.506 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cn1ncnn1 ZINC001268364124 775409082 /nfs/dbraw/zinc/40/90/82/775409082.db2.gz BADKDRKSCCZKAX-SECBINFHSA-N 1 0 294.319 -2.203 20 30 CAEDRO CNC(=O)NCC(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001268372200 775409187 /nfs/dbraw/zinc/40/91/87/775409187.db2.gz WUDOLNLZASSKDC-SECBINFHSA-N 1 0 298.347 -1.960 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001268365865 775409921 /nfs/dbraw/zinc/40/99/21/775409921.db2.gz LDYWKCCQSYMAFJ-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO O=C[C@H]([NH2+][C@H]1C[C@H]2C[C@H]2C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001167903964 775410563 /nfs/dbraw/zinc/41/05/63/775410563.db2.gz ZARHVJFEEPZRNC-LLTAESJISA-N 1 0 259.302 -1.983 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C(N)=O ZINC001268395368 775410613 /nfs/dbraw/zinc/41/06/13/775410613.db2.gz PGFFFWTWBGYTIG-QMMMGPOBSA-N 1 0 254.290 -2.295 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001268395441 775411077 /nfs/dbraw/zinc/41/10/77/775411077.db2.gz QDMIQWYZEVQLBI-SNVBAGLBSA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C(N)=O ZINC001268395366 775411113 /nfs/dbraw/zinc/41/11/13/775411113.db2.gz PGFFFWTWBGYTIG-MRVPVSSYSA-N 1 0 254.290 -2.295 20 30 CAEDRO CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)C(N)=O ZINC001282310252 775411231 /nfs/dbraw/zinc/41/12/31/775411231.db2.gz IAYQOVXOZMTRKU-UHFFFAOYSA-N 1 0 283.332 -1.814 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)CNC(=O)OC ZINC001268441189 775413490 /nfs/dbraw/zinc/41/34/90/775413490.db2.gz ZRSAHWRCGYLLGW-UHFFFAOYSA-N 1 0 299.331 -1.580 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207688482 775413692 /nfs/dbraw/zinc/41/36/92/775413692.db2.gz PPMIAPKBIOCARX-RKDXNWHRSA-N 1 0 281.316 -1.078 20 30 CAEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC1CN(CC(=O)NCC#N)C1 ZINC001268438315 775414401 /nfs/dbraw/zinc/41/44/01/775414401.db2.gz RBQXRHJHXVSZLX-LBPRGKRZSA-N 1 0 293.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724982 775415790 /nfs/dbraw/zinc/41/57/90/775415790.db2.gz GKQMOSMUIREEHC-JTQLQIEISA-N 1 0 282.344 -1.255 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724983 775416503 /nfs/dbraw/zinc/41/65/03/775416503.db2.gz GKQMOSMUIREEHC-SNVBAGLBSA-N 1 0 282.344 -1.255 20 30 CAEDRO C#CCNC(=O)CN1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211744036 775417827 /nfs/dbraw/zinc/41/78/27/775417827.db2.gz RCTGKXKLIXQAEC-VXGBXAGGSA-N 1 0 297.355 -1.412 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCNC1=O ZINC001268469268 775419875 /nfs/dbraw/zinc/41/98/75/775419875.db2.gz JPUKHYFOBKTEST-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268479738 775421479 /nfs/dbraw/zinc/42/14/79/775421479.db2.gz RHRQXGKDPMNMHA-ZJUUUORDSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211752499 775422314 /nfs/dbraw/zinc/42/23/14/775422314.db2.gz RPEWOFKPDHCAHN-QJPTWQEYSA-N 1 0 297.355 -1.414 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@](C)(O)C=C ZINC001126366148 775423884 /nfs/dbraw/zinc/42/38/84/775423884.db2.gz RNBXYJVAOZUPPG-ZDUSSCGKSA-N 1 0 267.329 -1.231 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211776984 775424720 /nfs/dbraw/zinc/42/47/20/775424720.db2.gz YOVPSASLUSXNLO-CHWSQXEVSA-N 1 0 297.355 -1.412 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CS(=O)(=O)N(C)C ZINC001268494613 775424731 /nfs/dbraw/zinc/42/47/31/775424731.db2.gz MGUNPRPAORFGDV-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1COC(=O)N1 ZINC001268536913 775427392 /nfs/dbraw/zinc/42/73/92/775427392.db2.gz QEVPQAATGBMGEJ-FSIBCCDJSA-N 1 0 296.327 -1.341 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC(=O)N1 ZINC001268521766 775427688 /nfs/dbraw/zinc/42/76/88/775427688.db2.gz IZKSQJRWGBEIJR-PGLGOXFNSA-N 1 0 294.355 -1.171 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001126377398 775431865 /nfs/dbraw/zinc/43/18/65/775431865.db2.gz AHHDNLWHCWGVJZ-LLVKDONJSA-N 1 0 293.389 -1.432 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330393 775433678 /nfs/dbraw/zinc/43/36/78/775433678.db2.gz UDMOLKIVBBCWBD-BDAKNGLRSA-N 1 0 252.278 -1.980 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CNC(=O)N1 ZINC001268583944 775436129 /nfs/dbraw/zinc/43/61/29/775436129.db2.gz HFUDRHNIHOKTMB-GPYPMJJRSA-N 1 0 294.315 -2.430 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001126385918 775436385 /nfs/dbraw/zinc/43/63/85/775436385.db2.gz ZUHSTZICPHERCV-PRHODGIISA-N 1 0 286.332 -1.397 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CNC(=O)N1 ZINC001268583946 775437355 /nfs/dbraw/zinc/43/73/55/775437355.db2.gz HFUDRHNIHOKTMB-JKERVTFKSA-N 1 0 294.315 -2.430 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CNC(=O)N1 ZINC001268583947 775437403 /nfs/dbraw/zinc/43/74/03/775437403.db2.gz HFUDRHNIHOKTMB-VWCDRPFISA-N 1 0 294.315 -2.430 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O ZINC001083368059 775450529 /nfs/dbraw/zinc/45/05/29/775450529.db2.gz BPLBPBYGLDTWSG-MXWKQRLJSA-N 1 0 252.318 -1.235 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368332 775451095 /nfs/dbraw/zinc/45/10/95/775451095.db2.gz KDTBWYMBBCIJMR-WOPDTQHZSA-N 1 0 251.330 -1.125 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001083385009 775455216 /nfs/dbraw/zinc/45/52/16/775455216.db2.gz BHLJMZPOROXUFH-AGIUHOORSA-N 1 0 281.356 -1.498 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CN1C(=O)CNC1=O ZINC001268623095 775459205 /nfs/dbraw/zinc/45/92/05/775459205.db2.gz JGPAYKRVQHVJRF-ONEGZZNKSA-N 1 0 264.285 -1.567 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1ccnnc1 ZINC001268599527 775459237 /nfs/dbraw/zinc/45/92/37/775459237.db2.gz RBZMEDZDFNHOCA-UPHRSURJSA-N 1 0 288.311 -1.008 20 30 CAEDRO C#CCC[NH2+]C/C=C/CNC(=O)CS(=O)(=O)NC ZINC001268629709 775460274 /nfs/dbraw/zinc/46/02/74/775460274.db2.gz YVZQDQAUZTZLQY-AATRIKPKSA-N 1 0 273.358 -1.179 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cncn1 ZINC001268621636 775460295 /nfs/dbraw/zinc/46/02/95/775460295.db2.gz WNZUYBSBFAEBHG-ARJAWSKDSA-N 1 0 290.327 -1.711 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001268636322 775460958 /nfs/dbraw/zinc/46/09/58/775460958.db2.gz UPIUFKUUQDIKSG-NXEZZACHSA-N 1 0 284.360 -1.093 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001268643691 775461456 /nfs/dbraw/zinc/46/14/56/775461456.db2.gz ZJTOFDVYOUSDEL-BDAKNGLRSA-N 1 0 283.332 -2.113 20 30 CAEDRO C=CCOCC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001268640299 775461903 /nfs/dbraw/zinc/46/19/03/775461903.db2.gz RCKXQUDTALRUAX-RKDXNWHRSA-N 1 0 286.332 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC(N)=O ZINC001268642428 775461987 /nfs/dbraw/zinc/46/19/87/775461987.db2.gz RJQOIDUHLWZVHT-BDAKNGLRSA-N 1 0 268.317 -1.906 20 30 CAEDRO C=CCOCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001268639600 775462168 /nfs/dbraw/zinc/46/21/68/775462168.db2.gz KAWQBLKJTCSXOA-MRVPVSSYSA-N 1 0 272.305 -1.522 20 30 CAEDRO CC(=O)NCC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268637425 775462193 /nfs/dbraw/zinc/46/21/93/775462193.db2.gz ZOCATQILULTTOH-MRVPVSSYSA-N 1 0 269.305 -2.143 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001268656598 775462816 /nfs/dbraw/zinc/46/28/16/775462816.db2.gz VUOKWEOPWSNVOK-MRVPVSSYSA-N 1 0 264.351 -1.680 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001268657170 775462823 /nfs/dbraw/zinc/46/28/23/775462823.db2.gz LCBJYHAHZNKLEW-MNOVXSKESA-N 1 0 267.329 -1.133 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001268657400 775462849 /nfs/dbraw/zinc/46/28/49/775462849.db2.gz UIFYBZCGWFNKJZ-ZJUUUORDSA-N 1 0 282.344 -1.481 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCNC1=O ZINC001268657539 775463418 /nfs/dbraw/zinc/46/34/18/775463418.db2.gz ZXCCSNBFQZHMGO-RKDXNWHRSA-N 1 0 281.316 -2.143 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001268654570 775463433 /nfs/dbraw/zinc/46/34/33/775463433.db2.gz BWHCUTYTXKYMAG-BDAKNGLRSA-N 1 0 289.357 -1.820 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268658826 775463439 /nfs/dbraw/zinc/46/34/39/775463439.db2.gz GMZMTMFQHSERGM-MNOVXSKESA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268658825 775463487 /nfs/dbraw/zinc/46/34/87/775463487.db2.gz GMZMTMFQHSERGM-GHMZBOCLSA-N 1 0 282.344 -1.246 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001268644494 775463665 /nfs/dbraw/zinc/46/36/65/775463665.db2.gz DKQJQNVQKPMMBM-MRVPVSSYSA-N 1 0 266.301 -1.311 20 30 CAEDRO CCn1nncc1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268645428 775463705 /nfs/dbraw/zinc/46/37/05/775463705.db2.gz YOUCDZGXCGPXIJ-SECBINFHSA-N 1 0 293.331 -1.354 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1cncn1C ZINC001268670042 775464402 /nfs/dbraw/zinc/46/44/02/775464402.db2.gz QULFTUIRBSXYSG-LLVKDONJSA-N 1 0 291.355 -1.194 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268681208 775466650 /nfs/dbraw/zinc/46/66/50/775466650.db2.gz CSSVOYOPQFJNQX-BDAKNGLRSA-N 1 0 281.316 -1.208 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001268684993 775466706 /nfs/dbraw/zinc/46/67/06/775466706.db2.gz XWIPVPSZOIFCAA-NWDGAFQWSA-N 1 0 298.387 -1.287 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CNC(=O)C1CC1 ZINC001268678419 775466886 /nfs/dbraw/zinc/46/68/86/775466886.db2.gz HCYMDCSTMXRVMD-VIFPVBQESA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cncnc1 ZINC001268684764 775467303 /nfs/dbraw/zinc/46/73/03/775467303.db2.gz VGJDYPXOELXJAH-VIFPVBQESA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001268682488 775467365 /nfs/dbraw/zinc/46/73/65/775467365.db2.gz MKIBJWKRJGSONC-HBNTYKKESA-N 1 0 294.355 -1.503 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)COC ZINC001268676422 775467481 /nfs/dbraw/zinc/46/74/81/775467481.db2.gz WFJOWEQSVXMELQ-VHSXEESVSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268699076 775468124 /nfs/dbraw/zinc/46/81/24/775468124.db2.gz DKTPGQODWPJVBP-VHSXEESVSA-N 1 0 295.343 -2.146 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCNC1=O ZINC001268698864 775468401 /nfs/dbraw/zinc/46/84/01/775468401.db2.gz ZXCCSNBFQZHMGO-IUCAKERBSA-N 1 0 281.316 -2.143 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268689862 775468481 /nfs/dbraw/zinc/46/84/81/775468481.db2.gz DAWBCGHPWACUJK-UWVGGRQHSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001268692936 775468608 /nfs/dbraw/zinc/46/86/08/775468608.db2.gz OWGRKFFHXRPTNS-VIFPVBQESA-N 1 0 268.317 -2.034 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268699240 775468628 /nfs/dbraw/zinc/46/86/28/775468628.db2.gz GMZMTMFQHSERGM-QWRGUYRKSA-N 1 0 282.344 -1.246 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC(=O)N1C ZINC001268699210 775468686 /nfs/dbraw/zinc/46/86/86/775468686.db2.gz FNTOZDRJUHEOOM-UWVGGRQHSA-N 1 0 295.343 -1.659 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001268698596 775469742 /nfs/dbraw/zinc/46/97/42/775469742.db2.gz WAZQNMGPDYFNBX-NSHDSACASA-N 1 0 266.345 -1.464 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001268701977 775470694 /nfs/dbraw/zinc/47/06/94/775470694.db2.gz NXNZSIDLQSIOLK-IUCAKERBSA-N 1 0 281.316 -2.489 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001268715248 775471308 /nfs/dbraw/zinc/47/13/08/775471308.db2.gz DYKZZXLWSKONOX-NSHDSACASA-N 1 0 289.401 -1.003 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001268717316 775471484 /nfs/dbraw/zinc/47/14/84/775471484.db2.gz VRAXXAULTVKGDF-VIFPVBQESA-N 1 0 299.375 -1.170 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001268780953 775473353 /nfs/dbraw/zinc/47/33/53/775473353.db2.gz YWAOFSUBAQZHNM-JTQLQIEISA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1nc[nH]n1 ZINC001268885812 775479146 /nfs/dbraw/zinc/47/91/46/775479146.db2.gz URBMJZVJDGNZFE-UHFFFAOYSA-N 1 0 278.316 -1.394 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268949908 775481697 /nfs/dbraw/zinc/48/16/97/775481697.db2.gz FDQHMUXXHZSEJU-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)C[C@H]1CC(=O)NC1=O ZINC001279920121 775484345 /nfs/dbraw/zinc/48/43/45/775484345.db2.gz PRZKKGHABVAXBJ-LLVKDONJSA-N 1 0 295.339 -1.527 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001269069445 775488113 /nfs/dbraw/zinc/48/81/13/775488113.db2.gz OQHVBUBILDAVJB-RYUDHWBXSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001269073591 775488677 /nfs/dbraw/zinc/48/86/77/775488677.db2.gz WMGBLEVZWFQPQD-JTQLQIEISA-N 1 0 290.327 -1.631 20 30 CAEDRO CC#CC[NH2+]C[C@@H](NC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001269098951 775490399 /nfs/dbraw/zinc/49/03/99/775490399.db2.gz DNXQKJXQTLCBLL-CYBMUJFWSA-N 1 0 292.383 -1.074 20 30 CAEDRO CC#CC[NH2+]C[C@H](NC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001269098952 775490843 /nfs/dbraw/zinc/49/08/43/775490843.db2.gz DNXQKJXQTLCBLL-ZDUSSCGKSA-N 1 0 292.383 -1.074 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001284415967 775491578 /nfs/dbraw/zinc/49/15/78/775491578.db2.gz ISCIORWIVCBIPH-LLVKDONJSA-N 1 0 292.339 -1.174 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001284405011 775492022 /nfs/dbraw/zinc/49/20/22/775492022.db2.gz QXNSKSWPWFWHGL-QWHCGFSZSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)CS(=O)(=O)NC)C1CC1 ZINC001269148448 775492070 /nfs/dbraw/zinc/49/20/70/775492070.db2.gz CQAFIMBSJHOWSQ-SNVBAGLBSA-N 1 0 273.358 -1.347 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1cnon1)C1CC1 ZINC001269130086 775492081 /nfs/dbraw/zinc/49/20/81/775492081.db2.gz PWNBGANRGRWMTF-SECBINFHSA-N 1 0 292.299 -1.193 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001284435667 775496607 /nfs/dbraw/zinc/49/66/07/775496607.db2.gz JYQPRDWUDCTQKT-RYUDHWBXSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284434859 775496970 /nfs/dbraw/zinc/49/69/70/775496970.db2.gz AUVJMXWWVYPNGQ-VIFPVBQESA-N 1 0 264.285 -1.574 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284444797 775498395 /nfs/dbraw/zinc/49/83/95/775498395.db2.gz NNILBMJZEHXTDM-VIFPVBQESA-N 1 0 255.318 -1.153 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001284471006 775502405 /nfs/dbraw/zinc/50/24/05/775502405.db2.gz YLHUQWMRXGXTJG-VIFPVBQESA-N 1 0 294.311 -1.858 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001284491747 775503189 /nfs/dbraw/zinc/50/31/89/775503189.db2.gz IFAWVZWPQGEKSV-UWVGGRQHSA-N 1 0 270.333 -1.573 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001284491750 775503909 /nfs/dbraw/zinc/50/39/09/775503909.db2.gz IFAWVZWPQGEKSV-VHSXEESVSA-N 1 0 270.333 -1.573 20 30 CAEDRO Cn1cnc(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)n1 ZINC001269407313 775506690 /nfs/dbraw/zinc/50/66/90/775506690.db2.gz JBEVPLZDQCNCAE-UHFFFAOYSA-N 1 0 291.315 -1.693 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001284504620 775506713 /nfs/dbraw/zinc/50/67/13/775506713.db2.gz HLPNFHMRGSRXEX-VXGBXAGGSA-N 1 0 296.371 -1.216 20 30 CAEDRO CC[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001269487264 775510347 /nfs/dbraw/zinc/51/03/47/775510347.db2.gz SSMHFKMYMMHUOZ-QMMMGPOBSA-N 1 0 279.304 -1.458 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cncn2)CC1 ZINC001269530519 775511389 /nfs/dbraw/zinc/51/13/89/775511389.db2.gz NOWCESPYGGXNBC-UHFFFAOYSA-N 1 0 290.327 -1.734 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001269544892 775511664 /nfs/dbraw/zinc/51/16/64/775511664.db2.gz WQCJJSAHNRYECO-UHFFFAOYSA-N 1 0 276.300 -1.751 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2nonc2C)CC1 ZINC001269544630 775511849 /nfs/dbraw/zinc/51/18/49/775511849.db2.gz MXIJZSDIDZJYNO-UHFFFAOYSA-N 1 0 291.311 -1.021 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nccn1CC ZINC001126417470 775511858 /nfs/dbraw/zinc/51/18/58/775511858.db2.gz ILKRNRNCLUNTFC-UHFFFAOYSA-N 1 0 277.328 -1.028 20 30 CAEDRO CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(CC(=O)NCC#N)C1 ZINC001269764272 775516582 /nfs/dbraw/zinc/51/65/82/775516582.db2.gz QSSDGGZVYHEKFT-GFCCVEGCSA-N 1 0 293.371 -1.137 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CCC(O)CC1 ZINC001126453604 775525902 /nfs/dbraw/zinc/52/59/02/775525902.db2.gz UMDSUTIWCVDRME-UHFFFAOYSA-N 1 0 282.344 -1.117 20 30 CAEDRO COCC(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001270339986 775528862 /nfs/dbraw/zinc/52/88/62/775528862.db2.gz KITNXROCQYJBHG-SECBINFHSA-N 1 0 256.306 -1.386 20 30 CAEDRO C#CCN(C(=O)CC(N)=O)C1CCN([C@@H](C)C(N)=O)CC1 ZINC001270302449 775529321 /nfs/dbraw/zinc/52/93/21/775529321.db2.gz ZCUMDNCHQGKWNO-JTQLQIEISA-N 1 0 294.355 -1.338 20 30 CAEDRO C[C@@H](CNC(=O)C1=COCCO1)C[NH2+]CC(=O)NCC#N ZINC001270347024 775529336 /nfs/dbraw/zinc/52/93/36/775529336.db2.gz BUVRLGPFIPGUNW-SNVBAGLBSA-N 1 0 296.327 -1.144 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(C)(C)O ZINC001126462001 775529990 /nfs/dbraw/zinc/52/99/90/775529990.db2.gz IECYMQPCISEHDE-UHFFFAOYSA-N 1 0 255.318 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CNS(=O)(=O)CC ZINC001270410574 775530113 /nfs/dbraw/zinc/53/01/13/775530113.db2.gz WOWDPXVKXNSOAL-SNVBAGLBSA-N 1 0 275.374 -1.099 20 30 CAEDRO C[C@@H](CNC(=O)c1ncn(C)n1)C[NH2+]CC(=O)NCC#N ZINC001270402171 775530616 /nfs/dbraw/zinc/53/06/16/775530616.db2.gz RIBUVMNUURTJRW-SECBINFHSA-N 1 0 293.331 -1.590 20 30 CAEDRO CC(=O)N1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001149312609 775548302 /nfs/dbraw/zinc/54/83/02/775548302.db2.gz MLOXUTHPVKLWFI-LLVKDONJSA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)C1CC1 ZINC001126486949 775549456 /nfs/dbraw/zinc/54/94/56/775549456.db2.gz NPUPDKFECRLGRZ-LBPRGKRZSA-N 1 0 267.329 -1.133 20 30 CAEDRO COCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001270870092 775554792 /nfs/dbraw/zinc/55/47/92/775554792.db2.gz IYPWETDHWXQAFK-VIFPVBQESA-N 1 0 256.306 -1.291 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001270878546 775555263 /nfs/dbraw/zinc/55/52/63/775555263.db2.gz VQKLRZUYBGXGIA-GHMZBOCLSA-N 1 0 296.371 -1.303 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cnnn1C ZINC001126523095 775558823 /nfs/dbraw/zinc/55/88/23/775558823.db2.gz FPYFHSGTGJRZHR-UHFFFAOYSA-N 1 0 251.290 -1.216 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001149318698 775558994 /nfs/dbraw/zinc/55/89/94/775558994.db2.gz XXCOAARKXUGRRM-LBPRGKRZSA-N 1 0 294.355 -1.690 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cnnn2C)C1=O ZINC001126528609 775559964 /nfs/dbraw/zinc/55/99/64/775559964.db2.gz NBGSGQPMINCUAP-SNVBAGLBSA-N 1 0 292.343 -1.079 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC(N)=O ZINC001270921215 775560485 /nfs/dbraw/zinc/56/04/85/775560485.db2.gz GUIRPTHBGFJJJU-NXEZZACHSA-N 1 0 284.360 -1.011 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnnn1C ZINC001126535012 775563067 /nfs/dbraw/zinc/56/30/67/775563067.db2.gz AKOBGJINMKNLKS-UHFFFAOYSA-N 1 0 266.305 -1.563 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCOCC1 ZINC001271064223 775564393 /nfs/dbraw/zinc/56/43/93/775564393.db2.gz JTRKXSCETZZORS-UHFFFAOYSA-N 1 0 296.327 -2.524 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001271083326 775566633 /nfs/dbraw/zinc/56/66/33/775566633.db2.gz PTXFNUOAWLEONM-UWVGGRQHSA-N 1 0 295.343 -2.146 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCNC1=O ZINC001271068913 775567341 /nfs/dbraw/zinc/56/73/41/775567341.db2.gz VCFRAVGGUWCCDC-GHMZBOCLSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001271121019 775568088 /nfs/dbraw/zinc/56/80/88/775568088.db2.gz OYWKDXIMPKLCPP-ZDUSSCGKSA-N 1 0 283.328 -1.081 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001271118750 775568622 /nfs/dbraw/zinc/56/86/22/775568622.db2.gz CUPMQGMCCCCPLC-AAEUAGOBSA-N 1 0 268.313 -1.412 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001271118752 775569251 /nfs/dbraw/zinc/56/92/51/775569251.db2.gz CUPMQGMCCCCPLC-WCQYABFASA-N 1 0 268.313 -1.412 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001271113911 775569323 /nfs/dbraw/zinc/56/93/23/775569323.db2.gz VZWOIPOSSNALTF-BBBLOLIVSA-N 1 0 295.343 -1.816 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnnn1C ZINC001126540768 775570678 /nfs/dbraw/zinc/57/06/78/775570678.db2.gz HJFOYXCZTKVNMB-VIFPVBQESA-N 1 0 278.316 -1.728 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001083417020 775570878 /nfs/dbraw/zinc/57/08/78/775570878.db2.gz ARJSXQKULSNFNK-AGIUHOORSA-N 1 0 281.356 -1.498 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001083417021 775571825 /nfs/dbraw/zinc/57/18/25/775571825.db2.gz ARJSXQKULSNFNK-UPJWGTAASA-N 1 0 281.356 -1.498 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001271138698 775573218 /nfs/dbraw/zinc/57/32/18/775573218.db2.gz SAKBYYPAIOUQLI-BXUZGUMPSA-N 1 0 279.340 -1.301 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001271131550 775574156 /nfs/dbraw/zinc/57/41/56/775574156.db2.gz JZVIBGBADLESIT-GFCCVEGCSA-N 1 0 253.302 -1.562 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001271145666 775576198 /nfs/dbraw/zinc/57/61/98/775576198.db2.gz PJSMORAGITWAPN-NSHDSACASA-N 1 0 266.305 -1.588 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126549269 775579279 /nfs/dbraw/zinc/57/92/79/775579279.db2.gz ZUQLEEVMBAXQTB-VIFPVBQESA-N 1 0 255.274 -1.550 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126555223 775581630 /nfs/dbraw/zinc/58/16/30/775581630.db2.gz VEWPQIFRXUQYOP-VHSXEESVSA-N 1 0 296.327 -1.413 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COCCN2CC)C1 ZINC001271158643 775581839 /nfs/dbraw/zinc/58/18/39/775581839.db2.gz DLUJJQHZWLKTEF-HIFRSBDPSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001271158641 775581909 /nfs/dbraw/zinc/58/19/09/775581909.db2.gz DLUJJQHZWLKTEF-DZGCQCFKSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001271158647 775582078 /nfs/dbraw/zinc/58/20/78/775582078.db2.gz DLUJJQHZWLKTEF-ZFWWWQNUSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710201 775585132 /nfs/dbraw/zinc/58/51/32/775585132.db2.gz AYCHBIHAZRIQQK-LLVKDONJSA-N 1 0 290.327 -1.350 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1nnc[nH]1 ZINC001271163617 775585503 /nfs/dbraw/zinc/58/55/03/775585503.db2.gz SCJJOCDKKCMNSE-VIFPVBQESA-N 1 0 293.331 -1.577 20 30 CAEDRO C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710203 775585634 /nfs/dbraw/zinc/58/56/34/775585634.db2.gz AYCHBIHAZRIQQK-NSHDSACASA-N 1 0 290.327 -1.350 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126561467 775586776 /nfs/dbraw/zinc/58/67/76/775586776.db2.gz QCDXGMPCMYFHRX-DTWKUNHWSA-N 1 0 284.316 -1.509 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001271182978 775591419 /nfs/dbraw/zinc/59/14/19/775591419.db2.gz ABINJPVWTNFWQK-GXFFZTMASA-N 1 0 282.344 -1.203 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271184665 775593360 /nfs/dbraw/zinc/59/33/60/775593360.db2.gz NIKYVACEEFUWSS-GFCCVEGCSA-N 1 0 271.317 -1.773 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001271215346 775594059 /nfs/dbraw/zinc/59/40/59/775594059.db2.gz FTYIWPIUNGEHFM-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001271215347 775594289 /nfs/dbraw/zinc/59/42/89/775594289.db2.gz FTYIWPIUNGEHFM-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001271201603 775594536 /nfs/dbraw/zinc/59/45/36/775594536.db2.gz SZHMDNZXHQNPPR-TVQRCGJNSA-N 1 0 294.311 -2.229 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001271201604 775594549 /nfs/dbraw/zinc/59/45/49/775594549.db2.gz SZHMDNZXHQNPPR-ZANVPECISA-N 1 0 294.311 -2.229 20 30 CAEDRO C#CCNC(=O)CN1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001271351388 775604509 /nfs/dbraw/zinc/60/45/09/775604509.db2.gz WZEXUSMZNHEMNC-UHFFFAOYSA-N 1 0 296.371 -2.150 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001271660518 775617137 /nfs/dbraw/zinc/61/71/37/775617137.db2.gz SMHZFYHPIORHGR-VHSXEESVSA-N 1 0 280.328 -2.095 20 30 CAEDRO C[C@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001168081081 775621420 /nfs/dbraw/zinc/62/14/20/775621420.db2.gz XLTAOIISJKRSGQ-PYZHKEBXSA-N 1 0 277.317 -2.214 20 30 CAEDRO C[C@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001168081064 775621779 /nfs/dbraw/zinc/62/17/79/775621779.db2.gz XLTAOIISJKRSGQ-NCKSRDSBSA-N 1 0 277.317 -2.214 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)CCS(=O)(=O)NC ZINC001272013514 775638231 /nfs/dbraw/zinc/63/82/31/775638231.db2.gz KTBQXSUVKQDEQE-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126697578 775651112 /nfs/dbraw/zinc/65/11/12/775651112.db2.gz AGYNMKCQMYJPBL-JTQLQIEISA-N 1 0 299.375 -1.298 20 30 CAEDRO CNC(=O)NCCC(=O)NCC[NH2+]CC#CCOC ZINC001126693327 775651052 /nfs/dbraw/zinc/65/10/52/775651052.db2.gz VGIGNOKHPSQPQV-UHFFFAOYSA-N 1 0 270.333 -1.339 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126698469 775651353 /nfs/dbraw/zinc/65/13/53/775651353.db2.gz WMFGNJPTHNAFCN-JTQLQIEISA-N 1 0 297.359 -1.851 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126693019 775651369 /nfs/dbraw/zinc/65/13/69/775651369.db2.gz LDVMFTDSODWQRI-UHFFFAOYSA-N 1 0 283.332 -2.239 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC)n1 ZINC001126712728 775653045 /nfs/dbraw/zinc/65/30/45/775653045.db2.gz XARCUFGMMPWKET-UHFFFAOYSA-N 1 0 280.332 -1.080 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC)n1 ZINC001126716170 775653631 /nfs/dbraw/zinc/65/36/31/775653631.db2.gz BLJLQWDIBGXCBB-SNVBAGLBSA-N 1 0 292.343 -1.245 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnnn1CC ZINC001126722299 775656608 /nfs/dbraw/zinc/65/66/08/775656608.db2.gz YREWYEHLDNZDHF-UHFFFAOYSA-N 1 0 278.316 -1.633 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001083432819 775660573 /nfs/dbraw/zinc/66/05/73/775660573.db2.gz GNDPANDWPJHARK-NEPJUHHUSA-N 1 0 260.297 -1.186 20 30 CAEDRO C#CCCN1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001083445270 775668405 /nfs/dbraw/zinc/66/84/05/775668405.db2.gz UHTYUMKRUYTNHG-ZJUUUORDSA-N 1 0 263.301 -1.387 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1OC ZINC001212031955 775668482 /nfs/dbraw/zinc/66/84/82/775668482.db2.gz CJTLCUFNMDRNDV-GRYCIOLGSA-N 1 0 297.355 -1.107 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212034520 775668842 /nfs/dbraw/zinc/66/88/42/775668842.db2.gz XSEHHTHSQJAJRZ-GHMZBOCLSA-N 1 0 258.318 -1.003 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212031994 775669009 /nfs/dbraw/zinc/66/90/09/775669009.db2.gz DVIYPNFHJFUIKQ-HBNTYKKESA-N 1 0 285.344 -1.122 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001083452261 775673669 /nfs/dbraw/zinc/67/36/69/775673669.db2.gz BMGWSJYUQJEXFB-MNOVXSKESA-N 1 0 277.328 -1.160 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001272106610 775676739 /nfs/dbraw/zinc/67/67/39/775676739.db2.gz XAAYSCRYHKYJKC-UHFFFAOYSA-N 1 0 299.356 -1.306 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001272136312 775678142 /nfs/dbraw/zinc/67/81/42/775678142.db2.gz NKLYZSRGNLUGPE-LBPRGKRZSA-N 1 0 269.345 -1.639 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001272136305 775678662 /nfs/dbraw/zinc/67/86/62/775678662.db2.gz NGYIMGSQPXHTBT-CYBMUJFWSA-N 1 0 283.372 -1.249 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001272154103 775678627 /nfs/dbraw/zinc/67/86/27/775678627.db2.gz AYSRKKMUVHJDSS-NSHDSACASA-N 1 0 299.327 -1.845 20 30 CAEDRO COC[C@H](O)C[NH2+]CCN(CCO)C(=O)C#CC1CC1 ZINC001272162647 775679587 /nfs/dbraw/zinc/67/95/87/775679587.db2.gz QXKSEKSYTGNYNG-CYBMUJFWSA-N 1 0 284.356 -1.182 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1(F)F ZINC001126765166 775679592 /nfs/dbraw/zinc/67/95/92/775679592.db2.gz QLOIPTMUGPNECC-ZETCQYMHSA-N 1 0 260.244 -1.013 20 30 CAEDRO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001272172150 775682140 /nfs/dbraw/zinc/68/21/40/775682140.db2.gz KMJLNVZZUCEMCI-LBPRGKRZSA-N 1 0 295.387 -1.032 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C1(C(=O)NC)CC1 ZINC001168285526 775686213 /nfs/dbraw/zinc/68/62/13/775686213.db2.gz CGOMYZYXBYFGRV-UHFFFAOYSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001168310460 775687463 /nfs/dbraw/zinc/68/74/63/775687463.db2.gz NEGGWEINBHQLKH-UHFFFAOYSA-N 1 0 251.286 -1.232 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(C)n1 ZINC001168319557 775688816 /nfs/dbraw/zinc/68/88/16/775688816.db2.gz BEVAVLHTMMYXRR-UHFFFAOYSA-N 1 0 280.332 -1.173 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001272216254 775691081 /nfs/dbraw/zinc/69/10/81/775691081.db2.gz PUCKWGRTEYMAAI-WDEREUQCSA-N 1 0 294.355 -1.303 20 30 CAEDRO CC(C)C#CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001126816194 775694802 /nfs/dbraw/zinc/69/48/02/775694802.db2.gz VHVLFOPCRXPOQG-UHFFFAOYSA-N 1 0 254.290 -1.454 20 30 CAEDRO CC(C)C#CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001126834099 775698249 /nfs/dbraw/zinc/69/82/49/775698249.db2.gz JUHKJNGWCAVVPF-VIFPVBQESA-N 1 0 268.317 -1.065 20 30 CAEDRO CC(C)C#CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001126834098 775698375 /nfs/dbraw/zinc/69/83/75/775698375.db2.gz JUHKJNGWCAVVPF-SECBINFHSA-N 1 0 268.317 -1.065 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C#CC(C)C ZINC001126834561 775699217 /nfs/dbraw/zinc/69/92/17/775699217.db2.gz RUGCCRSGUJVJMW-UHFFFAOYSA-N 1 0 268.317 -1.193 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC1(O)CCC1 ZINC001126847798 775700511 /nfs/dbraw/zinc/70/05/11/775700511.db2.gz GLZKBESHCJRAMX-UHFFFAOYSA-N 1 0 267.329 -1.253 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001083502577 775704344 /nfs/dbraw/zinc/70/43/44/775704344.db2.gz LXNXPAWNCBMFJZ-UTUOFQBUSA-N 1 0 279.340 -1.351 20 30 CAEDRO O=C(C#CC1CC1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001126875728 775704458 /nfs/dbraw/zinc/70/44/58/775704458.db2.gz MCBAKMPGBUMPGP-JTQLQIEISA-N 1 0 263.297 -1.089 20 30 CAEDRO NC(=O)NC(=O)C[NH2+]CCNC(=O)C#CC1CC1 ZINC001126880815 775705138 /nfs/dbraw/zinc/70/51/38/775705138.db2.gz BIDZMPJLLZKASB-UHFFFAOYSA-N 1 0 252.274 -1.700 20 30 CAEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C#CC1CC1 ZINC001126886507 775707644 /nfs/dbraw/zinc/70/76/44/775707644.db2.gz VMAILLJFUGGYEU-SECBINFHSA-N 1 0 280.328 -1.050 20 30 CAEDRO CC(C)(C)C#CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001126893272 775707724 /nfs/dbraw/zinc/70/77/24/775707724.db2.gz JMPSNPKBUZSQJE-UHFFFAOYSA-N 1 0 268.317 -1.063 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)C#CC1CC1 ZINC001126903593 775709023 /nfs/dbraw/zinc/70/90/23/775709023.db2.gz LIVYNULLMNGVLU-UHFFFAOYSA-N 1 0 266.301 -1.439 20 30 CAEDRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C#CC1CC1 ZINC001126899286 775710116 /nfs/dbraw/zinc/71/01/16/775710116.db2.gz LPOHBVZFDXOKPA-UHFFFAOYSA-N 1 0 280.328 -1.049 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083535739 775716841 /nfs/dbraw/zinc/71/68/41/775716841.db2.gz JFPKICWSAZJXLI-RDBSUJKOSA-N 1 0 295.383 -1.372 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128400 775720622 /nfs/dbraw/zinc/72/06/22/775720622.db2.gz VPRQYNKNPPFITL-QWHCGFSZSA-N 1 0 290.367 -1.416 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083548207 775728295 /nfs/dbraw/zinc/72/82/95/775728295.db2.gz YPRSOPFUGMSBAC-ZJUUUORDSA-N 1 0 262.269 -1.410 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001076760051 775751805 /nfs/dbraw/zinc/75/18/05/775751805.db2.gz GKDQJUXFUFANAH-IJLUTSLNSA-N 1 0 268.313 -1.414 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001076811158 775761102 /nfs/dbraw/zinc/76/11/02/775761102.db2.gz BPLBPBYGLDTWSG-GMTAPVOTSA-N 1 0 252.318 -1.235 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001076838520 775764259 /nfs/dbraw/zinc/76/42/59/775764259.db2.gz BHLJMZPOROXUFH-JHJVBQTASA-N 1 0 281.356 -1.498 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001076908326 775773194 /nfs/dbraw/zinc/77/31/94/775773194.db2.gz ARJSXQKULSNFNK-JHJVBQTASA-N 1 0 281.356 -1.498 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001076908325 775774019 /nfs/dbraw/zinc/77/40/19/775774019.db2.gz ARJSXQKULSNFNK-FRRDWIJNSA-N 1 0 281.356 -1.498 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001272258365 775774642 /nfs/dbraw/zinc/77/46/42/775774642.db2.gz IFPFJNBJARGJSL-MNOVXSKESA-N 1 0 267.329 -1.458 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001076932582 775777941 /nfs/dbraw/zinc/77/79/41/775777941.db2.gz YPPOCFVMYIMMRH-CHWSQXEVSA-N 1 0 279.340 -1.351 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942142 775779182 /nfs/dbraw/zinc/77/91/82/775779182.db2.gz FDYCQGXHXDJQCD-KXUCPTDWSA-N 1 0 267.285 -1.721 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077002679 775787918 /nfs/dbraw/zinc/78/79/18/775787918.db2.gz BYBXYFJJGZDVMS-NXEZZACHSA-N 1 0 264.289 -2.142 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063168 775791932 /nfs/dbraw/zinc/79/19/32/775791932.db2.gz BFBDHIKZWCFIIK-GHMZBOCLSA-N 1 0 263.301 -1.537 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077156782 775798014 /nfs/dbraw/zinc/79/80/14/775798014.db2.gz LVWASHPSBFQFJD-IVZWLZJFSA-N 1 0 294.311 -2.231 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001077158868 775800894 /nfs/dbraw/zinc/80/08/94/775800894.db2.gz CBLBRHCCKGBUNE-HZSPNIEDSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001077220393 775805335 /nfs/dbraw/zinc/80/53/35/775805335.db2.gz LGNYPGIXEQKFLR-AAVRWANBSA-N 1 0 295.383 -1.110 20 30 CAEDRO Cn1ccc(CC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001126965349 775807149 /nfs/dbraw/zinc/80/71/49/775807149.db2.gz IAELWXPSFXXFHV-UHFFFAOYSA-N 1 0 278.316 -1.692 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264428 775809063 /nfs/dbraw/zinc/80/90/63/775809063.db2.gz ULBXXVHAVFJXNO-GHMZBOCLSA-N 1 0 295.343 -1.681 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077296978 775812912 /nfs/dbraw/zinc/81/29/12/775812912.db2.gz NKFQXPLHPGYGPQ-VXGBXAGGSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077413227 775823060 /nfs/dbraw/zinc/82/30/60/775823060.db2.gz LKOMNHVSZMXPDA-ZYHUDNBSSA-N 1 0 290.323 -1.422 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083584203 775825074 /nfs/dbraw/zinc/82/50/74/775825074.db2.gz MAUYUJLFEXXFJE-NEPJUHHUSA-N 1 0 296.371 -1.892 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586337 775825121 /nfs/dbraw/zinc/82/51/21/775825121.db2.gz ONGDYHMPDIPPHN-MNOVXSKESA-N 1 0 295.343 -1.681 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586516 775826553 /nfs/dbraw/zinc/82/65/53/775826553.db2.gz YQNWNUOAGHKAQV-MNOVXSKESA-N 1 0 293.327 -2.234 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@@H](O)C1 ZINC001083588135 775827099 /nfs/dbraw/zinc/82/70/99/775827099.db2.gz XGPBYNQLWLZOPL-RDBSUJKOSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)NCCOCC ZINC001127027770 775836616 /nfs/dbraw/zinc/83/66/16/775836616.db2.gz YOFHFZKMNKCOMJ-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001127023818 775836993 /nfs/dbraw/zinc/83/69/93/775836993.db2.gz RQLARGDOZZAQCS-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001127032193 775840271 /nfs/dbraw/zinc/84/02/71/775840271.db2.gz VMTAZALAGXAWNI-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001127032373 775840360 /nfs/dbraw/zinc/84/03/60/775840360.db2.gz XRGISYVOCGHJOJ-UHFFFAOYSA-N 1 0 298.343 -1.422 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)NCC ZINC001127032082 775840992 /nfs/dbraw/zinc/84/09/92/775840992.db2.gz RJWBLWUBYXOKHV-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127032397 775841140 /nfs/dbraw/zinc/84/11/40/775841140.db2.gz XWYQCUJOGFUXQV-UHFFFAOYSA-N 1 0 297.355 -1.409 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001127032387 775841449 /nfs/dbraw/zinc/84/14/49/775841449.db2.gz XVOOVGJDLYLHAV-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCOCCO ZINC001127045428 775841932 /nfs/dbraw/zinc/84/19/32/775841932.db2.gz APBVELSCHNYENB-NSHDSACASA-N 1 0 258.318 -1.261 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127045784 775843437 /nfs/dbraw/zinc/84/34/37/775843437.db2.gz HDSZBSJKXRTLNF-QMMMGPOBSA-N 1 0 270.289 -2.075 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001127047224 775843667 /nfs/dbraw/zinc/84/36/67/775843667.db2.gz ZLTPMEPNPLXLJM-QWRGUYRKSA-N 1 0 258.318 -1.262 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001127047226 775844016 /nfs/dbraw/zinc/84/40/16/775844016.db2.gz ZLTPMEPNPLXLJM-WDEREUQCSA-N 1 0 258.318 -1.262 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127046975 775844122 /nfs/dbraw/zinc/84/41/22/775844122.db2.gz XACRBBJKHRHXKO-SNVBAGLBSA-N 1 0 255.318 -1.181 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127046063 775844156 /nfs/dbraw/zinc/84/41/56/775844156.db2.gz KYNOPARSWDKZIS-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001127046893 775844168 /nfs/dbraw/zinc/84/41/68/775844168.db2.gz VQOYOFIOGVWFPT-VIFPVBQESA-N 1 0 284.316 -1.814 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001127051363 775844180 /nfs/dbraw/zinc/84/41/80/775844180.db2.gz HGEYQGMDNUVHOD-LLVKDONJSA-N 1 0 295.339 -1.121 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127052012 775844216 /nfs/dbraw/zinc/84/42/16/775844216.db2.gz PDTRMFPYGHNOEV-DTWKUNHWSA-N 1 0 284.316 -1.686 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001127046605 775844284 /nfs/dbraw/zinc/84/42/84/775844284.db2.gz TUAFGFDIFLIORD-NXEZZACHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001127046608 775844298 /nfs/dbraw/zinc/84/42/98/775844298.db2.gz TUAFGFDIFLIORD-ZJUUUORDSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001127052014 775844319 /nfs/dbraw/zinc/84/43/19/775844319.db2.gz PDTRMFPYGHNOEV-RKDXNWHRSA-N 1 0 284.316 -1.686 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001127056842 775845267 /nfs/dbraw/zinc/84/52/67/775845267.db2.gz LACVDHBLCAYXEM-QWHCGFSZSA-N 1 0 294.355 -1.012 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001127056843 775845294 /nfs/dbraw/zinc/84/52/94/775845294.db2.gz LACVDHBLCAYXEM-STQMWFEESA-N 1 0 294.355 -1.012 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC000912756247 775848701 /nfs/dbraw/zinc/84/87/01/775848701.db2.gz FURGOOHCMJBSIA-UHFFFAOYSA-N 1 0 290.389 -1.112 20 30 CAEDRO CN1C(=O)C(=O)N(CC(=O)NCC#CC[NH+](C)C)C1=O ZINC000913518280 775850225 /nfs/dbraw/zinc/85/02/25/775850225.db2.gz KYDBHYOSXSXIII-UHFFFAOYSA-N 1 0 280.284 -1.912 20 30 CAEDRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913522407 775850248 /nfs/dbraw/zinc/85/02/48/775850248.db2.gz IDZLLTIKFNEZQZ-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO CN(C)S(=O)(=O)CC(=O)NCC#CC[NH+](C)C ZINC000913521076 775850301 /nfs/dbraw/zinc/85/03/01/775850301.db2.gz KBBVCBZFSVJITA-UHFFFAOYSA-N 1 0 261.347 -1.441 20 30 CAEDRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC#CC[NH+](C)C ZINC000913520063 775850325 /nfs/dbraw/zinc/85/03/25/775850325.db2.gz BDMJOHKMCWMLQV-ZYHUDNBSSA-N 1 0 281.356 -1.057 20 30 CAEDRO COC(=O)c1cn(CC(=O)NCC#CC[NH+](C)C)nn1 ZINC000913519281 775850419 /nfs/dbraw/zinc/85/04/19/775850419.db2.gz UQCVYVUSGJQKQY-UHFFFAOYSA-N 1 0 279.300 -1.254 20 30 CAEDRO CCOC(=O)C[C@@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913521510 775850796 /nfs/dbraw/zinc/85/07/96/775850796.db2.gz BYJIMSAQDLSORD-SNVBAGLBSA-N 1 0 256.302 -1.018 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000913520572 775850816 /nfs/dbraw/zinc/85/08/16/775850816.db2.gz SPUQWEBCMCWAIL-UHFFFAOYSA-N 1 0 280.328 -1.362 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)c1nc2n(n1)CCCN2 ZINC000913522530 775851032 /nfs/dbraw/zinc/85/10/32/775851032.db2.gz NLMJNHZGFPCLEA-UHFFFAOYSA-N 1 0 262.317 -1.354 20 30 CAEDRO CN(C)S(=O)(=O)N(C)CC(=O)NCC#CC[NH+](C)C ZINC000913522683 775851067 /nfs/dbraw/zinc/85/10/67/775851067.db2.gz ULHZHCBVCPLFCG-UHFFFAOYSA-N 1 0 290.389 -1.594 20 30 CAEDRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC#CC[NH+](C)C ZINC000913520061 775851646 /nfs/dbraw/zinc/85/16/46/775851646.db2.gz BDMJOHKMCWMLQV-JQWIXIFHSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001127098711 775854372 /nfs/dbraw/zinc/85/43/72/775854372.db2.gz CGBDAFQSWFTCDX-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001212149808 775854848 /nfs/dbraw/zinc/85/48/48/775854848.db2.gz HJGZUCYKEBHLMN-QJPTWQEYSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212152485 775856567 /nfs/dbraw/zinc/85/65/67/775856567.db2.gz RLRNXDJANJMCHH-VXGBXAGGSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212152241 775856686 /nfs/dbraw/zinc/85/66/86/775856686.db2.gz KQIAUBNIMZJVES-GHMZBOCLSA-N 1 0 283.328 -2.066 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CO[C@@H]1CCOC1 ZINC001127134441 775863794 /nfs/dbraw/zinc/86/37/94/775863794.db2.gz LRGIFWYOZLRUES-SNVBAGLBSA-N 1 0 284.316 -1.863 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127153719 775868291 /nfs/dbraw/zinc/86/82/91/775868291.db2.gz ANAHOLSWYJJQHA-VIFPVBQESA-N 1 0 283.332 -2.112 20 30 CAEDRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001272414941 775910015 /nfs/dbraw/zinc/91/00/15/775910015.db2.gz SXSBAEDNFBDTNQ-WCBMZHEXSA-N 1 0 253.302 -1.660 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127161166 775870790 /nfs/dbraw/zinc/87/07/90/775870790.db2.gz DAFDFYWAFRQUMM-UWVGGRQHSA-N 1 0 299.375 -1.170 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@H](OC)C1 ZINC001212177954 775872611 /nfs/dbraw/zinc/87/26/11/775872611.db2.gz CDJNHGYZTSZWHR-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105965025 775873306 /nfs/dbraw/zinc/87/33/06/775873306.db2.gz ITTPDRDGXMTJSR-NXEZZACHSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001088889121 775881804 /nfs/dbraw/zinc/88/18/04/775881804.db2.gz ZQKWLDZWJPIBEC-UTLUCORTSA-N 1 0 278.312 -1.203 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001089026142 775885289 /nfs/dbraw/zinc/88/52/89/775885289.db2.gz VMKWDJAQQVSDES-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)Cc1nnc[nH]1 ZINC001272290583 775887752 /nfs/dbraw/zinc/88/77/52/775887752.db2.gz PLSWJVYOGHOSRP-UHFFFAOYSA-N 1 0 265.317 -1.219 20 30 CAEDRO C[NH+](C)CCC(=O)NC[C@@H](O)CNc1ccnc(C#N)n1 ZINC001106085501 775888435 /nfs/dbraw/zinc/88/84/35/775888435.db2.gz UNGPBNOBSZTKHV-JTQLQIEISA-N 1 0 292.343 -1.389 20 30 CAEDRO C#Cc1ccc(C(=O)N(CCO)CC[NH2+]CC(N)=O)cn1 ZINC001272295312 775889490 /nfs/dbraw/zinc/88/94/90/775889490.db2.gz PAAKCNZNRVUBCP-UHFFFAOYSA-N 1 0 290.323 -1.428 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001077499881 775892116 /nfs/dbraw/zinc/89/21/16/775892116.db2.gz QUTLMXVWESGOMV-QJPTWQEYSA-N 1 0 279.340 -1.208 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077506987 775896412 /nfs/dbraw/zinc/89/64/12/775896412.db2.gz RCXGMPNECCXWRP-HBNTYKKESA-N 1 0 267.329 -1.140 20 30 CAEDRO CCOCC(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001272352469 775896975 /nfs/dbraw/zinc/89/69/75/775896975.db2.gz VAAGKIBIBFENHF-NSHDSACASA-N 1 0 258.318 -1.261 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CCC1 ZINC001272351464 775897438 /nfs/dbraw/zinc/89/74/38/775897438.db2.gz LLZKLRHCRYJDRZ-JTQLQIEISA-N 1 0 268.317 -1.507 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC1 ZINC001272351338 775897729 /nfs/dbraw/zinc/89/77/29/775897729.db2.gz INJJYTFBOJPYLI-JTQLQIEISA-N 1 0 298.343 -1.525 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(F)F ZINC001272352904 775897889 /nfs/dbraw/zinc/89/78/89/775897889.db2.gz WOCRGIZCCTZFHF-RKDXNWHRSA-N 1 0 291.298 -1.154 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CCC1 ZINC001272352470 775897920 /nfs/dbraw/zinc/89/79/20/775897920.db2.gz VAAIOKUFGJYZSI-CMPLNLGQSA-N 1 0 281.356 -1.009 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510210 775898417 /nfs/dbraw/zinc/89/84/17/775898417.db2.gz LYBMOYBGMZCHBT-GMTAPVOTSA-N 1 0 282.344 -1.253 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510252 775898930 /nfs/dbraw/zinc/89/89/30/775898930.db2.gz NAGGFTABWQWDNI-GMTAPVOTSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccoc1 ZINC001272361273 775899410 /nfs/dbraw/zinc/89/94/10/775899410.db2.gz GPUGMCPTGRFKRV-LLVKDONJSA-N 1 0 279.296 -1.291 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510304 775899442 /nfs/dbraw/zinc/89/94/42/775899442.db2.gz OQISHXPWHFZZBX-OUAUKWLOSA-N 1 0 280.328 -1.805 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510303 775899495 /nfs/dbraw/zinc/89/94/95/775899495.db2.gz OQISHXPWHFZZBX-GMTAPVOTSA-N 1 0 280.328 -1.805 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnns1 ZINC001272370849 775899605 /nfs/dbraw/zinc/89/96/05/775899605.db2.gz HFORFSVYFVDMOK-QMMMGPOBSA-N 1 0 299.356 -1.479 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnns1 ZINC001272370848 775899684 /nfs/dbraw/zinc/89/96/84/775899684.db2.gz HFORFSVYFVDMOK-MRVPVSSYSA-N 1 0 299.356 -1.479 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001272373750 775901993 /nfs/dbraw/zinc/90/19/93/775901993.db2.gz YXJSOZCUCMUFNU-LLVKDONJSA-N 1 0 267.329 -1.397 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001272381131 775902549 /nfs/dbraw/zinc/90/25/49/775902549.db2.gz QGYANTOHHWIMBZ-GHMZBOCLSA-N 1 0 299.375 -1.080 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001272381533 775903304 /nfs/dbraw/zinc/90/33/04/775903304.db2.gz SULHDIJUPGBNNM-WPRPVWTQSA-N 1 0 266.305 -1.459 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001272381532 775904000 /nfs/dbraw/zinc/90/40/00/775904000.db2.gz SULHDIJUPGBNNM-WCBMZHEXSA-N 1 0 266.305 -1.459 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=CCCC1 ZINC001272397748 775904751 /nfs/dbraw/zinc/90/47/51/775904751.db2.gz LBHIYHJZGBVHFB-LBPRGKRZSA-N 1 0 279.340 -1.087 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001272398329 775905399 /nfs/dbraw/zinc/90/53/99/775905399.db2.gz OVGPVGZDDAGRQZ-SNVBAGLBSA-N 1 0 295.343 -1.597 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=CCCC1 ZINC001272397747 775905914 /nfs/dbraw/zinc/90/59/14/775905914.db2.gz LBHIYHJZGBVHFB-GFCCVEGCSA-N 1 0 279.340 -1.087 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001272399545 775907599 /nfs/dbraw/zinc/90/75/99/775907599.db2.gz XSPNOLYCSIJAMP-NWDGAFQWSA-N 1 0 295.343 -1.444 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001272406822 775907738 /nfs/dbraw/zinc/90/77/38/775907738.db2.gz QRHPJEMEHATITK-IUCAKERBSA-N 1 0 257.290 -1.262 20 30 CAEDRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001272414938 775908926 /nfs/dbraw/zinc/90/89/26/775908926.db2.gz SXSBAEDNFBDTNQ-PSASIEDQSA-N 1 0 253.302 -1.660 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001272413429 775909139 /nfs/dbraw/zinc/90/91/39/775909139.db2.gz CSTDWKFIAJJAMG-MNOVXSKESA-N 1 0 285.344 -1.820 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001272426086 775909213 /nfs/dbraw/zinc/90/92/13/775909213.db2.gz RBYQIQIFCMUFNL-SNVBAGLBSA-N 1 0 279.300 -1.665 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001077514483 775909974 /nfs/dbraw/zinc/90/99/74/775909974.db2.gz XGBGETBIPRGURU-MWLCHTKSSA-N 1 0 278.312 -1.076 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001272443716 775910704 /nfs/dbraw/zinc/91/07/04/775910704.db2.gz OSHSCVIPUBFLIE-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001272443110 775910988 /nfs/dbraw/zinc/91/09/88/775910988.db2.gz LDDJPRARADVXNZ-VIFPVBQESA-N 1 0 250.258 -1.504 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001272443717 775910997 /nfs/dbraw/zinc/91/09/97/775910997.db2.gz OSHSCVIPUBFLIE-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1=O ZINC001272435105 775911618 /nfs/dbraw/zinc/91/16/18/775911618.db2.gz OXFLXCXCCQCGET-LLVKDONJSA-N 1 0 283.328 -2.065 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN(C)S(C)(=O)=O ZINC001272435537 775912131 /nfs/dbraw/zinc/91/21/31/775912131.db2.gz UBTWGTUXEXFYOH-JTQLQIEISA-N 1 0 291.373 -2.032 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCOC ZINC001272444069 775913123 /nfs/dbraw/zinc/91/31/23/775913123.db2.gz RIQSLDUATQJCAP-STQMWFEESA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)COCc1nccn1C ZINC001272444485 775913302 /nfs/dbraw/zinc/91/33/02/775913302.db2.gz UOTFCICXSSMHDR-NSHDSACASA-N 1 0 280.328 -1.363 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001272444154 775913481 /nfs/dbraw/zinc/91/34/81/775913481.db2.gz SICXYRNCODIKKR-RYUDHWBXSA-N 1 0 269.345 -1.857 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001272444394 775913927 /nfs/dbraw/zinc/91/39/27/775913927.db2.gz TZJDEMWGRVLMTR-VHSXEESVSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700476 775917599 /nfs/dbraw/zinc/91/75/99/775917599.db2.gz NAGGFTABWQWDNI-VWYCJHECSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700524 775919225 /nfs/dbraw/zinc/91/92/25/775919225.db2.gz OQISHXPWHFZZBX-MXWKQRLJSA-N 1 0 280.328 -1.805 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001272487957 775920629 /nfs/dbraw/zinc/92/06/29/775920629.db2.gz JKZBCZXJKKGHQT-SNVBAGLBSA-N 1 0 283.332 -1.775 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001272488626 775920760 /nfs/dbraw/zinc/92/07/60/775920760.db2.gz PUDYELVSLXCLBA-WDEREUQCSA-N 1 0 288.369 -1.346 20 30 CAEDRO Cc1cocc1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272497334 775922486 /nfs/dbraw/zinc/92/24/86/775922486.db2.gz WMWUGOJLBSJSDG-SNVBAGLBSA-N 1 0 294.311 -1.092 20 30 CAEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001272497495 775922598 /nfs/dbraw/zinc/92/25/98/775922598.db2.gz XTTVGNAAYLTZIN-MRVPVSSYSA-N 1 0 286.332 -1.540 20 30 CAEDRO CC(C)[C@@H](F)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272496125 775922817 /nfs/dbraw/zinc/92/28/17/775922817.db2.gz LQXHCQGXURBVJO-GXSJLCMTSA-N 1 0 288.323 -1.313 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001272505084 775924524 /nfs/dbraw/zinc/92/45/24/775924524.db2.gz SQQICNTYXILDQT-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272504838 775924534 /nfs/dbraw/zinc/92/45/34/775924534.db2.gz RATCUCXQTASLKN-RKDXNWHRSA-N 1 0 256.306 -1.689 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001077521985 775924595 /nfs/dbraw/zinc/92/45/95/775924595.db2.gz ZNPDGCQJTOHQMM-GRYCIOLGSA-N 1 0 279.340 -1.208 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1conc1C ZINC001272511893 775925654 /nfs/dbraw/zinc/92/56/54/775925654.db2.gz GTUAZJSUWHCWBK-SNVBAGLBSA-N 1 0 294.311 -1.587 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001106136250 775926092 /nfs/dbraw/zinc/92/60/92/775926092.db2.gz YSYKPMFZCMGODV-GHMZBOCLSA-N 1 0 262.317 -1.010 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001083707892 775926153 /nfs/dbraw/zinc/92/61/53/775926153.db2.gz ZNPDGCQJTOHQMM-WOPDTQHZSA-N 1 0 279.340 -1.208 20 30 CAEDRO N#Cc1ccccc1C[NH2+]C[C@@H](O)CNC(=O)C(N)=O ZINC001272513342 775927208 /nfs/dbraw/zinc/92/72/08/775927208.db2.gz OTQUIJSUNKPFNC-LLVKDONJSA-N 1 0 276.296 -1.390 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O)c1 ZINC001272521215 775927597 /nfs/dbraw/zinc/92/75/97/775927597.db2.gz OICQSGNPMYMIBE-BXKDBHETSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001272536526 775929518 /nfs/dbraw/zinc/92/95/18/775929518.db2.gz GENBKGYLGOOWCB-RWMBFGLXSA-N 1 0 293.367 -1.151 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001272536491 775930204 /nfs/dbraw/zinc/93/02/04/775930204.db2.gz FNZRDUAQWQOBOP-SECBINFHSA-N 1 0 294.311 -2.603 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001272538061 775930269 /nfs/dbraw/zinc/93/02/69/775930269.db2.gz ZUFHHBNNYLYPQO-SECBINFHSA-N 1 0 293.389 -1.433 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001272536563 775930361 /nfs/dbraw/zinc/93/03/61/775930361.db2.gz GXPQFACDGZTKNP-SECBINFHSA-N 1 0 276.358 -1.491 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001272554735 775932422 /nfs/dbraw/zinc/93/24/22/775932422.db2.gz WHDKRNRFXWYDFP-GFCCVEGCSA-N 1 0 292.339 -1.440 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001272554737 775932434 /nfs/dbraw/zinc/93/24/34/775932434.db2.gz WHDKRNRFXWYDFP-LBPRGKRZSA-N 1 0 292.339 -1.440 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001272559791 775933319 /nfs/dbraw/zinc/93/33/19/775933319.db2.gz LHQQWMNGJGKVGD-VIFPVBQESA-N 1 0 284.316 -1.867 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001272560784 775933545 /nfs/dbraw/zinc/93/35/45/775933545.db2.gz TZJNRVMKFANAOJ-SECBINFHSA-N 1 0 253.306 -1.010 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001272554398 775934685 /nfs/dbraw/zinc/93/46/85/775934685.db2.gz VCJAUXPARFUCSF-VIFPVBQESA-N 1 0 264.285 -1.573 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001272566983 775936383 /nfs/dbraw/zinc/93/63/83/775936383.db2.gz IUKNSQOMXPINIJ-SNVBAGLBSA-N 1 0 281.316 -2.410 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526683 775937553 /nfs/dbraw/zinc/93/75/53/775937553.db2.gz VSGLRFWBVMFXCA-HTQZYQBOSA-N 1 0 252.278 -1.829 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083710915 775937916 /nfs/dbraw/zinc/93/79/16/775937916.db2.gz PTMLLDMZOAFSLY-AXFHLTTASA-N 1 0 265.313 -1.741 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083710624 775938637 /nfs/dbraw/zinc/93/86/37/775938637.db2.gz IUKJJUCETBWROK-MXWKQRLJSA-N 1 0 267.329 -1.188 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526723 775939012 /nfs/dbraw/zinc/93/90/12/775939012.db2.gz XKGKQRTXQSRSHA-RKDXNWHRSA-N 1 0 264.289 -1.992 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001272574267 775939751 /nfs/dbraw/zinc/93/97/51/775939751.db2.gz GMGCURNEQBHPKK-MRVPVSSYSA-N 1 0 270.289 -2.209 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001272574795 775940799 /nfs/dbraw/zinc/94/07/99/775940799.db2.gz KRRMXFFAUPFCNA-JTQLQIEISA-N 1 0 278.312 -1.516 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001272575861 775942029 /nfs/dbraw/zinc/94/20/29/775942029.db2.gz SAXUXMHYGRFTTN-UWVGGRQHSA-N 1 0 296.327 -1.935 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001272575809 775942299 /nfs/dbraw/zinc/94/22/99/775942299.db2.gz RDANMHLTFJVRCQ-SNVBAGLBSA-N 1 0 296.327 -2.030 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C(=O)Nc1cc(C)on1 ZINC001272575680 775942472 /nfs/dbraw/zinc/94/24/72/775942472.db2.gz QVBKEFUDPLKCED-VIFPVBQESA-N 1 0 280.284 -1.379 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001272582661 775946421 /nfs/dbraw/zinc/94/64/21/775946421.db2.gz BKPBQRJTDWHKEG-VXGBXAGGSA-N 1 0 291.355 -1.070 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001272582654 775946675 /nfs/dbraw/zinc/94/66/75/775946675.db2.gz BKPBQRJTDWHKEG-NEPJUHHUSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCOC ZINC001122393440 775948706 /nfs/dbraw/zinc/94/87/06/775948706.db2.gz FPNWCFNQTISDCH-UHFFFAOYSA-N 1 0 286.332 -1.260 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001077534835 775950890 /nfs/dbraw/zinc/95/08/90/775950890.db2.gz LTTLWDIHSZKXKO-IJLUTSLNSA-N 1 0 279.340 -1.351 20 30 CAEDRO CC(=O)NC(C)(C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001168481196 775953291 /nfs/dbraw/zinc/95/32/91/775953291.db2.gz PKIIMFHELXDVLB-UHFFFAOYSA-N 1 0 297.359 -1.363 20 30 CAEDRO CC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001122667642 775953843 /nfs/dbraw/zinc/95/38/43/775953843.db2.gz JWXQRRLPZIMDFZ-UHFFFAOYSA-N 1 0 255.278 -2.532 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1cn(C)nn1 ZINC001272593350 775955187 /nfs/dbraw/zinc/95/51/87/775955187.db2.gz WVHZHPZRKBQUHB-NSHDSACASA-N 1 0 265.317 -1.552 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001272592614 775955275 /nfs/dbraw/zinc/95/52/75/775955275.db2.gz OTHASOKBRITCIS-GHMZBOCLSA-N 1 0 290.385 -1.243 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106614450 775958993 /nfs/dbraw/zinc/95/89/93/775958993.db2.gz MDXCXCIJZLHTGZ-GHMZBOCLSA-N 1 0 267.329 -1.194 20 30 CAEDRO CC(=O)NCC(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001272618955 775961673 /nfs/dbraw/zinc/96/16/73/775961673.db2.gz APGAASGGZKOGMR-VIFPVBQESA-N 1 0 283.332 -1.753 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO1 ZINC001123142954 775963040 /nfs/dbraw/zinc/96/30/40/775963040.db2.gz BNIPOMQVNLPWRY-JTQLQIEISA-N 1 0 298.343 -1.117 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001168503462 775964950 /nfs/dbraw/zinc/96/49/50/775964950.db2.gz KRJBIHUZRGDWPE-NSHDSACASA-N 1 0 282.344 -1.514 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741058 775966634 /nfs/dbraw/zinc/96/66/34/775966634.db2.gz XDIKHPZJAHGAEK-HLTSFMKQSA-N 1 0 254.290 -1.985 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741062 775967150 /nfs/dbraw/zinc/96/71/50/775967150.db2.gz XDYPISGOJNEPHI-AEJSXWLSSA-N 1 0 266.301 -2.148 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001168504033 775967608 /nfs/dbraw/zinc/96/76/08/775967608.db2.gz PCWRDLLXDUEABZ-LBPRGKRZSA-N 1 0 296.371 -1.124 20 30 CAEDRO N#Cc1cccc(CN2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744058 775971534 /nfs/dbraw/zinc/97/15/34/775971534.db2.gz VAZOCQYULJHDRG-NEPJUHHUSA-N 1 0 288.307 -1.295 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168513695 775974546 /nfs/dbraw/zinc/97/45/46/775974546.db2.gz PZBKAUDYFIXEDF-UHFFFAOYSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001077546074 775977256 /nfs/dbraw/zinc/97/72/56/775977256.db2.gz LXSXIYDLLQLNHT-NXEZZACHSA-N 1 0 276.296 -1.101 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001280566096 775978078 /nfs/dbraw/zinc/97/80/78/775978078.db2.gz KYRHKIBHYRIMCK-NEPJUHHUSA-N 1 0 285.344 -1.028 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127433312 775979463 /nfs/dbraw/zinc/97/94/63/775979463.db2.gz KWIQUJFRJKZXBR-UHFFFAOYSA-N 1 0 266.265 -2.981 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001123792445 775981164 /nfs/dbraw/zinc/98/11/64/775981164.db2.gz XTCCFMJTYXVBNV-MRVPVSSYSA-N 1 0 284.341 -1.246 20 30 CAEDRO COC[C@@H](O)C[NH2+]CCNC(=O)CSCC#N ZINC001123791980 775981312 /nfs/dbraw/zinc/98/13/12/775981312.db2.gz CAWNKJOWGYLVGA-VIFPVBQESA-N 1 0 261.347 -1.044 20 30 CAEDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC(O)(CC#N)C1 ZINC001123788560 775981461 /nfs/dbraw/zinc/98/14/61/775981461.db2.gz BLLUZZRDUKKOOV-WDEREUQCSA-N 1 0 264.329 -1.138 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127443586 775984648 /nfs/dbraw/zinc/98/46/48/775984648.db2.gz XVHPYKKSXCIGDW-VIFPVBQESA-N 1 0 279.304 -2.483 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)ncn1 ZINC001127459059 775986671 /nfs/dbraw/zinc/98/66/71/775986671.db2.gz VDDBALMCKCQGBO-UHFFFAOYSA-N 1 0 291.311 -1.446 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCC ZINC001123963454 775989479 /nfs/dbraw/zinc/98/94/79/775989479.db2.gz WZLPCFZWNWBAGG-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123963173 775990025 /nfs/dbraw/zinc/99/00/25/775990025.db2.gz OPHRYQXUGCWXHD-VIFPVBQESA-N 1 0 256.306 -1.243 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212257990 775990557 /nfs/dbraw/zinc/99/05/57/775990557.db2.gz LBCICGUHZOAULB-VXGBXAGGSA-N 1 0 270.329 -1.166 20 30 CAEDRO COCCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124088604 775992281 /nfs/dbraw/zinc/99/22/81/775992281.db2.gz GZJIVKIMTBRZPB-UHFFFAOYSA-N 1 0 256.306 -1.241 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124088621 775993259 /nfs/dbraw/zinc/99/32/59/775993259.db2.gz HSIMUWBOBYWETD-JTQLQIEISA-N 1 0 296.371 -1.091 20 30 CAEDRO CCO[C@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124141435 775994200 /nfs/dbraw/zinc/99/42/00/775994200.db2.gz UWLOXSBUQIMBGP-ZJUUUORDSA-N 1 0 268.317 -1.243 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnsn1 ZINC001124155093 775995026 /nfs/dbraw/zinc/99/50/26/775995026.db2.gz UJCSAKUKZHULKN-UHFFFAOYSA-N 1 0 268.302 -1.503 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)c1ccnn1C ZINC001127582720 775995151 /nfs/dbraw/zinc/99/51/51/775995151.db2.gz JNGMZCWVDIYUDE-NSHDSACASA-N 1 0 291.355 -1.021 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)n[nH]1 ZINC001124233556 775997448 /nfs/dbraw/zinc/99/74/48/775997448.db2.gz MIAXKDNXYIGDKM-UHFFFAOYSA-N 1 0 263.301 -1.213 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653341 775999315 /nfs/dbraw/zinc/99/93/15/775999315.db2.gz SWRJDHXPPZEUST-UHFFFAOYSA-N 1 0 296.331 -1.715 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CCC ZINC001124343612 776000027 /nfs/dbraw/zinc/00/00/27/776000027.db2.gz CXKOIIBCIRKXIE-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127690683 776002780 /nfs/dbraw/zinc/00/27/80/776002780.db2.gz PVKSXYQKIOUSPI-UHFFFAOYSA-N 1 0 264.289 -1.894 20 30 CAEDRO CCCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124483075 776004041 /nfs/dbraw/zinc/00/40/41/776004041.db2.gz KGRQHPDZFJCTAG-UHFFFAOYSA-N 1 0 256.306 -1.241 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124495913 776004163 /nfs/dbraw/zinc/00/41/63/776004163.db2.gz SUQIENWNWFZINM-SECBINFHSA-N 1 0 254.290 -1.632 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047433659 776004976 /nfs/dbraw/zinc/00/49/76/776004976.db2.gz FZPOJVYPAUEBJV-QWRGUYRKSA-N 1 0 295.343 -1.729 20 30 CAEDRO CO[C@H](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124621427 776006804 /nfs/dbraw/zinc/00/68/04/776006804.db2.gz MKWCLAKERQYREC-SECBINFHSA-N 1 0 256.306 -1.243 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083775342 776008347 /nfs/dbraw/zinc/00/83/47/776008347.db2.gz QXRCFDFNAANCON-SUNKGSAMSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001124664550 776009224 /nfs/dbraw/zinc/00/92/24/776009224.db2.gz XKLXIRNBRVEPEG-ZJUUUORDSA-N 1 0 283.328 -1.197 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001124664548 776009322 /nfs/dbraw/zinc/00/93/22/776009322.db2.gz XKLXIRNBRVEPEG-UWVGGRQHSA-N 1 0 283.328 -1.197 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001124764961 776010840 /nfs/dbraw/zinc/01/08/40/776010840.db2.gz GOKLICPXSDQSIQ-UHFFFAOYSA-N 1 0 264.347 -1.061 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001124765015 776011116 /nfs/dbraw/zinc/01/11/16/776011116.db2.gz HXZKIEZHCWJCST-UHFFFAOYSA-N 1 0 298.343 -2.147 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125090905 776026217 /nfs/dbraw/zinc/02/62/17/776026217.db2.gz VPLHLXVBBYLAOK-QMMMGPOBSA-N 1 0 254.290 -2.295 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124767338 776012470 /nfs/dbraw/zinc/01/24/70/776012470.db2.gz CCKNDSZUGJEKGD-VIFPVBQESA-N 1 0 269.301 -1.300 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001124773402 776013787 /nfs/dbraw/zinc/01/37/87/776013787.db2.gz QYNQOPMLDVBCEI-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804844 776013842 /nfs/dbraw/zinc/01/38/42/776013842.db2.gz MWWAHDCDQDNGMZ-VHSXEESVSA-N 1 0 280.328 -1.891 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C)[nH]1 ZINC001124825802 776014180 /nfs/dbraw/zinc/01/41/80/776014180.db2.gz UNTZNGOITRKBNH-UHFFFAOYSA-N 1 0 263.301 -1.213 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001106994798 776014382 /nfs/dbraw/zinc/01/43/82/776014382.db2.gz SGJUBYNDZKAXLS-GHMZBOCLSA-N 1 0 287.385 -1.147 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001124888152 776016463 /nfs/dbraw/zinc/01/64/63/776016463.db2.gz FJFJMPQOUOISDZ-SNVBAGLBSA-N 1 0 268.317 -1.289 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CC ZINC001124882986 776016516 /nfs/dbraw/zinc/01/65/16/776016516.db2.gz KKFSQYXTISRUMS-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001124895747 776017173 /nfs/dbraw/zinc/01/71/73/776017173.db2.gz JDLBAKBUCDTOJF-JTQLQIEISA-N 1 0 288.373 -1.113 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124901939 776017207 /nfs/dbraw/zinc/01/72/07/776017207.db2.gz FNCNYGWAFOAYJJ-ZJUUUORDSA-N 1 0 296.327 -1.638 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001124898060 776017376 /nfs/dbraw/zinc/01/73/76/776017376.db2.gz YERHNQGYMBMBJC-HTQZYQBOSA-N 1 0 252.274 -1.343 20 30 CAEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908981 776017465 /nfs/dbraw/zinc/01/74/65/776017465.db2.gz XEALQWFWGAXEAA-YUMQZZPRSA-N 1 0 269.305 -1.304 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124901935 776017507 /nfs/dbraw/zinc/01/75/07/776017507.db2.gz FNCNYGWAFOAYJJ-UWVGGRQHSA-N 1 0 296.327 -1.638 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001124908687 776017711 /nfs/dbraw/zinc/01/77/11/776017711.db2.gz PDQOCIKEOGPTMH-ZJUUUORDSA-N 1 0 297.359 -1.555 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001124908685 776017915 /nfs/dbraw/zinc/01/79/15/776017915.db2.gz PDQOCIKEOGPTMH-UWVGGRQHSA-N 1 0 297.359 -1.555 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001124903938 776018009 /nfs/dbraw/zinc/01/80/09/776018009.db2.gz UQZKUHUDQZWHLT-MRVPVSSYSA-N 1 0 267.289 -1.596 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124903945 776018021 /nfs/dbraw/zinc/01/80/21/776018021.db2.gz URIFGEVTYZHHCS-QMMMGPOBSA-N 1 0 262.335 -1.599 20 30 CAEDRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124896089 776018050 /nfs/dbraw/zinc/01/80/50/776018050.db2.gz LRIPLZQLVQOEAW-MNOVXSKESA-N 1 0 273.333 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(C)on1 ZINC001124999568 776021980 /nfs/dbraw/zinc/02/19/80/776021980.db2.gz UYNLVWAPFKVLOQ-UHFFFAOYSA-N 1 0 278.312 -1.019 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CC(N)=O ZINC001125079704 776024239 /nfs/dbraw/zinc/02/42/39/776024239.db2.gz GNJZRGKTIFURRK-UHFFFAOYSA-N 1 0 283.332 -1.670 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125090479 776025102 /nfs/dbraw/zinc/02/51/02/776025102.db2.gz LIUPYDMKJWNQBM-MRVPVSSYSA-N 1 0 256.306 -1.742 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125090480 776026116 /nfs/dbraw/zinc/02/61/16/776026116.db2.gz LIUPYDMKJWNQBM-QMMMGPOBSA-N 1 0 256.306 -1.742 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125090904 776026202 /nfs/dbraw/zinc/02/62/02/776026202.db2.gz VPLHLXVBBYLAOK-MRVPVSSYSA-N 1 0 254.290 -2.295 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125170109 776027358 /nfs/dbraw/zinc/02/73/58/776027358.db2.gz RMINUBYMNFNAIQ-UHFFFAOYSA-N 1 0 280.332 -1.255 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCOC1 ZINC001125118208 776027619 /nfs/dbraw/zinc/02/76/19/776027619.db2.gz GEDCVEOEQNYPKL-SNVBAGLBSA-N 1 0 268.317 -1.241 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCOC1 ZINC001125118207 776027812 /nfs/dbraw/zinc/02/78/12/776027812.db2.gz GEDCVEOEQNYPKL-JTQLQIEISA-N 1 0 268.317 -1.241 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccon1 ZINC001125104399 776028102 /nfs/dbraw/zinc/02/81/02/776028102.db2.gz XNXOPOHQCPDADV-UHFFFAOYSA-N 1 0 265.273 -1.437 20 30 CAEDRO CCn1ccc(CC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001127725904 776034351 /nfs/dbraw/zinc/03/43/51/776034351.db2.gz MPFIDLUZTLNAHR-UHFFFAOYSA-N 1 0 292.343 -1.209 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@]12C[C@H]1COC2 ZINC001127743729 776038525 /nfs/dbraw/zinc/03/85/25/776038525.db2.gz QKEPXTSCGUXIOP-CABZTGNLSA-N 1 0 266.301 -1.632 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077599085 776040197 /nfs/dbraw/zinc/04/01/97/776040197.db2.gz NCJXNICQZHAYIS-OPRDCNLKSA-N 1 0 268.317 -1.595 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783634 776040234 /nfs/dbraw/zinc/04/02/34/776040234.db2.gz CGNGLSGBEWVGJS-YTWAJWBKSA-N 1 0 267.329 -1.155 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598954 776040630 /nfs/dbraw/zinc/04/06/30/776040630.db2.gz IWYDLACSCOKXTL-IVZWLZJFSA-N 1 0 266.301 -2.148 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077600654 776043337 /nfs/dbraw/zinc/04/33/37/776043337.db2.gz SWPCXDHCPPVTTR-IVZWLZJFSA-N 1 0 268.317 -1.595 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077599400 776043523 /nfs/dbraw/zinc/04/35/23/776043523.db2.gz WOIRNMDZHWNCBE-HBNTYKKESA-N 1 0 282.344 -1.205 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001083784773 776050466 /nfs/dbraw/zinc/05/04/66/776050466.db2.gz NMULISFISGDIAK-NEPJUHHUSA-N 1 0 290.323 -1.088 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC001083785329 776054601 /nfs/dbraw/zinc/05/46/01/776054601.db2.gz SGRRKSFEVNWTRH-KXNHARMFSA-N 1 0 279.340 -1.318 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001077667220 776055589 /nfs/dbraw/zinc/05/55/89/776055589.db2.gz QXRCFDFNAANCON-GYSYKLTISA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077668599 776055625 /nfs/dbraw/zinc/05/56/25/776055625.db2.gz HIKHUAPRSNOUPR-WISYIIOYSA-N 1 0 295.339 -1.796 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077687661 776059129 /nfs/dbraw/zinc/05/91/29/776059129.db2.gz SBGLKGDWUSJLJI-LMLFDSFASA-N 1 0 265.313 -1.708 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077698906 776060299 /nfs/dbraw/zinc/06/02/99/776060299.db2.gz GJALDBYDIJUZJJ-KKOKHZNYSA-N 1 0 270.329 -1.269 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001127860534 776061958 /nfs/dbraw/zinc/06/19/58/776061958.db2.gz QALDVPGKMOWKFE-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077753428 776065847 /nfs/dbraw/zinc/06/58/47/776065847.db2.gz FQKQBOBCNWLZAZ-DJLDLDEBSA-N 1 0 280.284 -2.621 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 ZINC001077783586 776070455 /nfs/dbraw/zinc/07/04/55/776070455.db2.gz NRYCCUMDRDCNDT-GHMZBOCLSA-N 1 0 276.296 -1.107 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)nn1 ZINC001077801298 776072290 /nfs/dbraw/zinc/07/22/90/776072290.db2.gz LDTGYYCRNLDEHU-ZYHUDNBSSA-N 1 0 295.343 -1.379 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)CC ZINC001127946244 776073201 /nfs/dbraw/zinc/07/32/01/776073201.db2.gz ITXVPXGJKTWKAR-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127968329 776074003 /nfs/dbraw/zinc/07/40/03/776074003.db2.gz ZFWKXEISIFFMBT-VIFPVBQESA-N 1 0 299.331 -2.517 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127966759 776075220 /nfs/dbraw/zinc/07/52/20/776075220.db2.gz GFCWGDARDQZCRP-SNVBAGLBSA-N 1 0 298.343 -2.407 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127995517 776080259 /nfs/dbraw/zinc/08/02/59/776080259.db2.gz ZFWXAVICZMMIGU-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127999147 776080364 /nfs/dbraw/zinc/08/03/64/776080364.db2.gz KQVAWTRKIDGZPQ-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127999149 776080601 /nfs/dbraw/zinc/08/06/01/776080601.db2.gz KQVAWTRKIDGZPQ-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127992376 776080657 /nfs/dbraw/zinc/08/06/57/776080657.db2.gz CUMXMOVAYYIJIY-LLVKDONJSA-N 1 0 285.344 -1.507 20 30 CAEDRO C=CCNC(=O)CN1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099611414 776084536 /nfs/dbraw/zinc/08/45/36/776084536.db2.gz QOBFYRNZWZFLFU-MNOVXSKESA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001077826799 776087572 /nfs/dbraw/zinc/08/75/72/776087572.db2.gz SEOBRCMCZWWUCW-IJLUTSLNSA-N 1 0 279.340 -1.160 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128104172 776101886 /nfs/dbraw/zinc/10/18/86/776101886.db2.gz HTZWPJWSXKRABT-UHFFFAOYSA-N 1 0 276.358 -1.061 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128108078 776104152 /nfs/dbraw/zinc/10/41/52/776104152.db2.gz JRUGDNRDBSYQID-UHFFFAOYSA-N 1 0 288.329 -2.623 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001214471995 776112303 /nfs/dbraw/zinc/11/23/03/776112303.db2.gz GZIFNHGNIBAQRD-NXEZZACHSA-N 1 0 280.328 -1.952 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118085 776115902 /nfs/dbraw/zinc/11/59/02/776115902.db2.gz WSQARRRCCGCGTI-WDEREUQCSA-N 1 0 294.355 -1.213 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001078105561 776118242 /nfs/dbraw/zinc/11/82/42/776118242.db2.gz GBAUBOTVGIQGER-UPJWGTAASA-N 1 0 297.355 -1.419 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001078105583 776118587 /nfs/dbraw/zinc/11/85/87/776118587.db2.gz GSCFTAJCPOTRTG-JHJVBQTASA-N 1 0 295.339 -1.972 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001078134374 776125613 /nfs/dbraw/zinc/12/56/13/776125613.db2.gz WUBQVKAEFZRVGJ-VXGBXAGGSA-N 1 0 290.323 -1.422 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078150965 776125701 /nfs/dbraw/zinc/12/57/01/776125701.db2.gz ZPKUNLVLMKODPL-GHMZBOCLSA-N 1 0 295.339 -1.127 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144351 776128226 /nfs/dbraw/zinc/12/82/26/776128226.db2.gz KVGWUWXOSDXQSA-NXEZZACHSA-N 1 0 294.311 -2.277 20 30 CAEDRO N#CCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179201 776128901 /nfs/dbraw/zinc/12/89/01/776128901.db2.gz YVRDNSQGXNYFIZ-GHMZBOCLSA-N 1 0 252.318 -1.233 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099635641 776139449 /nfs/dbraw/zinc/13/94/49/776139449.db2.gz HGVLOAQOXFQBEH-VXGBXAGGSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1nccn1 ZINC001128269361 776154885 /nfs/dbraw/zinc/15/48/85/776154885.db2.gz JMMMGEBMZKNYSV-UHFFFAOYSA-N 1 0 266.305 -1.714 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1ccn(C)n1 ZINC001128464386 776170642 /nfs/dbraw/zinc/17/06/42/776170642.db2.gz LCGBNWMTZMXWEY-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO Cn1ccc(CCC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001128464807 776170678 /nfs/dbraw/zinc/17/06/78/776170678.db2.gz VQSVSFNFMMOMHG-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650693 776175152 /nfs/dbraw/zinc/17/51/52/776175152.db2.gz JBILZXLWXBSLPV-ZJUUUORDSA-N 1 0 268.317 -1.771 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820385 776175202 /nfs/dbraw/zinc/17/52/02/776175202.db2.gz JHKYEIAZYZDYCE-AEJSXWLSSA-N 1 0 296.327 -1.678 20 30 CAEDRO Cn1nccc1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128481507 776175435 /nfs/dbraw/zinc/17/54/35/776175435.db2.gz RTGBBKMKXOMCCF-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054571 776176687 /nfs/dbraw/zinc/17/66/87/776176687.db2.gz KIZBFYJBJTYWCI-WDEREUQCSA-N 1 0 278.316 -1.752 20 30 CAEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054781 776176902 /nfs/dbraw/zinc/17/69/02/776176902.db2.gz MEPWPMLKRZRHIO-QWRGUYRKSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054782 776176969 /nfs/dbraw/zinc/17/69/69/776176969.db2.gz MEPWPMLKRZRHIO-WDEREUQCSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054780 776177374 /nfs/dbraw/zinc/17/73/74/776177374.db2.gz MEPWPMLKRZRHIO-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054569 776177404 /nfs/dbraw/zinc/17/74/04/776177404.db2.gz KIZBFYJBJTYWCI-MNOVXSKESA-N 1 0 278.316 -1.752 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651403 776179190 /nfs/dbraw/zinc/17/91/90/776179190.db2.gz UJQPDIGPBLSACH-VHSXEESVSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090059380 776179252 /nfs/dbraw/zinc/17/92/52/776179252.db2.gz GHVYQCDQDOKWAZ-NWDGAFQWSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090059383 776179445 /nfs/dbraw/zinc/17/94/45/776179445.db2.gz GHVYQCDQDOKWAZ-VXGBXAGGSA-N 1 0 279.340 -1.207 20 30 CAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099652458 776180243 /nfs/dbraw/zinc/18/02/43/776180243.db2.gz ZPVMYLSLALRQSP-UWVGGRQHSA-N 1 0 270.333 -1.218 20 30 CAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099652463 776181021 /nfs/dbraw/zinc/18/10/21/776181021.db2.gz ZPVMYLSLALRQSP-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099652454 776181044 /nfs/dbraw/zinc/18/10/44/776181044.db2.gz ZPVMYLSLALRQSP-NXEZZACHSA-N 1 0 270.333 -1.218 20 30 CAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099652460 776181203 /nfs/dbraw/zinc/18/12/03/776181203.db2.gz ZPVMYLSLALRQSP-VHSXEESVSA-N 1 0 270.333 -1.218 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)Cn2cnnn2)CCC1 ZINC001273040012 776185710 /nfs/dbraw/zinc/18/57/10/776185710.db2.gz ARQSZABQXLOYMB-UHFFFAOYSA-N 1 0 292.343 -1.049 20 30 CAEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001273051973 776186898 /nfs/dbraw/zinc/18/68/98/776186898.db2.gz ICSMFFRVDPXLNO-JTQLQIEISA-N 1 0 292.339 -1.185 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)nn1 ZINC001083843717 776189077 /nfs/dbraw/zinc/18/90/77/776189077.db2.gz VJYDXGHOBZYTAF-UMNHJUIQSA-N 1 0 295.343 -1.380 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666164 776194375 /nfs/dbraw/zinc/19/43/75/776194375.db2.gz QUUGDPXHIHSCTP-DTWKUNHWSA-N 1 0 256.306 -1.608 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603154 776199724 /nfs/dbraw/zinc/19/97/24/776199724.db2.gz BBXUNNJYAFPVTQ-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC001128619338 776200339 /nfs/dbraw/zinc/20/03/39/776200339.db2.gz UZJUVCGJTMZHPH-UHFFFAOYSA-N 1 0 298.343 -2.454 20 30 CAEDRO COCC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128619036 776200386 /nfs/dbraw/zinc/20/03/86/776200386.db2.gz KOQNLJHOHCAOND-UHFFFAOYSA-N 1 0 299.331 -2.563 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128609043 776201042 /nfs/dbraw/zinc/20/10/42/776201042.db2.gz LRVYYVRHJWWKQI-UHFFFAOYSA-N 1 0 293.389 -1.166 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN(C)C(=O)C1CC1 ZINC001128613894 776201367 /nfs/dbraw/zinc/20/13/67/776201367.db2.gz KKLKIJXHPONPPV-UHFFFAOYSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001128642850 776202081 /nfs/dbraw/zinc/20/20/81/776202081.db2.gz BCFVDGPHWQIVET-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001128644166 776202118 /nfs/dbraw/zinc/20/21/18/776202118.db2.gz PEEKXYGFYQPXEB-NSHDSACASA-N 1 0 267.329 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128664247 776203265 /nfs/dbraw/zinc/20/32/65/776203265.db2.gz CEASMWYBOCSLSV-JTQLQIEISA-N 1 0 280.328 -2.080 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128664256 776203933 /nfs/dbraw/zinc/20/39/33/776203933.db2.gz CJTWFJPNNRAMMT-NSHDSACASA-N 1 0 267.329 -1.180 20 30 CAEDRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001128665212 776204006 /nfs/dbraw/zinc/20/40/06/776204006.db2.gz KVIHOJPJUMUMCG-SECBINFHSA-N 1 0 281.316 -2.190 20 30 CAEDRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001128665213 776204191 /nfs/dbraw/zinc/20/41/91/776204191.db2.gz KVIHOJPJUMUMCG-VIFPVBQESA-N 1 0 281.316 -2.190 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128671703 776205267 /nfs/dbraw/zinc/20/52/67/776205267.db2.gz DHKAAFTUYHIMCQ-GHMZBOCLSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665878 776205430 /nfs/dbraw/zinc/20/54/30/776205430.db2.gz VSMRHKWYBCLNAY-SNVBAGLBSA-N 1 0 282.344 -1.527 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128691332 776209215 /nfs/dbraw/zinc/20/92/15/776209215.db2.gz HRLYPURYSPJWOI-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128691817 776209304 /nfs/dbraw/zinc/20/93/04/776209304.db2.gz NGOKSRISMZPJJY-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128728700 776210631 /nfs/dbraw/zinc/21/06/31/776210631.db2.gz XODVRMIUDNHYRP-VIFPVBQESA-N 1 0 251.286 -1.137 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128769207 776212171 /nfs/dbraw/zinc/21/21/71/776212171.db2.gz MZQNGBDIVUGOHP-UHFFFAOYSA-N 1 0 280.328 -1.171 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128764102 776212360 /nfs/dbraw/zinc/21/23/60/776212360.db2.gz RFZWBWDBIKTZIM-UHFFFAOYSA-N 1 0 280.328 -1.171 20 30 CAEDRO C=CC[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128764250 776212931 /nfs/dbraw/zinc/21/29/31/776212931.db2.gz UCGDEWFRMKNBNW-UHFFFAOYSA-N 1 0 266.301 -1.561 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128800658 776217816 /nfs/dbraw/zinc/21/78/16/776217816.db2.gz YBUNCXUZCJYJEF-VIFPVBQESA-N 1 0 283.332 -2.241 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128823706 776219250 /nfs/dbraw/zinc/21/92/50/776219250.db2.gz TZKFCPHOYFIUAE-UHFFFAOYSA-N 1 0 273.358 -1.249 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860493 776219557 /nfs/dbraw/zinc/21/95/57/776219557.db2.gz GMFPMNIPHFKZPL-MNOVXSKESA-N 1 0 290.327 -1.482 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198296 776223012 /nfs/dbraw/zinc/22/30/12/776223012.db2.gz WIORDKLCQSOTFY-MNOVXSKESA-N 1 0 293.327 -1.442 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198549 776223117 /nfs/dbraw/zinc/22/31/17/776223117.db2.gz YZSBFFIIKHUOEL-QWRGUYRKSA-N 1 0 293.327 -1.442 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198550 776223137 /nfs/dbraw/zinc/22/31/37/776223137.db2.gz YZSBFFIIKHUOEL-WDEREUQCSA-N 1 0 293.327 -1.442 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198298 776223415 /nfs/dbraw/zinc/22/34/15/776223415.db2.gz WIORDKLCQSOTFY-WDEREUQCSA-N 1 0 293.327 -1.442 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198548 776223622 /nfs/dbraw/zinc/22/36/22/776223622.db2.gz YZSBFFIIKHUOEL-MNOVXSKESA-N 1 0 293.327 -1.442 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090205120 776224429 /nfs/dbraw/zinc/22/44/29/776224429.db2.gz ZUTJXRRFTHSLCP-KBPBESRZSA-N 1 0 295.383 -1.107 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnn2c1CCC2 ZINC001128922958 776224804 /nfs/dbraw/zinc/22/48/04/776224804.db2.gz KYKQZARIYAJGBP-UHFFFAOYSA-N 1 0 290.327 -1.212 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC001117988660 776238335 /nfs/dbraw/zinc/23/83/35/776238335.db2.gz ZLCQYWOMHLLZQV-NSHDSACASA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129255153 776248042 /nfs/dbraw/zinc/24/80/42/776248042.db2.gz GMEMGJMXUKNJGN-NSHDSACASA-N 1 0 294.355 -1.642 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129262305 776249285 /nfs/dbraw/zinc/24/92/85/776249285.db2.gz MZEPBBACECWPAW-JTQLQIEISA-N 1 0 295.343 -1.752 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129262867 776249867 /nfs/dbraw/zinc/24/98/67/776249867.db2.gz TVUWYOGLLVVCSU-LLVKDONJSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868958 776250032 /nfs/dbraw/zinc/25/00/32/776250032.db2.gz GRFCYJJSPHUTAU-ZJUUUORDSA-N 1 0 296.327 -1.724 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268258 776259021 /nfs/dbraw/zinc/25/90/21/776259021.db2.gz IOONLJZEVXOOHG-QWRGUYRKSA-N 1 0 278.316 -1.752 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268257 776259589 /nfs/dbraw/zinc/25/95/89/776259589.db2.gz IOONLJZEVXOOHG-MNOVXSKESA-N 1 0 278.316 -1.752 20 30 CAEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268570 776259655 /nfs/dbraw/zinc/25/96/55/776259655.db2.gz NOIZNFGCRLOROJ-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268569 776259922 /nfs/dbraw/zinc/25/99/22/776259922.db2.gz NOIZNFGCRLOROJ-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268074 776259993 /nfs/dbraw/zinc/25/99/93/776259993.db2.gz GMRPANPZKFXNFP-ZJUUUORDSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268256 776260293 /nfs/dbraw/zinc/26/02/93/776260293.db2.gz IOONLJZEVXOOHG-GHMZBOCLSA-N 1 0 278.316 -1.752 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270029 776261218 /nfs/dbraw/zinc/26/12/18/776261218.db2.gz VMZASVKCYLMUPL-WDEREUQCSA-N 1 0 280.332 -1.199 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001118149475 776262201 /nfs/dbraw/zinc/26/22/01/776262201.db2.gz HRCXLWCOGOABQL-LLVKDONJSA-N 1 0 282.344 -1.069 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001118149476 776262541 /nfs/dbraw/zinc/26/25/41/776262541.db2.gz HRCXLWCOGOABQL-NSHDSACASA-N 1 0 282.344 -1.069 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270656 776262751 /nfs/dbraw/zinc/26/27/51/776262751.db2.gz YKEBWVBESVBTGQ-WDEREUQCSA-N 1 0 278.316 -1.752 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270650 776263380 /nfs/dbraw/zinc/26/33/80/776263380.db2.gz YKEBWVBESVBTGQ-GHMZBOCLSA-N 1 0 278.316 -1.752 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129291622 776270729 /nfs/dbraw/zinc/27/07/29/776270729.db2.gz YVQIFPUHAQEDFN-VIFPVBQESA-N 1 0 281.316 -2.142 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129297374 776274423 /nfs/dbraw/zinc/27/44/23/776274423.db2.gz MDAMWLLTQVWCRI-SNVBAGLBSA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129303997 776276432 /nfs/dbraw/zinc/27/64/32/776276432.db2.gz MXKTVQYRNKWPDQ-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129305303 776277425 /nfs/dbraw/zinc/27/74/25/776277425.db2.gz VGYLKKRQYNAYRI-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cnc(C)o1 ZINC001129311464 776277778 /nfs/dbraw/zinc/27/77/78/776277778.db2.gz YANAJVCLNOANPN-UHFFFAOYSA-N 1 0 278.312 -1.019 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129305309 776278174 /nfs/dbraw/zinc/27/81/74/776278174.db2.gz VGYLKKRQYNAYRI-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001090292321 776284224 /nfs/dbraw/zinc/28/42/24/776284224.db2.gz OCPSUCDLVKYKIB-GHMZBOCLSA-N 1 0 288.369 -1.232 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001083899534 776284478 /nfs/dbraw/zinc/28/44/78/776284478.db2.gz KEACAYCFXGHYHT-KOLCDFICSA-N 1 0 263.301 -1.294 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298511 776287483 /nfs/dbraw/zinc/28/74/83/776287483.db2.gz QFOUPXGNEXSXTP-NEPJUHHUSA-N 1 0 277.328 -1.147 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298136 776287517 /nfs/dbraw/zinc/28/75/17/776287517.db2.gz NGJFATYXWZNOOY-VXGBXAGGSA-N 1 0 277.328 -1.147 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)CC(N)=O ZINC001163903972 776308047 /nfs/dbraw/zinc/30/80/47/776308047.db2.gz ABMVKXBNSCHXRW-JTQLQIEISA-N 1 0 282.344 -1.657 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001079875892 776315058 /nfs/dbraw/zinc/31/50/58/776315058.db2.gz FUYIHSJVGNKMQP-KXUCPTDWSA-N 1 0 278.312 -1.346 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001080001816 776315752 /nfs/dbraw/zinc/31/57/52/776315752.db2.gz XYBZBGKPKWRTAL-GHMZBOCLSA-N 1 0 277.328 -1.349 20 30 CAEDRO CC#CC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099707920 776319566 /nfs/dbraw/zinc/31/95/66/776319566.db2.gz WYJSWKUAQUMCDY-WDEREUQCSA-N 1 0 283.328 -1.083 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC001118490303 776322606 /nfs/dbraw/zinc/32/26/06/776322606.db2.gz GDVFCIWBMSAGGL-QUNCOHTASA-N 1 0 278.312 -1.394 20 30 CAEDRO NC(=O)[C@]1(NC(=O)C#CC2CC[NH2+]CC2)CCOC1 ZINC001118505228 776331783 /nfs/dbraw/zinc/33/17/83/776331783.db2.gz CEYCIJKIEWKFDC-ZDUSSCGKSA-N 1 0 265.313 -1.250 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001080728584 776336488 /nfs/dbraw/zinc/33/64/88/776336488.db2.gz SUEWMHBCRNJZPF-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001080774257 776337356 /nfs/dbraw/zinc/33/73/56/776337356.db2.gz JGUNYNPSYPOMCH-GHMZBOCLSA-N 1 0 292.339 -1.050 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001080907678 776339508 /nfs/dbraw/zinc/33/95/08/776339508.db2.gz AGPGDLZYAUHDHD-GHMZBOCLSA-N 1 0 292.339 -1.050 20 30 CAEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080994874 776343062 /nfs/dbraw/zinc/34/30/62/776343062.db2.gz OXMXKVJUJXSZDX-NXEZZACHSA-N 1 0 292.343 -1.001 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 ZINC001081674076 776380954 /nfs/dbraw/zinc/38/09/54/776380954.db2.gz ZCEPLOFXOBESFU-GHMZBOCLSA-N 1 0 278.316 -1.488 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)Cn2nccn2)[C@H](OC)C1 ZINC001081739223 776392580 /nfs/dbraw/zinc/39/25/80/776392580.db2.gz IFJSCVPOZVSUJM-GHMZBOCLSA-N 1 0 263.301 -1.273 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@H](OC)C1 ZINC001082023364 776401292 /nfs/dbraw/zinc/40/12/92/776401292.db2.gz INGKSUNVPAJBMD-QJPTWQEYSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001082023420 776401724 /nfs/dbraw/zinc/40/17/24/776401724.db2.gz KFOLSESYRUKHRU-GRYCIOLGSA-N 1 0 294.355 -1.151 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082083581 776404506 /nfs/dbraw/zinc/40/45/06/776404506.db2.gz PSBVYWOKJPRCIR-GMTAPVOTSA-N 1 0 280.328 -1.494 20 30 CAEDRO OC[C@H]1C[N@H+](CC#CCN2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822474 776408983 /nfs/dbraw/zinc/40/89/83/776408983.db2.gz JTASQSYSXATCDM-CRWXNKLISA-N 1 0 284.356 -2.440 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090372846 776411477 /nfs/dbraw/zinc/41/14/77/776411477.db2.gz AVSUHMLGGCDCJF-GHMZBOCLSA-N 1 0 295.343 -1.681 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935955 776416907 /nfs/dbraw/zinc/41/69/07/776416907.db2.gz VXNUHNQQIOXWKC-ZJUUUORDSA-N 1 0 263.301 -1.468 20 30 CAEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001118977213 776419525 /nfs/dbraw/zinc/41/95/25/776419525.db2.gz YMBKEBXPNLOQHG-LBPRGKRZSA-N 1 0 293.371 -1.137 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760045 776420419 /nfs/dbraw/zinc/42/04/19/776420419.db2.gz CSSONBODEOSHKG-NXEZZACHSA-N 1 0 253.302 -1.564 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760048 776420632 /nfs/dbraw/zinc/42/06/32/776420632.db2.gz CSSONBODEOSHKG-ZJUUUORDSA-N 1 0 253.302 -1.564 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760047 776420595 /nfs/dbraw/zinc/42/05/95/776420595.db2.gz CSSONBODEOSHKG-VHSXEESVSA-N 1 0 253.302 -1.564 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001090390087 776426858 /nfs/dbraw/zinc/42/68/58/776426858.db2.gz FKNIHWSGLSSQAI-RYUDHWBXSA-N 1 0 294.355 -1.414 20 30 CAEDRO CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273209061 776427008 /nfs/dbraw/zinc/42/70/08/776427008.db2.gz WGBKTDCDGVWTJH-SNVBAGLBSA-N 1 0 268.317 -1.147 20 30 CAEDRO N#CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958036 776439702 /nfs/dbraw/zinc/43/97/02/776439702.db2.gz VZRKXKAKRPFOBK-MNOVXSKESA-N 1 0 264.329 -1.233 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@@H](O)C1 ZINC001084078765 776443714 /nfs/dbraw/zinc/44/37/14/776443714.db2.gz HYTGATAIRMVTJN-HZSPNIEDSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001084062208 776445287 /nfs/dbraw/zinc/44/52/87/776445287.db2.gz HIKVAJFDEQBEOI-NEPJUHHUSA-N 1 0 290.323 -1.088 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058217 776446135 /nfs/dbraw/zinc/44/61/35/776446135.db2.gz PNUTUBOURYEPJX-NEPJUHHUSA-N 1 0 251.330 -1.123 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129069 776448568 /nfs/dbraw/zinc/44/85/68/776448568.db2.gz FRKTZAVNCCPOPY-MXWKQRLJSA-N 1 0 293.323 -1.776 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129068 776448704 /nfs/dbraw/zinc/44/87/04/776448704.db2.gz FRKTZAVNCCPOPY-AXFHLTTASA-N 1 0 293.323 -1.776 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)COC ZINC001273229341 776458914 /nfs/dbraw/zinc/45/89/14/776458914.db2.gz BNZNCBLQKQIAFZ-UHFFFAOYSA-N 1 0 256.306 -1.289 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813172 776459040 /nfs/dbraw/zinc/45/90/40/776459040.db2.gz KXBSWWBVOIZOFJ-RYUDHWBXSA-N 1 0 296.371 -1.120 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(=O)CC)CCO1 ZINC001273236070 776462858 /nfs/dbraw/zinc/46/28/58/776462858.db2.gz IEYXRWWDLWKZRT-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@]2(CO)COCCN2)CC1 ZINC000820365069 776463980 /nfs/dbraw/zinc/46/39/80/776463980.db2.gz KKOLUHWQAQSBJD-HNNXBMFYSA-N 1 0 295.383 -1.201 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099858370 776464277 /nfs/dbraw/zinc/46/42/77/776464277.db2.gz KXCQWXVDUSRCIT-NXEZZACHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099858373 776464438 /nfs/dbraw/zinc/46/44/38/776464438.db2.gz KXCQWXVDUSRCIT-ZJUUUORDSA-N 1 0 270.333 -1.347 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001273251917 776465644 /nfs/dbraw/zinc/46/56/44/776465644.db2.gz ORLHKUMJEKMLHO-GFCCVEGCSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001273251885 776466074 /nfs/dbraw/zinc/46/60/74/776466074.db2.gz OCXDPJGAJSFALK-JTQLQIEISA-N 1 0 263.301 -1.121 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCO1 ZINC001273260811 776467190 /nfs/dbraw/zinc/46/71/90/776467190.db2.gz MYLUEVMFQCLYJN-GHMZBOCLSA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CCOCCC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001273259853 776467299 /nfs/dbraw/zinc/46/72/99/776467299.db2.gz CKPRYDJCAHMLCE-LLVKDONJSA-N 1 0 283.328 -1.671 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000823675018 776468658 /nfs/dbraw/zinc/46/86/58/776468658.db2.gz TYAAZRHJAJHMBF-UHFFFAOYSA-N 1 0 273.358 -1.441 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001273308165 776478042 /nfs/dbraw/zinc/47/80/42/776478042.db2.gz HMLIUZXTYUCOJO-JTQLQIEISA-N 1 0 265.313 -1.298 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099969020 776481737 /nfs/dbraw/zinc/48/17/37/776481737.db2.gz FSEYGHGQAPWLAT-STQMWFEESA-N 1 0 292.339 -1.017 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974325 776483755 /nfs/dbraw/zinc/48/37/55/776483755.db2.gz PYAAEHOCSYIYSR-ZJUUUORDSA-N 1 0 271.317 -1.774 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000828697428 776488464 /nfs/dbraw/zinc/48/84/64/776488464.db2.gz OOXVIONKOOVDGD-GFCCVEGCSA-N 1 0 257.334 -1.429 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1ncn(C)n1 ZINC001273363331 776494650 /nfs/dbraw/zinc/49/46/50/776494650.db2.gz LJKXUQHFYCFMME-UHFFFAOYSA-N 1 0 292.343 -1.384 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1nnc[nH]1 ZINC001168772877 776498235 /nfs/dbraw/zinc/49/82/35/776498235.db2.gz YNHWFIZTGJYCLO-SECBINFHSA-N 1 0 278.316 -1.348 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1nnc[nH]1 ZINC001168772879 776498475 /nfs/dbraw/zinc/49/84/75/776498475.db2.gz YNHWFIZTGJYCLO-VIFPVBQESA-N 1 0 278.316 -1.348 20 30 CAEDRO CO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155236587 776498606 /nfs/dbraw/zinc/49/86/06/776498606.db2.gz XUECEXVRKHMFEC-SECBINFHSA-N 1 0 256.306 -1.243 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CS(C)(=O)=O ZINC001155301902 776499415 /nfs/dbraw/zinc/49/94/15/776499415.db2.gz OXRQYZKWRJCBKZ-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046328 776503162 /nfs/dbraw/zinc/50/31/62/776503162.db2.gz KKYOXZVRTUEDKK-VXGBXAGGSA-N 1 0 292.343 -1.362 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001086184057 776504008 /nfs/dbraw/zinc/50/40/08/776504008.db2.gz FLXNEGRMUONMMO-KXUCPTDWSA-N 1 0 250.302 -1.215 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046327 776504081 /nfs/dbraw/zinc/50/40/81/776504081.db2.gz KKYOXZVRTUEDKK-RYUDHWBXSA-N 1 0 292.343 -1.362 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001086275391 776504665 /nfs/dbraw/zinc/50/46/65/776504665.db2.gz ZXPHISXTBAXOFL-AXFHLTTASA-N 1 0 285.369 -1.204 20 30 CAEDRO COC(=O)[C@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155613098 776506474 /nfs/dbraw/zinc/50/64/74/776506474.db2.gz DVNVDKZNBXWPRC-ZJUUUORDSA-N 1 0 296.327 -1.469 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCCOC ZINC001155881576 776512071 /nfs/dbraw/zinc/51/20/71/776512071.db2.gz SNAFQSGDVSYMLQ-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116064 776513132 /nfs/dbraw/zinc/51/31/32/776513132.db2.gz LKQIGESSQDEOGK-UWVGGRQHSA-N 1 0 289.357 -2.280 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116065 776513678 /nfs/dbraw/zinc/51/36/78/776513678.db2.gz LKQIGESSQDEOGK-VHSXEESVSA-N 1 0 289.357 -2.280 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cnon1 ZINC001168875313 776518254 /nfs/dbraw/zinc/51/82/54/776518254.db2.gz MSCOWVWRFDDERJ-UHFFFAOYSA-N 1 0 266.261 -1.581 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cccnn1 ZINC001169008556 776519422 /nfs/dbraw/zinc/51/94/22/776519422.db2.gz LPNILQFAUPYBSE-UHFFFAOYSA-N 1 0 276.300 -1.174 20 30 CAEDRO CC[NH+]1CCC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001169225293 776521855 /nfs/dbraw/zinc/52/18/55/776521855.db2.gz RGVXSNNWJNJFIW-UMSGYPCISA-N 1 0 290.360 -2.297 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169100403 776522158 /nfs/dbraw/zinc/52/21/58/776522158.db2.gz IDAAWVHNXXJAOW-UHFFFAOYSA-N 1 0 295.347 -1.539 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169111526 776522345 /nfs/dbraw/zinc/52/23/45/776522345.db2.gz ZMYHSGGUMSSPNQ-UHFFFAOYSA-N 1 0 293.331 -2.092 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C(=O)NCC1CC1 ZINC001169453466 776529084 /nfs/dbraw/zinc/52/90/84/776529084.db2.gz IKYOKIDLIQWQHT-UHFFFAOYSA-N 1 0 296.371 -1.089 20 30 CAEDRO C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 ZINC001108569358 776537582 /nfs/dbraw/zinc/53/75/82/776537582.db2.gz GBJYEZYVRBCSHP-LLVKDONJSA-N 1 0 293.371 -1.137 20 30 CAEDRO C=CCCC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566060 776538245 /nfs/dbraw/zinc/53/82/45/776538245.db2.gz DAUSVKWJVQFIIL-SNVBAGLBSA-N 1 0 294.355 -1.161 20 30 CAEDRO C[Si](C)(C)C#C[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169972288 776544505 /nfs/dbraw/zinc/54/45/05/776544505.db2.gz SGLSNDBNJAGMMU-ISUQUUIWSA-N 1 0 275.377 -1.786 20 30 CAEDRO N#CCc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc[nH+]1 ZINC001169978116 776546426 /nfs/dbraw/zinc/54/64/26/776546426.db2.gz UZKUPVXKYQRKMR-SYLRKERUSA-N 1 0 295.295 -2.219 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001156579889 776546504 /nfs/dbraw/zinc/54/65/04/776546504.db2.gz QZYHLIUIWCGFDZ-NSHDSACASA-N 1 0 295.339 -1.215 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NCC ZINC001156857361 776552427 /nfs/dbraw/zinc/55/24/27/776552427.db2.gz OSCHRIJMOJMNTQ-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@H](CC)C(N)=O ZINC001156853115 776552730 /nfs/dbraw/zinc/55/27/30/776552730.db2.gz YVKPZLOROJRJQU-SNVBAGLBSA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086555294 776567690 /nfs/dbraw/zinc/56/76/90/776567690.db2.gz ZXPHISXTBAXOFL-GMTAPVOTSA-N 1 0 285.369 -1.204 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnnn1C ZINC001157355108 776573173 /nfs/dbraw/zinc/57/31/73/776573173.db2.gz WTEMPXXSZZAISN-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cnnn1C ZINC001157355104 776573494 /nfs/dbraw/zinc/57/34/94/776573494.db2.gz WTEMPXXSZZAISN-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157361001 776574221 /nfs/dbraw/zinc/57/42/21/776574221.db2.gz VZXIRMNPUBVQFI-VIFPVBQESA-N 1 0 282.300 -2.060 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001100147540 776576691 /nfs/dbraw/zinc/57/66/91/776576691.db2.gz QEQXNPDCYYCYAP-STQMWFEESA-N 1 0 291.355 -1.068 20 30 CAEDRO C[C@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001170104897 776576912 /nfs/dbraw/zinc/57/69/12/776576912.db2.gz NYOWGTPRUNGKGX-PYZHKEBXSA-N 1 0 261.318 -1.593 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001098463298 776576987 /nfs/dbraw/zinc/57/69/87/776576987.db2.gz IXERSAYAICVGKE-LBPRGKRZSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](O)C(C)C ZINC001157403103 776577164 /nfs/dbraw/zinc/57/71/64/776577164.db2.gz UUEQZROXWRZLDQ-GFCCVEGCSA-N 1 0 269.345 -1.151 20 30 CAEDRO C[C@H]1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001170104896 776577819 /nfs/dbraw/zinc/57/78/19/776577819.db2.gz NYOWGTPRUNGKGX-NCKSRDSBSA-N 1 0 261.318 -1.593 20 30 CAEDRO Cn1cnc(C(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001157493960 776580650 /nfs/dbraw/zinc/58/06/50/776580650.db2.gz RRYMYLFDVLZAJH-UHFFFAOYSA-N 1 0 279.304 -1.836 20 30 CAEDRO COCC#CC[N@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465247 776581643 /nfs/dbraw/zinc/58/16/43/776581643.db2.gz FHFFSJREQXGBTJ-UHFFFAOYSA-N 1 0 297.355 -1.593 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300373 776583687 /nfs/dbraw/zinc/58/36/87/776583687.db2.gz SRRIKYPWRKOKCT-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113757371 776593881 /nfs/dbraw/zinc/59/38/81/776593881.db2.gz KKVXXYMWFXUSDK-MEWQQHAOSA-N 1 0 279.340 -1.183 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833355 776600194 /nfs/dbraw/zinc/60/01/94/776600194.db2.gz BUOMNEXIHNFWOL-PJXYFTJBSA-N 1 0 292.343 -1.078 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1ccn(C)n1 ZINC001157802302 776613348 /nfs/dbraw/zinc/61/33/48/776613348.db2.gz YKBYDDMPJRUVER-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114169834 776613650 /nfs/dbraw/zinc/61/36/50/776613650.db2.gz JSIKPESUDCVCHZ-YABSGUDNSA-N 1 0 279.340 -1.445 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001114159593 776613999 /nfs/dbraw/zinc/61/39/99/776613999.db2.gz IAYCVADRAROUNB-YABSGUDNSA-N 1 0 279.340 -1.181 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114175748 776615204 /nfs/dbraw/zinc/61/52/04/776615204.db2.gz JUFSYHDNEGQZRC-AXTSPUMRSA-N 1 0 250.302 -1.277 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114183048 776617293 /nfs/dbraw/zinc/61/72/93/776617293.db2.gz YSQMQYSGCDRQTN-NNYUYHANSA-N 1 0 294.355 -1.261 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114266329 776619363 /nfs/dbraw/zinc/61/93/63/776619363.db2.gz NXXDZWZCCWLDOF-CZXHOFHRSA-N 1 0 291.351 -1.039 20 30 CAEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114274109 776619828 /nfs/dbraw/zinc/61/98/28/776619828.db2.gz ZYWSSCBRTRDFNV-PJXYFTJBSA-N 1 0 299.396 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129515941 776620660 /nfs/dbraw/zinc/62/06/60/776620660.db2.gz CGCMBSTVIZQCTG-NEPJUHHUSA-N 1 0 290.327 -1.611 20 30 CAEDRO CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129526035 776621452 /nfs/dbraw/zinc/62/14/52/776621452.db2.gz XFRCILDLLDXXEA-MNOVXSKESA-N 1 0 291.315 -1.721 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129545913 776622474 /nfs/dbraw/zinc/62/24/74/776622474.db2.gz BEWHLQNIHUPFOO-UHFFFAOYSA-N 1 0 298.343 -2.147 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129546156 776622504 /nfs/dbraw/zinc/62/25/04/776622504.db2.gz FXXGOFUNSFGYPB-UHFFFAOYSA-N 1 0 297.315 -2.809 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129536500 776622996 /nfs/dbraw/zinc/62/29/96/776622996.db2.gz CZJHXVQLOTXHRG-NEPJUHHUSA-N 1 0 290.327 -1.611 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cn(C)nc1C ZINC001129596590 776624340 /nfs/dbraw/zinc/62/43/40/776624340.db2.gz BMSJSQYLPQCCLE-UHFFFAOYSA-N 1 0 291.355 -1.274 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129755084 776626321 /nfs/dbraw/zinc/62/63/21/776626321.db2.gz LPOWEBIBMIGWRT-QMMMGPOBSA-N 1 0 252.274 -1.686 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743338 776627133 /nfs/dbraw/zinc/62/71/33/776627133.db2.gz MMLMCGDYAVBBGM-VIFPVBQESA-N 1 0 282.300 -2.060 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001129770588 776627266 /nfs/dbraw/zinc/62/72/66/776627266.db2.gz JOUAHTSXDKIVMK-OLZOCXBDSA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001129771193 776627618 /nfs/dbraw/zinc/62/76/18/776627618.db2.gz TXQVNBMPVJMOSY-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129771500 776627733 /nfs/dbraw/zinc/62/77/33/776627733.db2.gz ZEQIUKIGGHYVHC-JTQLQIEISA-N 1 0 295.343 -2.015 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1CC#C ZINC001129771087 776627782 /nfs/dbraw/zinc/62/77/82/776627782.db2.gz QOKQVMASIDQAQZ-ZDUSSCGKSA-N 1 0 290.367 -1.461 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001129770401 776627814 /nfs/dbraw/zinc/62/78/14/776627814.db2.gz GBNCPQGPMNGVAY-RYUDHWBXSA-N 1 0 280.372 -1.076 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 ZINC001129770974 776628275 /nfs/dbraw/zinc/62/82/75/776628275.db2.gz PRUMCNLZUHZAAZ-MNOVXSKESA-N 1 0 292.343 -1.058 20 30 CAEDRO CCc1c[nH]c(CC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001129814603 776629241 /nfs/dbraw/zinc/62/92/41/776629241.db2.gz WJWIYYNOPLSMGT-UHFFFAOYSA-N 1 0 292.343 -1.140 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129814198 776629553 /nfs/dbraw/zinc/62/95/53/776629553.db2.gz MEFWFOPCDGBJJJ-UHFFFAOYSA-N 1 0 291.311 -2.151 20 30 CAEDRO CC[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCNC1=O ZINC001129864940 776630727 /nfs/dbraw/zinc/63/07/27/776630727.db2.gz AHZGTZIERMSCOA-CYBMUJFWSA-N 1 0 295.343 -1.752 20 30 CAEDRO CC[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCNC1=O ZINC001129864941 776630836 /nfs/dbraw/zinc/63/08/36/776630836.db2.gz AHZGTZIERMSCOA-ZDUSSCGKSA-N 1 0 295.343 -1.752 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129897396 776632104 /nfs/dbraw/zinc/63/21/04/776632104.db2.gz BUUDYFANKMAAIO-NXEZZACHSA-N 1 0 290.327 -1.141 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129953700 776634696 /nfs/dbraw/zinc/63/46/96/776634696.db2.gz OEPUJBFYEDCLNP-JTQLQIEISA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129984954 776635821 /nfs/dbraw/zinc/63/58/21/776635821.db2.gz KUEZFYHITPICAP-ZJUUUORDSA-N 1 0 276.300 -1.872 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129957788 776636372 /nfs/dbraw/zinc/63/63/72/776636372.db2.gz TVZUWDCICJLZRI-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129958208 776636428 /nfs/dbraw/zinc/63/64/28/776636428.db2.gz ZKMBGAJCOXXWTF-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129994076 776636884 /nfs/dbraw/zinc/63/68/84/776636884.db2.gz VCBXXJVSEPGYHU-SECBINFHSA-N 1 0 291.311 -1.361 20 30 CAEDRO CCc1nn(C)cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130012445 776637908 /nfs/dbraw/zinc/63/79/08/776637908.db2.gz ICNYRIYGDBXTLI-UHFFFAOYSA-N 1 0 292.343 -1.058 20 30 CAEDRO CN1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1=O ZINC001130041851 776638482 /nfs/dbraw/zinc/63/84/82/776638482.db2.gz XTKSSWJHSBAPLB-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CC(OC)C1 ZINC001130021219 776639047 /nfs/dbraw/zinc/63/90/47/776639047.db2.gz DBUGHVZYBODWAP-UHFFFAOYSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130037400 776641159 /nfs/dbraw/zinc/64/11/59/776641159.db2.gz LFVQLSVOLLGFTM-WDEREUQCSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130074452 776642312 /nfs/dbraw/zinc/64/23/12/776642312.db2.gz UCUCRSKHZCGOOU-VIFPVBQESA-N 1 0 291.311 -1.361 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130076876 776642646 /nfs/dbraw/zinc/64/26/46/776642646.db2.gz FZQHJSGPHVYMAG-UHFFFAOYSA-N 1 0 278.272 -1.859 20 30 CAEDRO CCOc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001130107279 776642728 /nfs/dbraw/zinc/64/27/28/776642728.db2.gz QDEPHVLLBXZOBI-UHFFFAOYSA-N 1 0 294.315 -1.232 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130187618 776643594 /nfs/dbraw/zinc/64/35/94/776643594.db2.gz ZYJCNCSWPPMYEK-VXGBXAGGSA-N 1 0 298.387 -1.287 20 30 CAEDRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCNC(=O)C1 ZINC001130200786 776646149 /nfs/dbraw/zinc/64/61/49/776646149.db2.gz NPSJYBISHVRILS-CYBMUJFWSA-N 1 0 295.343 -1.752 20 30 CAEDRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCNC(=O)C1 ZINC001130200787 776646730 /nfs/dbraw/zinc/64/67/30/776646730.db2.gz NPSJYBISHVRILS-ZDUSSCGKSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130200159 776646788 /nfs/dbraw/zinc/64/67/88/776646788.db2.gz FCNNFDKBNQAYIM-CQSZACIVSA-N 1 0 294.355 -1.642 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)S(C)(=O)=O ZINC001130324121 776650022 /nfs/dbraw/zinc/65/00/22/776650022.db2.gz RVRUKJVIPMIBCS-MRVPVSSYSA-N 1 0 290.345 -2.235 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130324165 776650490 /nfs/dbraw/zinc/65/04/90/776650490.db2.gz SYFKBKPEXFKUDV-UHFFFAOYSA-N 1 0 291.373 -1.571 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCS(C)(=O)=O ZINC001130327164 776650596 /nfs/dbraw/zinc/65/05/96/776650596.db2.gz MZTYXZUBDBGRSP-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CS(=O)(=O)CCOC ZINC001130335477 776651348 /nfs/dbraw/zinc/65/13/48/776651348.db2.gz NZQRFNAJPNHXCS-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CS(=O)(=O)CCOC ZINC001130333709 776652174 /nfs/dbraw/zinc/65/21/74/776652174.db2.gz JQSMEOFVYXRSOJ-UHFFFAOYSA-N 1 0 264.347 -1.061 20 30 CAEDRO C=C(C)CC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130382142 776655088 /nfs/dbraw/zinc/65/50/88/776655088.db2.gz UFVWGTMGONOVJK-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO C=CCCC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384324 776656357 /nfs/dbraw/zinc/65/63/57/776656357.db2.gz CKXUOEZLBYLPNB-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384643 776656562 /nfs/dbraw/zinc/65/65/62/776656562.db2.gz MOXSKZSMGRUJOQ-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C[C@@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CO1 ZINC001130503371 776657322 /nfs/dbraw/zinc/65/73/22/776657322.db2.gz HVSJRRFCEYYEQX-NXEZZACHSA-N 1 0 268.317 -1.243 20 30 CAEDRO C[C@@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CO1 ZINC001130503374 776657679 /nfs/dbraw/zinc/65/76/79/776657679.db2.gz HVSJRRFCEYYEQX-ZJUUUORDSA-N 1 0 268.317 -1.243 20 30 CAEDRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157981249 776657825 /nfs/dbraw/zinc/65/78/25/776657825.db2.gz ADXVMQUCAIZUSJ-NEPJUHHUSA-N 1 0 281.360 -1.056 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001130503130 776658143 /nfs/dbraw/zinc/65/81/43/776658143.db2.gz GEWHMNCBEMYONG-WDEREUQCSA-N 1 0 267.329 -1.133 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090486836 776658948 /nfs/dbraw/zinc/65/89/48/776658948.db2.gz PZFTXPJRXABTBY-NEPJUHHUSA-N 1 0 296.371 -1.844 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553737 776659317 /nfs/dbraw/zinc/65/93/17/776659317.db2.gz OBABEYXEIFEDLX-UHFFFAOYSA-N 1 0 298.387 -1.331 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130551503 776659367 /nfs/dbraw/zinc/65/93/67/776659367.db2.gz UUHQCONSWMQWEG-UHFFFAOYSA-N 1 0 254.334 -1.348 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090486843 776659428 /nfs/dbraw/zinc/65/94/28/776659428.db2.gz PZFTXPJRXABTBY-RYUDHWBXSA-N 1 0 296.371 -1.844 20 30 CAEDRO N#C[C@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157982550 776659945 /nfs/dbraw/zinc/65/99/45/776659945.db2.gz OQLGZFUMGVXWGR-UWVGGRQHSA-N 1 0 265.317 -1.740 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130588249 776660534 /nfs/dbraw/zinc/66/05/34/776660534.db2.gz RKWABSRIELWZQY-UHFFFAOYSA-N 1 0 251.290 -1.689 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130588196 776660580 /nfs/dbraw/zinc/66/05/80/776660580.db2.gz PRQMWYXDMVLWCM-UHFFFAOYSA-N 1 0 294.315 -2.963 20 30 CAEDRO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130612275 776662243 /nfs/dbraw/zinc/66/22/43/776662243.db2.gz PGUSSYFHUBGMFY-LLVKDONJSA-N 1 0 297.359 -1.947 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130643230 776663576 /nfs/dbraw/zinc/66/35/76/776663576.db2.gz VJESKTMEHPYCBW-UHFFFAOYSA-N 1 0 290.270 -2.177 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130650441 776664274 /nfs/dbraw/zinc/66/42/74/776664274.db2.gz FARURLMZZIXNOO-UHFFFAOYSA-N 1 0 292.286 -1.624 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC(F)F ZINC001130650442 776664420 /nfs/dbraw/zinc/66/44/20/776664420.db2.gz FBNCZIYJOVZHRM-UHFFFAOYSA-N 1 0 291.258 -2.287 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001130670733 776665411 /nfs/dbraw/zinc/66/54/11/776665411.db2.gz RAACROJXLZLEEC-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CCF)c1 ZINC001130664796 776665863 /nfs/dbraw/zinc/66/58/63/776665863.db2.gz QLJZVYBVZQTSJH-UHFFFAOYSA-N 1 0 296.306 -1.188 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001130670914 776667238 /nfs/dbraw/zinc/66/72/38/776667238.db2.gz VJYPRFSFPHNWMO-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705555 776667300 /nfs/dbraw/zinc/66/73/00/776667300.db2.gz GTAUMAQYVHKQGW-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090492149 776668557 /nfs/dbraw/zinc/66/85/57/776668557.db2.gz CEBVOVAGGXYIDA-RKDXNWHRSA-N 1 0 266.305 -1.439 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090492146 776669004 /nfs/dbraw/zinc/66/90/04/776669004.db2.gz CEBVOVAGGXYIDA-BDAKNGLRSA-N 1 0 266.305 -1.439 20 30 CAEDRO Cn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)ccc1=O ZINC001130762309 776672765 /nfs/dbraw/zinc/67/27/65/776672765.db2.gz QYJKWYJJFXZBGM-UHFFFAOYSA-N 1 0 291.311 -1.656 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCCC1=O ZINC001130759120 776672786 /nfs/dbraw/zinc/67/27/86/776672786.db2.gz BNGQOQJGPVTCGL-UHFFFAOYSA-N 1 0 295.343 -1.656 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001130802832 776676128 /nfs/dbraw/zinc/67/61/28/776676128.db2.gz NFDPIPKCGFHYMY-UHFFFAOYSA-N 1 0 271.298 -1.120 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090496304 776676846 /nfs/dbraw/zinc/67/68/46/776676846.db2.gz OHLVKKBSJNFDCX-UWVGGRQHSA-N 1 0 278.316 -1.602 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncn1C ZINC001130896378 776676952 /nfs/dbraw/zinc/67/69/52/776676952.db2.gz AEXJAMPLXJAEBS-UHFFFAOYSA-N 1 0 263.301 -1.511 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001170519586 776677355 /nfs/dbraw/zinc/67/73/55/776677355.db2.gz HAUQCBCYGSITBA-JTQLQIEISA-N 1 0 295.347 -1.540 20 30 CAEDRO C=CC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944450 776680660 /nfs/dbraw/zinc/68/06/60/776680660.db2.gz PILVETQKVBSUDV-UHFFFAOYSA-N 1 0 252.274 -1.159 20 30 CAEDRO N#C[C@H](Nc1nccnc1N1CC[NH2+]CC1)C(N)=O ZINC001170531572 776682036 /nfs/dbraw/zinc/68/20/36/776682036.db2.gz QAOLIWMWURBWOO-QMMMGPOBSA-N 1 0 261.289 -1.324 20 30 CAEDRO N#C[C@@H](Nc1ccnc(N2CC[NH2+]CC2)n1)C(N)=O ZINC001170532140 776683285 /nfs/dbraw/zinc/68/32/85/776683285.db2.gz ZOPUAAPQZPENDD-MRVPVSSYSA-N 1 0 261.289 -1.324 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1nc(C)cc1C ZINC001131063994 776683622 /nfs/dbraw/zinc/68/36/22/776683622.db2.gz DTAFPEVTYRFDNG-UHFFFAOYSA-N 1 0 291.355 -1.045 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101557 776683854 /nfs/dbraw/zinc/68/38/54/776683854.db2.gz KXLVJAAIXUCCRO-UHFFFAOYSA-N 1 0 292.295 -1.553 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131060163 776683980 /nfs/dbraw/zinc/68/39/80/776683980.db2.gz XBZYUOKXHQNENG-GHMZBOCLSA-N 1 0 289.339 -1.187 20 30 CAEDRO N#C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(N)=O ZINC001170538371 776684909 /nfs/dbraw/zinc/68/49/09/776684909.db2.gz HVNTWFQOJHBIIU-ZCFIWIBFSA-N 1 0 277.244 -1.139 20 30 CAEDRO COc1c(N[C@@H](C#N)C(N)=O)ncnc1C1C[NH2+]C1 ZINC001170540195 776684912 /nfs/dbraw/zinc/68/49/12/776684912.db2.gz ZNBACQGXQOEHKV-ZETCQYMHSA-N 1 0 262.273 -1.039 20 30 CAEDRO COc1cnc(C(=O)NCC[NH2+]CC(=O)NCC#N)nc1 ZINC001131122331 776685175 /nfs/dbraw/zinc/68/51/75/776685175.db2.gz UWXWSHXRXZNZRM-UHFFFAOYSA-N 1 0 292.299 -1.556 20 30 CAEDRO COc1nccc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001131190475 776686568 /nfs/dbraw/zinc/68/65/68/776686568.db2.gz BTAJVQJYRXRBLZ-UHFFFAOYSA-N 1 0 292.299 -1.556 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(OC)n1 ZINC001131188399 776687051 /nfs/dbraw/zinc/68/70/51/776687051.db2.gz QGPKPSDDEQGMBG-UHFFFAOYSA-N 1 0 291.311 -1.446 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1ccon1 ZINC001131345072 776689869 /nfs/dbraw/zinc/68/98/69/776689869.db2.gz YKZSKISVXYQJTJ-UHFFFAOYSA-N 1 0 279.300 -1.047 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001131456484 776691917 /nfs/dbraw/zinc/69/19/17/776691917.db2.gz YCLYOMVIZVDKTM-UHFFFAOYSA-N 1 0 291.311 -1.325 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CO1 ZINC001131526791 776693575 /nfs/dbraw/zinc/69/35/75/776693575.db2.gz FGBSWIIOKIXPHW-GHMZBOCLSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131517579 776693860 /nfs/dbraw/zinc/69/38/60/776693860.db2.gz VKBNTLFXTBVWQY-MOWSAHLDSA-N 1 0 291.351 -1.135 20 30 CAEDRO C[C@@H]1CO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001131536801 776694058 /nfs/dbraw/zinc/69/40/58/776694058.db2.gz QLRIYUUGBQKIBS-VHSXEESVSA-N 1 0 268.317 -1.243 20 30 CAEDRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001131624467 776695659 /nfs/dbraw/zinc/69/56/59/776695659.db2.gz HSHDHZYEMRTBCA-UHFFFAOYSA-N 1 0 293.331 -1.814 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131653863 776696548 /nfs/dbraw/zinc/69/65/48/776696548.db2.gz WRHBTZCIEODAMU-QMMMGPOBSA-N 1 0 273.314 -2.761 20 30 CAEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131653415 776696764 /nfs/dbraw/zinc/69/67/64/776696764.db2.gz SNASXRCJBDCRDM-QMMMGPOBSA-N 1 0 275.330 -2.209 20 30 CAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131629670 776697120 /nfs/dbraw/zinc/69/71/20/776697120.db2.gz VYQOSHBQXBIHEO-FZMZJTMJSA-N 1 0 294.355 -1.020 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639268 776697465 /nfs/dbraw/zinc/69/74/65/776697465.db2.gz FLVCYPHPKCBSLL-VIFPVBQESA-N 1 0 289.357 -1.819 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131652848 776697728 /nfs/dbraw/zinc/69/77/28/776697728.db2.gz KGIKUNDQTVAUOY-VIFPVBQESA-N 1 0 287.341 -2.371 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131684706 776698545 /nfs/dbraw/zinc/69/85/45/776698545.db2.gz LAYYRKJSDQVOJB-ZDUSSCGKSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131681140 776699060 /nfs/dbraw/zinc/69/90/60/776699060.db2.gz WFQKRYHFOOTLSJ-YGRLFVJLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131681062 776699351 /nfs/dbraw/zinc/69/93/51/776699351.db2.gz UVRHXNQYXFBBRG-HZMBPMFUSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131675650 776700104 /nfs/dbraw/zinc/70/01/04/776700104.db2.gz BMTBPBQCKUCXDU-ZDUSSCGKSA-N 1 0 282.344 -1.479 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131769510 776701639 /nfs/dbraw/zinc/70/16/39/776701639.db2.gz VRBBPMVCUJUKMA-UHFFFAOYSA-N 1 0 265.317 -1.299 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131769401 776701752 /nfs/dbraw/zinc/70/17/52/776701752.db2.gz PPGWPACDRUEYMM-UHFFFAOYSA-N 1 0 297.359 -1.120 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001131774895 776702299 /nfs/dbraw/zinc/70/22/99/776702299.db2.gz XJWVJFWMZNJFJK-SECBINFHSA-N 1 0 261.347 -1.217 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840955 776703360 /nfs/dbraw/zinc/70/33/60/776703360.db2.gz XRUPNFKMXYOKBV-LLVKDONJSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840291 776704086 /nfs/dbraw/zinc/70/40/86/776704086.db2.gz GRCKEDIIQRFGLF-NSHDSACASA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1coc(C(N)=O)c1 ZINC001131782966 776704300 /nfs/dbraw/zinc/70/43/00/776704300.db2.gz OSSYTJRCOOACLP-UHFFFAOYSA-N 1 0 292.295 -1.553 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131831818 776705511 /nfs/dbraw/zinc/70/55/11/776705511.db2.gz RTENYRYQRUEVKL-UHFFFAOYSA-N 1 0 262.335 -2.231 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131828496 776706144 /nfs/dbraw/zinc/70/61/44/776706144.db2.gz SQMKBOLODAIPNL-UHFFFAOYSA-N 1 0 284.769 -1.502 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001131881037 776707348 /nfs/dbraw/zinc/70/73/48/776707348.db2.gz ODHFGZIJLWMKRP-AAEUAGOBSA-N 1 0 297.355 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001131881038 776707818 /nfs/dbraw/zinc/70/78/18/776707818.db2.gz ODHFGZIJLWMKRP-DGCLKSJQSA-N 1 0 297.355 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(COC)CCOC1 ZINC001131902158 776708454 /nfs/dbraw/zinc/70/84/54/776708454.db2.gz LJTVYPMFQXAXEK-AWEZNQCLSA-N 1 0 297.355 -1.505 20 30 CAEDRO COC[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCOC1 ZINC001131898966 776709319 /nfs/dbraw/zinc/70/93/19/776709319.db2.gz PHUPMWVKKWEPPZ-CYBMUJFWSA-N 1 0 298.343 -1.615 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1csnn1 ZINC001131972787 776710268 /nfs/dbraw/zinc/71/02/68/776710268.db2.gz TTZHSDHFBCDLCI-UHFFFAOYSA-N 1 0 267.314 -1.393 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1nc(C)no1 ZINC001132114420 776713054 /nfs/dbraw/zinc/71/30/54/776713054.db2.gz FTTOKAIQRNMMRW-UHFFFAOYSA-N 1 0 293.327 -1.234 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132317587 776720768 /nfs/dbraw/zinc/72/07/68/776720768.db2.gz JAAOSTRHTUNXLK-UHFFFAOYSA-N 1 0 296.331 -3.236 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132331096 776721347 /nfs/dbraw/zinc/72/13/47/776721347.db2.gz KJJORTSIMTWUCN-VHSXEESVSA-N 1 0 282.344 -1.658 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337534 776722109 /nfs/dbraw/zinc/72/21/09/776722109.db2.gz LWAOLDPZSACLGG-IUCAKERBSA-N 1 0 281.316 -2.157 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337535 776722635 /nfs/dbraw/zinc/72/26/35/776722635.db2.gz LWAOLDPZSACLGG-RKDXNWHRSA-N 1 0 281.316 -2.157 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337253 776722791 /nfs/dbraw/zinc/72/27/91/776722791.db2.gz IGUHACWFBNQEFX-ZJUUUORDSA-N 1 0 282.344 -1.494 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337532 776723282 /nfs/dbraw/zinc/72/32/82/776723282.db2.gz LWAOLDPZSACLGG-BDAKNGLRSA-N 1 0 281.316 -2.157 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132338613 776723862 /nfs/dbraw/zinc/72/38/62/776723862.db2.gz VFZCXCSJVUGQCE-ZJUUUORDSA-N 1 0 284.360 -1.106 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132338638 776724790 /nfs/dbraw/zinc/72/47/90/776724790.db2.gz VVGLLQBWDHHUKZ-NXEZZACHSA-N 1 0 280.328 -2.047 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132343967 776725692 /nfs/dbraw/zinc/72/56/92/776725692.db2.gz BJWQYSJECCROEY-VIFPVBQESA-N 1 0 268.317 -2.047 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132342205 776725980 /nfs/dbraw/zinc/72/59/80/776725980.db2.gz YRVBCMDIYKXBFM-QWRGUYRKSA-N 1 0 267.329 -1.147 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)CC(N)=O)C1=O ZINC001132345328 776726239 /nfs/dbraw/zinc/72/62/39/776726239.db2.gz OXHVJAXXENYNTN-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132342203 776726265 /nfs/dbraw/zinc/72/62/65/776726265.db2.gz YRVBCMDIYKXBFM-GHMZBOCLSA-N 1 0 267.329 -1.147 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132355585 776727356 /nfs/dbraw/zinc/72/73/56/776727356.db2.gz DKIICKSVAKGFIO-VIFPVBQESA-N 1 0 268.317 -1.870 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367524 776727793 /nfs/dbraw/zinc/72/77/93/776727793.db2.gz WTSJWIMOLYNFOJ-UHFFFAOYSA-N 1 0 279.300 -1.806 20 30 CAEDRO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132349443 776727904 /nfs/dbraw/zinc/72/79/04/776727904.db2.gz FUURJBTZHSWXBJ-QMMMGPOBSA-N 1 0 269.305 -2.157 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376615 776734550 /nfs/dbraw/zinc/73/45/50/776734550.db2.gz PVUPLJLKWLLIOT-NXEZZACHSA-N 1 0 282.344 -1.481 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382525 776735793 /nfs/dbraw/zinc/73/57/93/776735793.db2.gz LRTFETMMOISWRZ-SECBINFHSA-N 1 0 281.316 -2.535 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382393 776735817 /nfs/dbraw/zinc/73/58/17/776735817.db2.gz JNDCSISILBCIBZ-VIFPVBQESA-N 1 0 283.332 -1.982 20 30 CAEDRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)NC1=O ZINC001132382743 776736540 /nfs/dbraw/zinc/73/65/40/776736540.db2.gz QCMZMZJEMGSNED-QMMMGPOBSA-N 1 0 282.304 -2.644 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402055 776738226 /nfs/dbraw/zinc/73/82/26/776738226.db2.gz KKCLPLXPXSLVQX-UWVGGRQHSA-N 1 0 297.359 -1.594 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402343 776738545 /nfs/dbraw/zinc/73/85/45/776738545.db2.gz PKYIFVYCXREIDU-VHSXEESVSA-N 1 0 295.343 -2.146 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402057 776739137 /nfs/dbraw/zinc/73/91/37/776739137.db2.gz KKCLPLXPXSLVQX-ZJUUUORDSA-N 1 0 297.359 -1.594 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132526936 776741757 /nfs/dbraw/zinc/74/17/57/776741757.db2.gz HWCXNOBQUTZNQP-UHFFFAOYSA-N 1 0 254.294 -1.268 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528660 776743278 /nfs/dbraw/zinc/74/32/78/776743278.db2.gz QTAGVRVSRBVPLE-MRVPVSSYSA-N 1 0 279.304 -2.333 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608957 776745891 /nfs/dbraw/zinc/74/58/91/776745891.db2.gz NDBGHJURMIHMMX-NSHDSACASA-N 1 0 267.329 -1.180 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132623351 776745955 /nfs/dbraw/zinc/74/59/55/776745955.db2.gz CIYWNPKHKMBEIE-WDEREUQCSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132623348 776746156 /nfs/dbraw/zinc/74/61/56/776746156.db2.gz CIYWNPKHKMBEIE-GHMZBOCLSA-N 1 0 294.355 -1.692 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608956 776746232 /nfs/dbraw/zinc/74/62/32/776746232.db2.gz NDBGHJURMIHMMX-LLVKDONJSA-N 1 0 267.329 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608595 776746292 /nfs/dbraw/zinc/74/62/92/776746292.db2.gz GYTNEEHJOFPVFP-SNVBAGLBSA-N 1 0 280.328 -2.080 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767692 776751699 /nfs/dbraw/zinc/75/16/99/776751699.db2.gz PILCPNRBIXXYPX-WDEREUQCSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762762 776751716 /nfs/dbraw/zinc/75/17/16/776751716.db2.gz QCXGROVNUIAAKC-SNVBAGLBSA-N 1 0 280.328 -1.938 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(F)CCOC1 ZINC001132855742 776752393 /nfs/dbraw/zinc/75/23/93/776752393.db2.gz GYKPZQCEOQRKAE-MFKMUULPSA-N 1 0 285.319 -1.041 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(F)CCOC1 ZINC001132863958 776752585 /nfs/dbraw/zinc/75/25/85/776752585.db2.gz QEHSJYJMEWKYJA-LLVKDONJSA-N 1 0 272.280 -1.539 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCOC1 ZINC001132855740 776752893 /nfs/dbraw/zinc/75/28/93/776752893.db2.gz GYKPZQCEOQRKAE-GXFFZTMASA-N 1 0 285.319 -1.041 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(F)CCOC1 ZINC001132855738 776753237 /nfs/dbraw/zinc/75/32/37/776753237.db2.gz GYKPZQCEOQRKAE-GWCFXTLKSA-N 1 0 285.319 -1.041 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCOC1 ZINC001132855743 776753349 /nfs/dbraw/zinc/75/33/49/776753349.db2.gz GYKPZQCEOQRKAE-ZWNOBZJWSA-N 1 0 285.319 -1.041 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C)n1C ZINC001132886069 776754755 /nfs/dbraw/zinc/75/47/55/776754755.db2.gz BHKYTBIKVPTRAS-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016310 776756544 /nfs/dbraw/zinc/75/65/44/776756544.db2.gz SZXICVPXAPGKCH-VIFPVBQESA-N 1 0 293.327 -1.220 20 30 CAEDRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133083410 776759107 /nfs/dbraw/zinc/75/91/07/776759107.db2.gz JNYPKCPUHQFFIB-ZJUUUORDSA-N 1 0 295.343 -1.814 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133082372 776759130 /nfs/dbraw/zinc/75/91/30/776759130.db2.gz FWSCLBIRWIGJJH-QWRGUYRKSA-N 1 0 296.371 -1.152 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115271 776761548 /nfs/dbraw/zinc/76/15/48/776761548.db2.gz JIXGCHMAVKFWEZ-VIFPVBQESA-N 1 0 254.290 -1.977 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133115869 776761690 /nfs/dbraw/zinc/76/16/90/776761690.db2.gz SMXLJUNZKCXYLK-NXEZZACHSA-N 1 0 295.343 -1.840 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133115879 776761810 /nfs/dbraw/zinc/76/18/10/776761810.db2.gz SMXLJUNZKCXYLK-ZJUUUORDSA-N 1 0 295.343 -1.840 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115566 776762166 /nfs/dbraw/zinc/76/21/66/776762166.db2.gz PQILUNIIRIUBJY-SECBINFHSA-N 1 0 256.306 -1.424 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133128418 776764553 /nfs/dbraw/zinc/76/45/53/776764553.db2.gz DESDNCPLUBLLMU-SSDOTTSWSA-N 1 0 268.277 -2.987 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164178 776765935 /nfs/dbraw/zinc/76/59/35/776765935.db2.gz RGXYZLBENJCIIM-UHFFFAOYSA-N 1 0 261.347 -1.216 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151952 776766062 /nfs/dbraw/zinc/76/60/62/776766062.db2.gz NUVDXBLVPULJAZ-UHFFFAOYSA-N 1 0 291.373 -1.589 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133187389 776766237 /nfs/dbraw/zinc/76/62/37/776766237.db2.gz BQSKCYVTIOSXLS-UHFFFAOYSA-N 1 0 253.302 -1.393 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133129395 776766408 /nfs/dbraw/zinc/76/64/08/776766408.db2.gz XWKPVQJXLJKZKK-MRVPVSSYSA-N 1 0 269.305 -2.324 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133187775 776767366 /nfs/dbraw/zinc/76/73/66/776767366.db2.gz IGTZHDQBTIWOML-SNVBAGLBSA-N 1 0 294.355 -1.255 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133184788 776767410 /nfs/dbraw/zinc/76/74/10/776767410.db2.gz GQSGKDUSPQFIAQ-UHFFFAOYSA-N 1 0 267.289 -2.403 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188309 776768904 /nfs/dbraw/zinc/76/89/04/776768904.db2.gz VJXSDDGLJWRWRU-UHFFFAOYSA-N 1 0 266.301 -2.293 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335478 776775189 /nfs/dbraw/zinc/77/51/89/776775189.db2.gz WATHIHOYECZXIB-UHFFFAOYSA-N 1 0 279.300 -1.806 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467671 776777626 /nfs/dbraw/zinc/77/76/26/776777626.db2.gz MOLYNPASFDPGNY-ZDUSSCGKSA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133470453 776778138 /nfs/dbraw/zinc/77/81/38/776778138.db2.gz ISUTWBTWIAMAAI-UHFFFAOYSA-N 1 0 267.264 -1.382 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133512691 776779851 /nfs/dbraw/zinc/77/98/51/776779851.db2.gz GPFQJDBOGMPIOS-JTQLQIEISA-N 1 0 273.333 -1.344 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133510396 776779941 /nfs/dbraw/zinc/77/99/41/776779941.db2.gz ZRYTXWAVWCPKLY-JTQLQIEISA-N 1 0 271.317 -1.897 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001133516043 776781047 /nfs/dbraw/zinc/78/10/47/776781047.db2.gz VHERJZOEMFNCDG-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001133516040 776781239 /nfs/dbraw/zinc/78/12/39/776781239.db2.gz VHERJZOEMFNCDG-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133516482 776781419 /nfs/dbraw/zinc/78/14/19/776781419.db2.gz ZWLKKIHITYIOAH-UWVGGRQHSA-N 1 0 297.359 -1.365 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133618559 776782220 /nfs/dbraw/zinc/78/22/20/776782220.db2.gz LZKJYDCIAVXPDR-UHFFFAOYSA-N 1 0 287.345 -1.047 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619805 776782387 /nfs/dbraw/zinc/78/23/87/776782387.db2.gz MMHBCJTUQPSFRF-ZJUUUORDSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619802 776782495 /nfs/dbraw/zinc/78/24/95/776782495.db2.gz MMHBCJTUQPSFRF-NXEZZACHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CNC(N)=O ZINC001133662801 776783169 /nfs/dbraw/zinc/78/31/69/776783169.db2.gz UWEBZJOQSSYNJY-RKDXNWHRSA-N 1 0 298.347 -1.833 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621682 776783464 /nfs/dbraw/zinc/78/34/64/776783464.db2.gz MONKLYIOPWFVQL-UHFFFAOYSA-N 1 0 285.329 -1.600 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681211 776784007 /nfs/dbraw/zinc/78/40/07/776784007.db2.gz KJKZRQKEBNUQQY-LLVKDONJSA-N 1 0 294.355 -1.500 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133663435 776784022 /nfs/dbraw/zinc/78/40/22/776784022.db2.gz YRLJQPNFGUADDA-NXEZZACHSA-N 1 0 299.375 -1.170 20 30 CAEDRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCNC1=O ZINC001133753944 776784507 /nfs/dbraw/zinc/78/45/07/776784507.db2.gz OGLZANFRSJAVLL-GFCCVEGCSA-N 1 0 281.316 -2.142 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753900 776784946 /nfs/dbraw/zinc/78/49/46/776784946.db2.gz NBYZXROVXZBLGM-ZDUSSCGKSA-N 1 0 282.344 -1.479 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681860 776785302 /nfs/dbraw/zinc/78/53/02/776785302.db2.gz ZKPJJIAPCRSBDM-SNVBAGLBSA-N 1 0 295.343 -1.609 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133708715 776785460 /nfs/dbraw/zinc/78/54/60/776785460.db2.gz AJTWNCDYTFJFET-UHFFFAOYSA-N 1 0 293.283 -1.662 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773460 776786353 /nfs/dbraw/zinc/78/63/53/776786353.db2.gz HDWYJKHUHGYFCD-VHSXEESVSA-N 1 0 253.302 -1.252 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770877 776786877 /nfs/dbraw/zinc/78/68/77/776786877.db2.gz IBBPVBDMMSCAAO-VHSXEESVSA-N 1 0 298.343 -1.973 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773223 776786955 /nfs/dbraw/zinc/78/69/55/776786955.db2.gz CRWNULKESXPAPK-WDEREUQCSA-N 1 0 283.328 -1.625 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766605 776787909 /nfs/dbraw/zinc/78/79/09/776787909.db2.gz ITJFYBVERVNCPC-YGRLFVJLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133766604 776788165 /nfs/dbraw/zinc/78/81/65/776788165.db2.gz ITJFYBVERVNCPC-QMTHXVAHSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766602 776788323 /nfs/dbraw/zinc/78/83/23/776788323.db2.gz ITJFYBVERVNCPC-HZMBPMFUSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133906186 776792420 /nfs/dbraw/zinc/79/24/20/776792420.db2.gz PICDXRZLJNRVFP-WDEREUQCSA-N 1 0 296.371 -1.281 20 30 CAEDRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133905838 776792523 /nfs/dbraw/zinc/79/25/23/776792523.db2.gz KEHIAHHEUPKDGX-VHSXEESVSA-N 1 0 295.343 -1.944 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911161 776792788 /nfs/dbraw/zinc/79/27/88/776792788.db2.gz BDNPBOGIYKTWTB-AEJSXWLSSA-N 1 0 280.328 -2.049 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914566 776794372 /nfs/dbraw/zinc/79/43/72/776794372.db2.gz MVTHUVQZANTFKH-UHFFFAOYSA-N 1 0 292.343 -1.797 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914613 776794666 /nfs/dbraw/zinc/79/46/66/776794666.db2.gz NNLPTQHFDMWGNE-AEJSXWLSSA-N 1 0 282.344 -1.496 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950556 776796653 /nfs/dbraw/zinc/79/66/53/776796653.db2.gz CQWYKHFHXGIBCV-UHFFFAOYSA-N 1 0 291.311 -1.818 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942614 776797416 /nfs/dbraw/zinc/79/74/16/776797416.db2.gz DJNNMHNEFRQHAL-ZJUUUORDSA-N 1 0 253.302 -1.537 20 30 CAEDRO Cc1nc(C)c(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]1 ZINC001133989156 776800549 /nfs/dbraw/zinc/80/05/49/776800549.db2.gz LLAYUCYKHGKGRZ-UHFFFAOYSA-N 1 0 278.316 -1.014 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134014590 776801952 /nfs/dbraw/zinc/80/19/52/776801952.db2.gz WHWLEMJUDXDJHS-UHFFFAOYSA-N 1 0 278.316 -1.808 20 30 CAEDRO CC1(C)[C@@H]2C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H]21 ZINC001170721594 776802238 /nfs/dbraw/zinc/80/22/38/776802238.db2.gz XBSHVFOWFPXTMD-KVYJJMQOSA-N 1 0 287.356 -1.347 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134109811 776804327 /nfs/dbraw/zinc/80/43/27/776804327.db2.gz GUMCNWWFYBJQEV-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001134061666 776805455 /nfs/dbraw/zinc/80/54/55/776805455.db2.gz BZEFXWYOSNGOKA-AEJSXWLSSA-N 1 0 298.343 -1.133 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001134131331 776806706 /nfs/dbraw/zinc/80/67/06/776806706.db2.gz VABUZCBQMUJZHX-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(=O)NC ZINC001134167145 776807664 /nfs/dbraw/zinc/80/76/64/776807664.db2.gz DHQQXMHDXPCDJU-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134169046 776807884 /nfs/dbraw/zinc/80/78/84/776807884.db2.gz YRXDFYUGCWASLF-SNVBAGLBSA-N 1 0 283.332 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134167146 776808288 /nfs/dbraw/zinc/80/82/88/776808288.db2.gz DHQQXMHDXPCDJU-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134168894 776809044 /nfs/dbraw/zinc/80/90/44/776809044.db2.gz XLVBCKVRTJNYMP-LLVKDONJSA-N 1 0 282.344 -1.644 20 30 CAEDRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134209789 776810018 /nfs/dbraw/zinc/81/00/18/776810018.db2.gz PCVMNZUKFSWUAG-VHSXEESVSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134178352 776810450 /nfs/dbraw/zinc/81/04/50/776810450.db2.gz KYBXXQURBVBXMJ-PWSUYJOCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353626 776812401 /nfs/dbraw/zinc/81/24/01/776812401.db2.gz VLUPHZPFUKLQAM-JTQLQIEISA-N 1 0 293.389 -1.168 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398609 776813029 /nfs/dbraw/zinc/81/30/29/776813029.db2.gz DFMQHURSZRSFMU-ZJUUUORDSA-N 1 0 292.343 -1.117 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360106 776813134 /nfs/dbraw/zinc/81/31/34/776813134.db2.gz OQDFJVNAWIKYBL-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360105 776813430 /nfs/dbraw/zinc/81/34/30/776813430.db2.gz OQDFJVNAWIKYBL-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134397168 776814240 /nfs/dbraw/zinc/81/42/40/776814240.db2.gz KOLAGTJRYQNAKQ-JTQLQIEISA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455900 776815327 /nfs/dbraw/zinc/81/53/27/776815327.db2.gz LAUKEJUIUIARQH-QMMMGPOBSA-N 1 0 254.290 -1.134 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455952 776815410 /nfs/dbraw/zinc/81/54/10/776815410.db2.gz MMLZDWKRKGICDC-QMMMGPOBSA-N 1 0 295.299 -2.960 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134407064 776815586 /nfs/dbraw/zinc/81/55/86/776815586.db2.gz PFXWKYVQUWZEGY-UHFFFAOYSA-N 1 0 264.289 -1.702 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456443 776818090 /nfs/dbraw/zinc/81/80/90/776818090.db2.gz VOHLZFYPTLMEMF-QMMMGPOBSA-N 1 0 254.290 -1.134 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456233 776818402 /nfs/dbraw/zinc/81/84/02/776818402.db2.gz QTVBVZQWDQBJCR-VIFPVBQESA-N 1 0 282.300 -2.060 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487201 776818821 /nfs/dbraw/zinc/81/88/21/776818821.db2.gz JKPCSIOTHAZZOU-UHFFFAOYSA-N 1 0 264.351 -1.726 20 30 CAEDRO Cc1ccnn1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134523420 776819151 /nfs/dbraw/zinc/81/91/51/776819151.db2.gz HFDGYKUVYHQIBZ-UHFFFAOYSA-N 1 0 278.316 -1.463 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1nccc1C ZINC001134513281 776820347 /nfs/dbraw/zinc/82/03/47/776820347.db2.gz KIRAHLKUBVOJCL-UHFFFAOYSA-N 1 0 277.328 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COC1CCOCC1 ZINC001134633455 776822041 /nfs/dbraw/zinc/82/20/41/776822041.db2.gz RXULZDCPKRLCFV-UHFFFAOYSA-N 1 0 297.355 -1.363 20 30 CAEDRO COCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134659385 776823325 /nfs/dbraw/zinc/82/33/25/776823325.db2.gz AMBCBIDJIZHJIC-JTQLQIEISA-N 1 0 286.332 -1.617 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134673220 776824159 /nfs/dbraw/zinc/82/41/59/776824159.db2.gz LPKKAONWAFHOTM-VXGBXAGGSA-N 1 0 299.371 -1.118 20 30 CAEDRO C=CC[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O ZINC001134672795 776824203 /nfs/dbraw/zinc/82/42/03/776824203.db2.gz BGRSUPKINLRSEN-UHFFFAOYSA-N 1 0 276.300 -1.217 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134641302 776824557 /nfs/dbraw/zinc/82/45/57/776824557.db2.gz UITRSEMVYLOXDL-NSHDSACASA-N 1 0 298.343 -1.615 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134673217 776824516 /nfs/dbraw/zinc/82/45/16/776824516.db2.gz LPKKAONWAFHOTM-NEPJUHHUSA-N 1 0 299.371 -1.118 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134664921 776826131 /nfs/dbraw/zinc/82/61/31/776826131.db2.gz FJIXQDRRELVDQJ-UHFFFAOYSA-N 1 0 264.285 -1.963 20 30 CAEDRO C=CC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829089 776829234 /nfs/dbraw/zinc/82/92/34/776829234.db2.gz BKKMUYWLSQFKEU-VIFPVBQESA-N 1 0 256.306 -1.742 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(COC)on1 ZINC001134911377 776831396 /nfs/dbraw/zinc/83/13/96/776831396.db2.gz VQNRNEOGNFQFOK-UHFFFAOYSA-N 1 0 294.311 -1.110 20 30 CAEDRO C#CC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134961449 776831858 /nfs/dbraw/zinc/83/18/58/776831858.db2.gz RDNZROUHJWPLDF-UHFFFAOYSA-N 1 0 261.347 -1.347 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134936580 776831975 /nfs/dbraw/zinc/83/19/75/776831975.db2.gz YDXBICIJHLGPMS-JTQLQIEISA-N 1 0 284.360 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134936062 776832139 /nfs/dbraw/zinc/83/21/39/776832139.db2.gz CEBSFEBVCCZCFJ-UHFFFAOYSA-N 1 0 268.317 -2.080 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC=C)nn1 ZINC001134973508 776832605 /nfs/dbraw/zinc/83/26/05/776832605.db2.gz UZPHJJDHHGZYPM-UHFFFAOYSA-N 1 0 290.327 -1.467 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H](O)COC)nn1 ZINC001134969824 776834711 /nfs/dbraw/zinc/83/47/11/776834711.db2.gz KZLDYCHKEIVKGA-JTQLQIEISA-N 1 0 283.332 -1.209 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]c1 ZINC001135049538 776834952 /nfs/dbraw/zinc/83/49/52/776834952.db2.gz IUPBCSJSMQPAMO-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)N(C)C)nn1 ZINC001134969788 776835248 /nfs/dbraw/zinc/83/52/48/776835248.db2.gz KFZSTXVEOGKOCX-UHFFFAOYSA-N 1 0 280.332 -1.128 20 30 CAEDRO C=CCCn1cc(C(=O)NCC[NH2+]CC(N)=O)nn1 ZINC001135071909 776835906 /nfs/dbraw/zinc/83/59/06/776835906.db2.gz LYRUVMVMVSPWTL-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO C[C@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135075758 776836105 /nfs/dbraw/zinc/83/61/05/776836105.db2.gz XTQTZPRMRICLSF-SNVBAGLBSA-N 1 0 292.343 -1.066 20 30 CAEDRO C[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135075757 776836564 /nfs/dbraw/zinc/83/65/64/776836564.db2.gz XTQTZPRMRICLSF-JTQLQIEISA-N 1 0 292.343 -1.066 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110887 776836723 /nfs/dbraw/zinc/83/67/23/776836723.db2.gz NCRYQKNKKNOKBD-UHFFFAOYSA-N 1 0 292.343 -1.092 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082176 776837107 /nfs/dbraw/zinc/83/71/07/776837107.db2.gz YQMXNWGKEICHMY-VHSXEESVSA-N 1 0 290.389 -1.454 20 30 CAEDRO Cc1c[nH]c(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001135052254 776837167 /nfs/dbraw/zinc/83/71/67/776837167.db2.gz IFKSWDUMMMFNRG-UHFFFAOYSA-N 1 0 264.289 -1.323 20 30 CAEDRO C=CCCn1cc(C(=O)NCC[NH2+]CC(=O)NC)nn1 ZINC001135071587 776837332 /nfs/dbraw/zinc/83/73/32/776837332.db2.gz IIMMJFKNOWIRSG-UHFFFAOYSA-N 1 0 280.332 -1.080 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)CNC(C)=O ZINC001135169922 776837899 /nfs/dbraw/zinc/83/78/99/776837899.db2.gz ULTMGRACRPDQIQ-UHFFFAOYSA-N 1 0 296.371 -1.396 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176729 776837946 /nfs/dbraw/zinc/83/79/46/776837946.db2.gz UCXXUYZBIDYVRO-VXGBXAGGSA-N 1 0 280.372 -1.076 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135135095 776838095 /nfs/dbraw/zinc/83/80/95/776838095.db2.gz LHQQGEOHLKZWHM-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135155934 776838589 /nfs/dbraw/zinc/83/85/89/776838589.db2.gz YVIFFLRLTYTBNO-UHFFFAOYSA-N 1 0 264.285 -1.686 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176726 776838916 /nfs/dbraw/zinc/83/89/16/776838916.db2.gz UCXXUYZBIDYVRO-NEPJUHHUSA-N 1 0 280.372 -1.076 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001283771943 777916412 /nfs/dbraw/zinc/91/64/12/777916412.db2.gz LIUHWZLTDMFCLW-JTQLQIEISA-N 1 0 278.312 -1.273 20 30 CAEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001283770801 777916560 /nfs/dbraw/zinc/91/65/60/777916560.db2.gz LZOYYOBYAVLSFR-NSHDSACASA-N 1 0 297.359 -1.385 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001283783112 777916763 /nfs/dbraw/zinc/91/67/63/777916763.db2.gz VUDMGYNLWLVKHM-MNOVXSKESA-N 1 0 282.344 -1.523 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001283772275 777916812 /nfs/dbraw/zinc/91/68/12/777916812.db2.gz OKAMVSFMKYUMBN-MRVPVSSYSA-N 1 0 250.258 -1.504 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001283772976 777916859 /nfs/dbraw/zinc/91/68/59/777916859.db2.gz VDNUOWMNBNIWAE-VHSXEESVSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001283771944 777916997 /nfs/dbraw/zinc/91/69/97/777916997.db2.gz LIUHWZLTDMFCLW-SNVBAGLBSA-N 1 0 278.312 -1.273 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001283772276 777917175 /nfs/dbraw/zinc/91/71/75/777917175.db2.gz OKAMVSFMKYUMBN-QMMMGPOBSA-N 1 0 250.258 -1.504 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001283781228 777917217 /nfs/dbraw/zinc/91/72/17/777917217.db2.gz AWWRGHNHNDERHB-MNOVXSKESA-N 1 0 288.369 -1.489 20 30 CAEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283791326 777917675 /nfs/dbraw/zinc/91/76/75/777917675.db2.gz FIGDGZOZTIUOTI-SECBINFHSA-N 1 0 268.321 -1.143 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001283790447 777917762 /nfs/dbraw/zinc/91/77/62/777917762.db2.gz AHVBMPVNFPCRNB-UWVGGRQHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001283793112 777917787 /nfs/dbraw/zinc/91/77/87/777917787.db2.gz SGPUPHFBLFXAJE-NSHDSACASA-N 1 0 282.344 -2.492 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001283795027 777918189 /nfs/dbraw/zinc/91/81/89/777918189.db2.gz BPEZALLPLQCPBG-NXEZZACHSA-N 1 0 255.318 -1.283 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001283793454 777918218 /nfs/dbraw/zinc/91/82/18/777918218.db2.gz VAKUZCBCCMECSX-VIFPVBQESA-N 1 0 266.301 -1.171 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001283783764 777918225 /nfs/dbraw/zinc/91/82/25/777918225.db2.gz JEHJPSDPUNGYJB-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001283793107 777918234 /nfs/dbraw/zinc/91/82/34/777918234.db2.gz SGPUPHFBLFXAJE-LLVKDONJSA-N 1 0 282.344 -2.492 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001283795028 777918322 /nfs/dbraw/zinc/91/83/22/777918322.db2.gz BPEZALLPLQCPBG-UWVGGRQHSA-N 1 0 255.318 -1.283 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001283793453 777918508 /nfs/dbraw/zinc/91/85/08/777918508.db2.gz VAKUZCBCCMECSX-SECBINFHSA-N 1 0 266.301 -1.171 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001283795030 777918576 /nfs/dbraw/zinc/91/85/76/777918576.db2.gz BPEZALLPLQCPBG-ZJUUUORDSA-N 1 0 255.318 -1.283 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001283790448 777918602 /nfs/dbraw/zinc/91/86/02/777918602.db2.gz AHVBMPVNFPCRNB-VHSXEESVSA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001283819017 777920566 /nfs/dbraw/zinc/92/05/66/777920566.db2.gz STZOBDYGVGVBMY-VIFPVBQESA-N 1 0 284.316 -1.819 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC001283818991 777920821 /nfs/dbraw/zinc/92/08/21/777920821.db2.gz SKNSCKYSLCKTSM-SNVBAGLBSA-N 1 0 290.385 -1.100 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001283816573 777920834 /nfs/dbraw/zinc/92/08/34/777920834.db2.gz QGLJLTFYXGLINX-JTQLQIEISA-N 1 0 278.312 -1.183 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001283817398 777921068 /nfs/dbraw/zinc/92/10/68/777921068.db2.gz SXAWWOSAVWXPFT-VIFPVBQESA-N 1 0 296.327 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncccn1 ZINC001283819146 777921191 /nfs/dbraw/zinc/92/11/91/777921191.db2.gz ZJKWATWMXBNDAY-SNVBAGLBSA-N 1 0 291.311 -2.094 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001283817393 777921215 /nfs/dbraw/zinc/92/12/15/777921215.db2.gz SXAWWOSAVWXPFT-SECBINFHSA-N 1 0 296.327 -1.009 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cccnc1C(N)=O ZINC001283831896 777921940 /nfs/dbraw/zinc/92/19/40/777921940.db2.gz PDHHVSKRYVDXLR-SNVBAGLBSA-N 1 0 290.323 -1.116 20 30 CAEDRO N#CCNC(=O)CN[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001283827363 777922502 /nfs/dbraw/zinc/92/25/02/777922502.db2.gz LFTMRAUXIWHBHP-LLVKDONJSA-N 1 0 297.359 -2.211 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001283827643 777922659 /nfs/dbraw/zinc/92/26/59/777922659.db2.gz PCDIIBYSUKRIIB-SNVBAGLBSA-N 1 0 251.290 -1.632 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001283827061 777922665 /nfs/dbraw/zinc/92/26/65/777922665.db2.gz GIWPAKKXNGVKRM-VIFPVBQESA-N 1 0 291.311 -1.721 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001283842904 777923819 /nfs/dbraw/zinc/92/38/19/777923819.db2.gz RGXKMXJUXJSYEK-IUCAKERBSA-N 1 0 267.285 -2.261 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1[nH]cnc1C ZINC001283842301 777923958 /nfs/dbraw/zinc/92/39/58/777923958.db2.gz OTRNECDNZOWKCB-JTQLQIEISA-N 1 0 293.327 -1.852 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001284000373 777926481 /nfs/dbraw/zinc/92/64/81/777926481.db2.gz NBBQVMFQIHTDHW-VHSXEESVSA-N 1 0 288.373 -1.748 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001284000369 777926657 /nfs/dbraw/zinc/92/66/57/777926657.db2.gz NBBQVMFQIHTDHW-NXEZZACHSA-N 1 0 288.373 -1.748 20 30 CAEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1nc[nH]n1 ZINC001284015410 777926901 /nfs/dbraw/zinc/92/69/01/777926901.db2.gz RWVMLCAUKQAUPM-RKDXNWHRSA-N 1 0 291.315 -1.363 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001284468383 777945089 /nfs/dbraw/zinc/94/50/89/777945089.db2.gz OJPZTAJVCCSJDN-SECBINFHSA-N 1 0 277.346 -2.422 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001284468384 777945512 /nfs/dbraw/zinc/94/55/12/777945512.db2.gz OJPZTAJVCCSJDN-VIFPVBQESA-N 1 0 277.346 -2.422 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C#CC1CC1 ZINC001284404273 777939285 /nfs/dbraw/zinc/93/92/85/777939285.db2.gz WXLLJMRCXBINBR-GFCCVEGCSA-N 1 0 292.339 -1.552 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CC(=O)NCC ZINC001284403037 777939305 /nfs/dbraw/zinc/93/93/05/777939305.db2.gz TVCJTVAMQZRKDA-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001284416156 777939734 /nfs/dbraw/zinc/93/97/34/777939734.db2.gz LBARUALVLYNJEO-UWVGGRQHSA-N 1 0 298.343 -1.431 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001284416502 777939814 /nfs/dbraw/zinc/93/98/14/777939814.db2.gz OFJKVQHSBVSZPX-NSHDSACASA-N 1 0 285.344 -1.560 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001284416501 777940186 /nfs/dbraw/zinc/94/01/86/777940186.db2.gz OFJKVQHSBVSZPX-LLVKDONJSA-N 1 0 285.344 -1.560 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCO ZINC001284417201 777940244 /nfs/dbraw/zinc/94/02/44/777940244.db2.gz UIIZKLKAYNJYSX-KGLIPLIRSA-N 1 0 297.399 -1.125 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)COCc1ccnn1C ZINC001284425480 777940628 /nfs/dbraw/zinc/94/06/28/777940628.db2.gz QIJKRQKJGVQJMS-CYBMUJFWSA-N 1 0 294.355 -1.021 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001284425962 777940659 /nfs/dbraw/zinc/94/06/59/777940659.db2.gz YFVITIJRJYDDNA-SECBINFHSA-N 1 0 264.285 -1.162 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001284430461 777940713 /nfs/dbraw/zinc/94/07/13/777940713.db2.gz RHOAREOLUNYLGZ-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001284430464 777940899 /nfs/dbraw/zinc/94/08/99/777940899.db2.gz RHOAREOLUNYLGZ-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001284424916 777940976 /nfs/dbraw/zinc/94/09/76/777940976.db2.gz KWMHHMHENIUOPM-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284428596 777941022 /nfs/dbraw/zinc/94/10/22/777941022.db2.gz HBXQNBIRYIKTJD-NSHDSACASA-N 1 0 297.359 -1.433 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284428593 777941031 /nfs/dbraw/zinc/94/10/31/777941031.db2.gz HBXQNBIRYIKTJD-LLVKDONJSA-N 1 0 297.359 -1.433 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284429214 777941121 /nfs/dbraw/zinc/94/11/21/777941121.db2.gz JPVSPBWUHJIUGM-JTQLQIEISA-N 1 0 281.316 -2.376 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284429218 777941298 /nfs/dbraw/zinc/94/12/98/777941298.db2.gz JPVSPBWUHJIUGM-SNVBAGLBSA-N 1 0 281.316 -2.376 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284435026 777941423 /nfs/dbraw/zinc/94/14/23/777941423.db2.gz CGIWACUIQLHYTC-JTQLQIEISA-N 1 0 278.312 -1.184 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001284435665 777942964 /nfs/dbraw/zinc/94/29/64/777942964.db2.gz JYQPRDWUDCTQKT-NEPJUHHUSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001284467953 777944733 /nfs/dbraw/zinc/94/47/33/777944733.db2.gz MJTQPLZAPKHVCX-GFCCVEGCSA-N 1 0 277.324 -1.110 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001284471305 777944784 /nfs/dbraw/zinc/94/47/84/777944784.db2.gz ZVSBYOKDQIMORO-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001284467248 777945370 /nfs/dbraw/zinc/94/53/70/777945370.db2.gz HTMOCSJCKYQJIY-VIFPVBQESA-N 1 0 282.300 -2.420 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001284476603 777945969 /nfs/dbraw/zinc/94/59/69/777945969.db2.gz JAMVPUAPRIRDSW-QWRGUYRKSA-N 1 0 295.339 -1.529 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001284467954 777946107 /nfs/dbraw/zinc/94/61/07/777946107.db2.gz MJTQPLZAPKHVCX-LBPRGKRZSA-N 1 0 277.324 -1.110 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001284492201 777946550 /nfs/dbraw/zinc/94/65/50/777946550.db2.gz HNGDLBJZKJQZEE-NWDGAFQWSA-N 1 0 281.356 -1.151 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001284492200 777946873 /nfs/dbraw/zinc/94/68/73/777946873.db2.gz HNGDLBJZKJQZEE-NEPJUHHUSA-N 1 0 281.356 -1.151 20 30 CAEDRO C=C(CO)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001290445379 778027737 /nfs/dbraw/zinc/02/77/37/778027737.db2.gz BCMPEVZPQVAUCL-UHFFFAOYSA-N 1 0 255.318 -1.233 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)C(N)=O)CC1 ZINC001295633676 778084159 /nfs/dbraw/zinc/08/41/59/778084159.db2.gz MJLLOQIRMMSPDE-JTQLQIEISA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001303792001 778142438 /nfs/dbraw/zinc/14/24/38/778142438.db2.gz DYSCGQSRERMAFG-JTQLQIEISA-N 1 0 268.317 -1.771 20 30 CAEDRO CC#CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001117358778 779531874 /nfs/dbraw/zinc/53/18/74/779531874.db2.gz BIGMLWSNENPQPO-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO CC#CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001117358777 779532131 /nfs/dbraw/zinc/53/21/31/779532131.db2.gz BIGMLWSNENPQPO-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001117439533 779534560 /nfs/dbraw/zinc/53/45/60/779534560.db2.gz WLGKLCXIWYBGDM-UHFFFAOYSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC001117973247 779545376 /nfs/dbraw/zinc/54/53/76/779545376.db2.gz RTAOMKGBZFCWLF-SNVBAGLBSA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC001117973246 779545407 /nfs/dbraw/zinc/54/54/07/779545407.db2.gz RTAOMKGBZFCWLF-JTQLQIEISA-N 1 0 253.302 -1.427 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001118088674 779547195 /nfs/dbraw/zinc/54/71/95/779547195.db2.gz NNJBIXIRECTCFE-SNVBAGLBSA-N 1 0 278.378 -1.668 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118150086 779549539 /nfs/dbraw/zinc/54/95/39/779549539.db2.gz WWUZIPBMPXTRFA-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO COC(=O)[C@@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC001118180818 779550121 /nfs/dbraw/zinc/55/01/21/779550121.db2.gz OILIEURZHXNEIH-UWVGGRQHSA-N 1 0 259.306 -1.684 20 30 CAEDRO COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001118180819 779552082 /nfs/dbraw/zinc/55/20/82/779552082.db2.gz OILIEURZHXNEIH-ZJUUUORDSA-N 1 0 259.306 -1.684 20 30 CAEDRO C=CCN(C(=O)CNC(=O)C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC001118200339 779552618 /nfs/dbraw/zinc/55/26/18/779552618.db2.gz ACZWAQNZYVATTF-VIFPVBQESA-N 1 0 289.357 -1.737 20 30 CAEDRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001118203099 779552710 /nfs/dbraw/zinc/55/27/10/779552710.db2.gz CEDNGFHXFLOMBZ-RQJHMYQMSA-N 1 0 279.256 -2.365 20 30 CAEDRO CS(=O)(=O)NCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001118204340 779554568 /nfs/dbraw/zinc/55/45/68/779554568.db2.gz JJADHQKELKCPJN-SFYZADRCSA-N 1 0 260.319 -1.847 20 30 CAEDRO CS(=O)(=O)NCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001118204339 779554585 /nfs/dbraw/zinc/55/45/85/779554585.db2.gz JJADHQKELKCPJN-JGVFFNPUSA-N 1 0 260.319 -1.847 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C[NH3+])C2)C1=O ZINC001118260358 779557662 /nfs/dbraw/zinc/55/76/62/779557662.db2.gz HCERKCQWXDYQRX-SECBINFHSA-N 1 0 294.311 -1.230 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001118269576 779559001 /nfs/dbraw/zinc/55/90/01/779559001.db2.gz KWXGAWVIYRVWKS-YUMQZZPRSA-N 1 0 263.257 -1.823 20 30 CAEDRO C[NH+]=C(NC[C@]1(O)CCS(=O)(=O)C1)NC1CC1 ZINC001118411457 779568604 /nfs/dbraw/zinc/56/86/04/779568604.db2.gz INMFBFSQVFYYRB-SNVBAGLBSA-N 1 0 261.347 -1.137 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC001118511324 779573585 /nfs/dbraw/zinc/57/35/85/779573585.db2.gz UBQPLSJMGAYGDT-IVZWLZJFSA-N 1 0 284.291 -1.365 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC001118511377 779573656 /nfs/dbraw/zinc/57/36/56/779573656.db2.gz VBWBYLDAHRAEAE-JTQLQIEISA-N 1 0 253.302 -1.346 20 30 CAEDRO NC(=O)[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC001118569973 779576639 /nfs/dbraw/zinc/57/66/39/779576639.db2.gz VGRMZTJOFPHTFZ-NSHDSACASA-N 1 0 265.313 -1.298 20 30 CAEDRO C#CCNC(=O)CC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001118846458 779589942 /nfs/dbraw/zinc/58/99/42/779589942.db2.gz KWHINKUZIMMBIT-UHFFFAOYSA-N 1 0 288.373 -1.617 20 30 CAEDRO CN(CCOCC[NH3+])C(=O)NCCn1cnc(C#N)n1 ZINC001118862091 779591029 /nfs/dbraw/zinc/59/10/29/779591029.db2.gz IRFKSQOTIMYEAA-UHFFFAOYSA-N 1 0 281.320 -1.234 20 30 CAEDRO CN1C(=O)CN(CC(=O)NC2(C#N)CC[NH+](C)CC2)C1=O ZINC001118873969 779593872 /nfs/dbraw/zinc/59/38/72/779593872.db2.gz PMOCRDZJOSLIAN-UHFFFAOYSA-N 1 0 293.327 -1.015 20 30 CAEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001118904320 779595510 /nfs/dbraw/zinc/59/55/10/779595510.db2.gz ZRIDHWQTOGNZTP-BDAKNGLRSA-N 1 0 254.290 -1.457 20 30 CAEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001118904325 779595682 /nfs/dbraw/zinc/59/56/82/779595682.db2.gz ZRIDHWQTOGNZTP-IUCAKERBSA-N 1 0 254.290 -1.457 20 30 CAEDRO C[NH2+]CCOCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001118930424 779598104 /nfs/dbraw/zinc/59/81/04/779598104.db2.gz UWEYLYBKTRWALP-SNVBAGLBSA-N 1 0 284.316 -1.910 20 30 CAEDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001119037463 779603221 /nfs/dbraw/zinc/60/32/21/779603221.db2.gz TYTFQEJXFWBIJL-JQWIXIFHSA-N 1 0 293.371 -1.009 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCN1C1CC1 ZINC001119014119 779603528 /nfs/dbraw/zinc/60/35/28/779603528.db2.gz MPQGHIJEQRUJMT-LBPRGKRZSA-N 1 0 291.355 -1.383 20 30 CAEDRO C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ncn(C)n2)C1 ZINC001119410723 779613060 /nfs/dbraw/zinc/61/30/60/779613060.db2.gz HQOOIDXDAVGPKD-JTQLQIEISA-N 1 0 290.327 -1.033 20 30 CAEDRO CCN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)[C@@H]1CC[NH2+]C1 ZINC001119439249 779614705 /nfs/dbraw/zinc/61/47/05/779614705.db2.gz SHFIHGJHKLZLMT-MNOVXSKESA-N 1 0 280.328 -1.052 20 30 CAEDRO N#CCNC(=O)CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC001119474855 779615788 /nfs/dbraw/zinc/61/57/88/779615788.db2.gz OPYGJAVDYAREJK-UHFFFAOYSA-N 1 0 280.328 -1.147 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1CCC(=O)NC1=O ZINC001119595838 779618618 /nfs/dbraw/zinc/61/86/18/779618618.db2.gz GMDCUWPTPHWDEV-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC001119607964 779618993 /nfs/dbraw/zinc/61/89/93/779618993.db2.gz QDHBUHYWTUEWPC-GHMZBOCLSA-N 1 0 280.328 -1.065 20 30 CAEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC001119607970 779619429 /nfs/dbraw/zinc/61/94/29/779619429.db2.gz QDHBUHYWTUEWPC-WDEREUQCSA-N 1 0 280.328 -1.065 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[NH2+]CC2)CCO1 ZINC001120270314 779633797 /nfs/dbraw/zinc/63/37/97/779633797.db2.gz LVYLFKJEPUNILY-GFCCVEGCSA-N 1 0 266.301 -1.441 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001120380241 779634572 /nfs/dbraw/zinc/63/45/72/779634572.db2.gz HSZVFZUAGWPKKB-WISYIIOYSA-N 1 0 257.334 -1.333 20 30 CAEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001120379766 779634685 /nfs/dbraw/zinc/63/46/85/779634685.db2.gz ZIUZNTOMECHWDL-LBPRGKRZSA-N 1 0 268.317 -1.195 20 30 CAEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001120378356 779634716 /nfs/dbraw/zinc/63/47/16/779634716.db2.gz RZJCLPZFWMQDGS-BXKDBHETSA-N 1 0 268.317 -1.067 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001120420883 779636599 /nfs/dbraw/zinc/63/65/99/779636599.db2.gz QJSMGTMEMLWQHB-SNVBAGLBSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001120420882 779636941 /nfs/dbraw/zinc/63/69/41/779636941.db2.gz QJSMGTMEMLWQHB-JTQLQIEISA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCNS(C)(=O)=O ZINC001120482388 779638845 /nfs/dbraw/zinc/63/88/45/779638845.db2.gz YQHRFTJONOQXRA-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121663510 779650867 /nfs/dbraw/zinc/65/08/67/779650867.db2.gz MWOHSNLGZFBXQL-UHFFFAOYSA-N 1 0 292.339 -1.762 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001122118649 779658380 /nfs/dbraw/zinc/65/83/80/779658380.db2.gz LGWYWPOCEQMWCC-KRWDZBQOSA-N 1 0 258.347 -1.055 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@H](C(=O)OCC)C1 ZINC001122119488 779658436 /nfs/dbraw/zinc/65/84/36/779658436.db2.gz DCGNKTYFBSIKMD-JTQLQIEISA-N 1 0 254.286 -1.000 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001122163912 779659903 /nfs/dbraw/zinc/65/99/03/779659903.db2.gz FURVIGZNGJQNKV-UHFFFAOYSA-N 1 0 285.369 -1.154 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(C)=O ZINC001122678908 779674370 /nfs/dbraw/zinc/67/43/70/779674370.db2.gz DKMARHVXKBMQDG-SECBINFHSA-N 1 0 270.333 -1.481 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(C)=O ZINC001122680220 779674494 /nfs/dbraw/zinc/67/44/94/779674494.db2.gz SZGQISUNCGGXLQ-VIFPVBQESA-N 1 0 268.317 -2.034 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(C)=O ZINC001122678910 779674928 /nfs/dbraw/zinc/67/49/28/779674928.db2.gz DKMARHVXKBMQDG-VIFPVBQESA-N 1 0 270.333 -1.481 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1=COCCO1 ZINC001123019683 779676547 /nfs/dbraw/zinc/67/65/47/779676547.db2.gz PIRQOYJXQFJXCI-UHFFFAOYSA-N 1 0 268.273 -1.780 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123071369 779678067 /nfs/dbraw/zinc/67/80/67/779678067.db2.gz DCCLSJUKRDPACZ-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123104528 779680546 /nfs/dbraw/zinc/68/05/46/779680546.db2.gz UXVVYOZDIFCBQT-VIFPVBQESA-N 1 0 291.311 -1.361 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCO1 ZINC001123144082 779680830 /nfs/dbraw/zinc/68/08/30/779680830.db2.gz ODLJADPJVIGTAN-SECBINFHSA-N 1 0 254.290 -1.489 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(N)=O ZINC001123264216 779684739 /nfs/dbraw/zinc/68/47/39/779684739.db2.gz VKRSAGNFDRDGAC-QMMMGPOBSA-N 1 0 271.321 -1.949 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123312806 779684990 /nfs/dbraw/zinc/68/49/90/779684990.db2.gz IWSRMNRKPHDUGI-UHFFFAOYSA-N 1 0 254.294 -1.419 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CNC(N)=O ZINC001123257514 779685134 /nfs/dbraw/zinc/68/51/34/779685134.db2.gz JDXTYWBSAZVDLH-UHFFFAOYSA-N 1 0 298.347 -1.877 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123305067 779686386 /nfs/dbraw/zinc/68/63/86/779686386.db2.gz MYNBGINTXXJIAG-UHFFFAOYSA-N 1 0 267.293 -2.319 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335448 779688202 /nfs/dbraw/zinc/68/82/02/779688202.db2.gz RSHOMOBBLOBQDZ-VIFPVBQESA-N 1 0 281.320 -1.930 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335200 779688341 /nfs/dbraw/zinc/68/83/41/779688341.db2.gz HSXQJXPGUQEGBB-SECBINFHSA-N 1 0 279.304 -2.483 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335447 779688367 /nfs/dbraw/zinc/68/83/67/779688367.db2.gz RSHOMOBBLOBQDZ-SECBINFHSA-N 1 0 281.320 -1.930 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1 ZINC001123353769 779689183 /nfs/dbraw/zinc/68/91/83/779689183.db2.gz PDVDQIMQQSFMII-UHFFFAOYSA-N 1 0 263.301 -1.511 20 30 CAEDRO Cc1nnsc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123373972 779689347 /nfs/dbraw/zinc/68/93/47/779689347.db2.gz JFXOJGYRUNVTGQ-UHFFFAOYSA-N 1 0 282.329 -1.194 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1snnc1C ZINC001123373790 779689659 /nfs/dbraw/zinc/68/96/59/779689659.db2.gz GLQVOZFAJVDZGX-UHFFFAOYSA-N 1 0 281.341 -1.085 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cncn1 ZINC001123675828 779691442 /nfs/dbraw/zinc/69/14/42/779691442.db2.gz CLGSICWMTRQRHT-LLVKDONJSA-N 1 0 292.343 -1.488 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cncn1 ZINC001123675829 779692205 /nfs/dbraw/zinc/69/22/05/779692205.db2.gz CLGSICWMTRQRHT-NSHDSACASA-N 1 0 292.343 -1.488 20 30 CAEDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC(O)(CC#N)C1 ZINC001123788557 779692978 /nfs/dbraw/zinc/69/29/78/779692978.db2.gz BLLUZZRDUKKOOV-QWRGUYRKSA-N 1 0 264.329 -1.138 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001123792212 779693161 /nfs/dbraw/zinc/69/31/61/779693161.db2.gz NBGFRAFISWZUQF-MRVPVSSYSA-N 1 0 256.331 -1.163 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123869246 779695139 /nfs/dbraw/zinc/69/51/39/779695139.db2.gz FTEAFCDRRVBEAW-VIFPVBQESA-N 1 0 270.289 -2.253 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123869241 779695532 /nfs/dbraw/zinc/69/55/32/779695532.db2.gz FTEAFCDRRVBEAW-SECBINFHSA-N 1 0 270.289 -2.253 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2COCCO2)C1=O ZINC001123877688 779697357 /nfs/dbraw/zinc/69/73/57/779697357.db2.gz UOHSMJFZPMUONK-NWDGAFQWSA-N 1 0 297.355 -1.106 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123911324 779698199 /nfs/dbraw/zinc/69/81/99/779698199.db2.gz MAKOZAAXXYDAHX-VIFPVBQESA-N 1 0 263.301 -1.133 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890777 779698482 /nfs/dbraw/zinc/69/84/82/779698482.db2.gz CKQFBPBXINBYLI-GHMZBOCLSA-N 1 0 285.344 -1.202 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890735 779698677 /nfs/dbraw/zinc/69/86/77/779698677.db2.gz BHMSCOBBYRTYNT-WDEREUQCSA-N 1 0 283.328 -1.755 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCO1 ZINC001124033112 779701618 /nfs/dbraw/zinc/70/16/18/779701618.db2.gz KNGODPAPHGYTOI-JTQLQIEISA-N 1 0 268.317 -1.099 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124084823 779703264 /nfs/dbraw/zinc/70/32/64/779703264.db2.gz UXESDYMRSUDFPD-UHFFFAOYSA-N 1 0 282.344 -1.479 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnsn1 ZINC001124154694 779704306 /nfs/dbraw/zinc/70/43/06/779704306.db2.gz OCWVLSFWGKPYPU-UHFFFAOYSA-N 1 0 267.314 -1.393 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnsn1 ZINC001124167879 779705154 /nfs/dbraw/zinc/70/51/54/779705154.db2.gz IPHNFWLIAHADQC-QMMMGPOBSA-N 1 0 281.341 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)CCC ZINC001124350912 779710243 /nfs/dbraw/zinc/71/02/43/779710243.db2.gz QAGXKYFWTLSGTG-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124366880 779710299 /nfs/dbraw/zinc/71/02/99/779710299.db2.gz NHBGFQZWROANQA-VIFPVBQESA-N 1 0 289.357 -2.125 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124366879 779710549 /nfs/dbraw/zinc/71/05/49/779710549.db2.gz NHBGFQZWROANQA-SECBINFHSA-N 1 0 289.357 -2.125 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124509309 779712314 /nfs/dbraw/zinc/71/23/14/779712314.db2.gz NKVBRDQJHKVHOZ-GHMZBOCLSA-N 1 0 267.329 -1.133 20 30 CAEDRO COC(=O)[C@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124663978 779713275 /nfs/dbraw/zinc/71/32/75/779713275.db2.gz SVBLRAUFUNECAI-BDAKNGLRSA-N 1 0 282.300 -1.859 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnn1C ZINC001124561372 779713389 /nfs/dbraw/zinc/71/33/89/779713389.db2.gz LKTBDKLTEIMPEM-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnn1C ZINC001124561373 779713856 /nfs/dbraw/zinc/71/38/56/779713856.db2.gz LKTBDKLTEIMPEM-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124663983 779714284 /nfs/dbraw/zinc/71/42/84/779714284.db2.gz SVBLRAUFUNECAI-DTWKUNHWSA-N 1 0 282.300 -1.859 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001124664564 779714618 /nfs/dbraw/zinc/71/46/18/779714618.db2.gz XNZFZJDFKQNPGI-NXEZZACHSA-N 1 0 281.312 -1.749 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001124664567 779714744 /nfs/dbraw/zinc/71/47/44/779714744.db2.gz XNZFZJDFKQNPGI-ZJUUUORDSA-N 1 0 281.312 -1.749 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001124664565 779715342 /nfs/dbraw/zinc/71/53/42/779715342.db2.gz XNZFZJDFKQNPGI-UWVGGRQHSA-N 1 0 281.312 -1.749 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cocn1 ZINC001124778026 779716201 /nfs/dbraw/zinc/71/62/01/779716201.db2.gz JVBKFJOAQISBGR-UHFFFAOYSA-N 1 0 251.246 -1.366 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCC(=O)NCC ZINC001124726965 779716303 /nfs/dbraw/zinc/71/63/03/779716303.db2.gz NKRYOPKUGJJWPM-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO CCNC(=O)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124726571 779716331 /nfs/dbraw/zinc/71/63/31/779716331.db2.gz GSDYVIMLCZTKDP-UHFFFAOYSA-N 1 0 283.332 -1.752 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001124772642 779716518 /nfs/dbraw/zinc/71/65/18/779716518.db2.gz HTWFRTPLNZTPJV-UHFFFAOYSA-N 1 0 284.316 -1.553 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001124767392 779716726 /nfs/dbraw/zinc/71/67/26/779716726.db2.gz FFLYZAFSDGZDQZ-UHFFFAOYSA-N 1 0 293.389 -1.214 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124809967 779717960 /nfs/dbraw/zinc/71/79/60/779717960.db2.gz DJKTZAGRFKOPKR-NXEZZACHSA-N 1 0 282.344 -1.339 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124814636 779718573 /nfs/dbraw/zinc/71/85/73/779718573.db2.gz LFBHPTGOOALLKA-GHMZBOCLSA-N 1 0 294.355 -1.242 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001124895353 779718958 /nfs/dbraw/zinc/71/89/58/779718958.db2.gz GWRNNFGTMGIPGP-VIFPVBQESA-N 1 0 276.362 -1.257 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001124908128 779719560 /nfs/dbraw/zinc/71/95/60/779719560.db2.gz DKWQKEYDKWMYTH-RNFRBKRXSA-N 1 0 255.278 -1.565 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124903189 779719853 /nfs/dbraw/zinc/71/98/53/779719853.db2.gz OYSCUQKWVBRRJM-SECBINFHSA-N 1 0 281.316 -1.206 20 30 CAEDRO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)C(=O)NC(N)=O ZINC001124908127 779719885 /nfs/dbraw/zinc/71/98/85/779719885.db2.gz DKWQKEYDKWMYTH-NKWVEPMBSA-N 1 0 255.278 -1.565 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124889015 779719949 /nfs/dbraw/zinc/71/99/49/779719949.db2.gz OPKSIPPVBUFUCY-SECBINFHSA-N 1 0 281.316 -1.136 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124903194 779720019 /nfs/dbraw/zinc/72/00/19/779720019.db2.gz OYSCUQKWVBRRJM-VIFPVBQESA-N 1 0 281.316 -1.206 20 30 CAEDRO CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001125010436 779721174 /nfs/dbraw/zinc/72/11/74/779721174.db2.gz DTPBNHJMPDLCOD-UHFFFAOYSA-N 1 0 278.316 -1.138 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125029182 779721495 /nfs/dbraw/zinc/72/14/95/779721495.db2.gz NBJWALSJTTUKAD-UHFFFAOYSA-N 1 0 278.316 -1.320 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125141670 779722806 /nfs/dbraw/zinc/72/28/06/779722806.db2.gz XHMVHDHXJYRNCF-UHFFFAOYSA-N 1 0 264.289 -1.702 20 30 CAEDRO N[C@@H]1NCN(C(=O)C#Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001142863834 779762677 /nfs/dbraw/zinc/76/26/77/779762677.db2.gz BFRXGPGRDACMIW-MCIONIFRSA-N 1 0 271.324 -1.443 20 30 CAEDRO N[C@@H]1NCN(C(=O)C#Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001142863833 779762847 /nfs/dbraw/zinc/76/28/47/779762847.db2.gz BFRXGPGRDACMIW-BFHYXJOUSA-N 1 0 271.324 -1.443 20 30 CAEDRO C[NH+]1CCN(CCC(=O)N2CCNC[C@H]2C#N)CC1 ZINC001143225310 779770177 /nfs/dbraw/zinc/77/01/77/779770177.db2.gz YDBSRVJCKSECPU-GFCCVEGCSA-N 1 0 265.361 -1.052 20 30 CAEDRO CC(=O)N(C)CCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149259872 779774319 /nfs/dbraw/zinc/77/43/19/779774319.db2.gz GPJLWGPYQHJOOS-UHFFFAOYSA-N 1 0 297.359 -1.410 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCN(C)C(C)=O ZINC001149248364 779774684 /nfs/dbraw/zinc/77/46/84/779774684.db2.gz VGWMGJFGFWTMRA-UHFFFAOYSA-N 1 0 296.371 -1.300 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001149318697 779776043 /nfs/dbraw/zinc/77/60/43/779776043.db2.gz XXCOAARKXUGRRM-GFCCVEGCSA-N 1 0 294.355 -1.690 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149531246 779779799 /nfs/dbraw/zinc/77/97/99/779779799.db2.gz WAOYCHUAIYMTNV-ZDUSSCGKSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149531027 779780229 /nfs/dbraw/zinc/78/02/29/779780229.db2.gz QEANHUDFFUEPRU-LBPRGKRZSA-N 1 0 267.329 -1.037 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149539587 779780243 /nfs/dbraw/zinc/78/02/43/779780243.db2.gz XGBGYVWHXLJVHU-LBPRGKRZSA-N 1 0 267.329 -1.037 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149577389 779780798 /nfs/dbraw/zinc/78/07/98/779780798.db2.gz YNTPRXSCNRAEQD-UHFFFAOYSA-N 1 0 265.317 -1.381 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576373 779781981 /nfs/dbraw/zinc/78/19/81/779781981.db2.gz DIEDZVHHPRKHFE-UHFFFAOYSA-N 1 0 297.359 -1.201 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150217673 779787403 /nfs/dbraw/zinc/78/74/03/779787403.db2.gz AVVVIWLGEGFCQF-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150234406 779788301 /nfs/dbraw/zinc/78/83/01/779788301.db2.gz SPEOJGYCMSWUHK-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO C=CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150218689 779788314 /nfs/dbraw/zinc/78/83/14/779788314.db2.gz JAXQJVNXNXVRIX-NSHDSACASA-N 1 0 285.344 -1.119 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cncn1 ZINC001150250164 779788454 /nfs/dbraw/zinc/78/84/54/779788454.db2.gz PJEMAEFEPDAZKY-JTQLQIEISA-N 1 0 278.316 -1.878 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150344377 779791332 /nfs/dbraw/zinc/79/13/32/779791332.db2.gz AOCUDGUKAGKZAQ-UHFFFAOYSA-N 1 0 274.708 -1.004 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150331165 779791345 /nfs/dbraw/zinc/79/13/45/779791345.db2.gz HVYCSNRDKZQJLY-UHFFFAOYSA-N 1 0 282.300 -2.106 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150339008 779791823 /nfs/dbraw/zinc/79/18/23/779791823.db2.gz JPSWHWXJBHEWTL-UHFFFAOYSA-N 1 0 254.290 -1.180 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150414695 779792625 /nfs/dbraw/zinc/79/26/25/779792625.db2.gz OZNVENRNSQTDBQ-SECBINFHSA-N 1 0 266.301 -1.296 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150399967 779792774 /nfs/dbraw/zinc/79/27/74/779792774.db2.gz JUJCTOINQKXEDF-SNVBAGLBSA-N 1 0 296.327 -1.670 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150400619 779792859 /nfs/dbraw/zinc/79/28/59/779792859.db2.gz OKYSKJFSSVRFPB-VIFPVBQESA-N 1 0 266.301 -1.296 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150398781 779793117 /nfs/dbraw/zinc/79/31/17/779793117.db2.gz AWEYBODULJZQAT-QMMMGPOBSA-N 1 0 252.274 -1.686 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150472954 779796261 /nfs/dbraw/zinc/79/62/61/779796261.db2.gz MOBVJFUWBQJUIR-UHFFFAOYSA-N 1 0 281.312 -1.509 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150984133 779800076 /nfs/dbraw/zinc/80/00/76/779800076.db2.gz MQIQFMJDCNVTFA-UHFFFAOYSA-N 1 0 264.285 -1.171 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150983764 779800395 /nfs/dbraw/zinc/80/03/95/779800395.db2.gz DMUYOICHBIAMAU-UHFFFAOYSA-N 1 0 264.285 -1.171 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001151016287 779802933 /nfs/dbraw/zinc/80/29/33/779802933.db2.gz XIUNXZJVQYZSCW-UHFFFAOYSA-N 1 0 289.401 -1.001 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(C)n1 ZINC001151081155 779804441 /nfs/dbraw/zinc/80/44/41/779804441.db2.gz SVJUVNWUFRNRLS-UHFFFAOYSA-N 1 0 263.301 -1.511 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151167227 779806120 /nfs/dbraw/zinc/80/61/20/779806120.db2.gz DZMICLZPMZDTRO-UHFFFAOYSA-N 1 0 293.327 -1.265 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306191 779807674 /nfs/dbraw/zinc/80/76/74/779807674.db2.gz BCYVTGMPDZCKPR-VIFPVBQESA-N 1 0 259.331 -1.593 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306190 779807963 /nfs/dbraw/zinc/80/79/63/779807963.db2.gz BCYVTGMPDZCKPR-SECBINFHSA-N 1 0 259.331 -1.593 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001151672357 779812986 /nfs/dbraw/zinc/81/29/86/779812986.db2.gz BZLJDGWSLDVHSR-LLVKDONJSA-N 1 0 288.369 -1.081 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001151748905 779814565 /nfs/dbraw/zinc/81/45/65/779814565.db2.gz LNTGPSJLBKNEFE-GFCCVEGCSA-N 1 0 298.387 -1.285 20 30 CAEDRO CCN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001151749235 779815259 /nfs/dbraw/zinc/81/52/59/779815259.db2.gz SPGNVZMKZIDKSI-LLVKDONJSA-N 1 0 297.359 -1.947 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001151740440 779815600 /nfs/dbraw/zinc/81/56/00/779815600.db2.gz SZESEFSBTOTHPB-LBPRGKRZSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152260958 779821067 /nfs/dbraw/zinc/82/10/67/779821067.db2.gz TXXNNHSFQSKWCN-UHFFFAOYSA-N 1 0 264.289 -2.267 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(=O)NC ZINC001152283333 779821445 /nfs/dbraw/zinc/82/14/45/779821445.db2.gz YLRGHNZQPNHDPY-UHFFFAOYSA-N 1 0 297.359 -1.851 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)C1CCC1 ZINC001152303742 779821614 /nfs/dbraw/zinc/82/16/14/779821614.db2.gz ADPXCYSGQSVQBN-UHFFFAOYSA-N 1 0 295.343 -1.752 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(=O)NC ZINC001152275994 779821952 /nfs/dbraw/zinc/82/19/52/779821952.db2.gz PZFFZWJEUGBVFZ-UHFFFAOYSA-N 1 0 299.375 -1.298 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409665 779822322 /nfs/dbraw/zinc/82/23/22/779822322.db2.gz LBCZXEWUJVRUGM-UHFFFAOYSA-N 1 0 286.723 -1.165 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414554 779822623 /nfs/dbraw/zinc/82/26/23/779822623.db2.gz AWTZSFVNGKZOFH-UHFFFAOYSA-N 1 0 296.331 -1.715 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CCO ZINC001152404574 779823062 /nfs/dbraw/zinc/82/30/62/779823062.db2.gz JURCLEVWXPYORS-UHFFFAOYSA-N 1 0 272.349 -1.052 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CC(N)=O ZINC001152398980 779823071 /nfs/dbraw/zinc/82/30/71/779823071.db2.gz MRPDGFCCWOYBCH-UHFFFAOYSA-N 1 0 285.348 -1.559 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152415020 779824153 /nfs/dbraw/zinc/82/41/53/779824153.db2.gz TYUVLGOFWZZIOG-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421019 779824300 /nfs/dbraw/zinc/82/43/00/779824300.db2.gz PYXWDTVQAMQXHV-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414775 779824358 /nfs/dbraw/zinc/82/43/58/779824358.db2.gz MOJHVYNXSXOZKR-UHFFFAOYSA-N 1 0 294.315 -2.267 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCCOCC ZINC001152496145 779825634 /nfs/dbraw/zinc/82/56/34/779825634.db2.gz QKOOBSSRIVKGNK-UHFFFAOYSA-N 1 0 285.344 -1.505 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCCC(=O)NC ZINC001153052931 779833861 /nfs/dbraw/zinc/83/38/61/779833861.db2.gz OVTPZXUJBDEREO-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001153159162 779835244 /nfs/dbraw/zinc/83/52/44/779835244.db2.gz IXQRTCZPWFVMHQ-IUCAKERBSA-N 1 0 286.332 -1.133 20 30 CAEDRO C=CCCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001153085854 779835318 /nfs/dbraw/zinc/83/53/18/779835318.db2.gz LYKUBAYQKNJTRY-UHFFFAOYSA-N 1 0 286.332 -1.260 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001153135491 779835341 /nfs/dbraw/zinc/83/53/41/779835341.db2.gz VAISJNCVBUCKTQ-VIFPVBQESA-N 1 0 286.332 -1.261 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001153135625 779835526 /nfs/dbraw/zinc/83/55/26/779835526.db2.gz WFJXWBORQRLJEO-QMMMGPOBSA-N 1 0 272.305 -1.522 20 30 CAEDRO C=CCCOCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001153091549 779835753 /nfs/dbraw/zinc/83/57/53/779835753.db2.gz SMTDECGSCFVRHQ-SECBINFHSA-N 1 0 286.332 -1.132 20 30 CAEDRO C=CCCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153080822 779835949 /nfs/dbraw/zinc/83/59/49/779835949.db2.gz FWLLCFMOHDJNNK-UHFFFAOYSA-N 1 0 268.317 -1.075 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001153159164 779836350 /nfs/dbraw/zinc/83/63/50/779836350.db2.gz IXQRTCZPWFVMHQ-RKDXNWHRSA-N 1 0 286.332 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153487929 779840948 /nfs/dbraw/zinc/84/09/48/779840948.db2.gz SUPDNGWPBOBBMI-UHFFFAOYSA-N 1 0 264.289 -1.771 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153487982 779841246 /nfs/dbraw/zinc/84/12/46/779841246.db2.gz XTEHRAADHQQDOC-UHFFFAOYSA-N 1 0 263.301 -1.662 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCc1nnc2n1CCNC2=O ZINC001153543583 779841836 /nfs/dbraw/zinc/84/18/36/779841836.db2.gz VDEPDXVCHIWYEA-UHFFFAOYSA-N 1 0 278.316 -1.245 20 30 CAEDRO Cc1nonc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153561909 779842534 /nfs/dbraw/zinc/84/25/34/779842534.db2.gz VAEQAYJCYRYOLD-UHFFFAOYSA-N 1 0 266.261 -1.663 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153577764 779842570 /nfs/dbraw/zinc/84/25/70/779842570.db2.gz FKHZBBOTHNYNRY-VIFPVBQESA-N 1 0 296.331 -2.125 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COC[C@H]1CCCO1 ZINC001153675198 779843447 /nfs/dbraw/zinc/84/34/47/779843447.db2.gz ZWPVEDKAWPNCKT-GFCCVEGCSA-N 1 0 297.355 -1.363 20 30 CAEDRO Cn1cc(CCC(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001153761507 779845857 /nfs/dbraw/zinc/84/58/57/779845857.db2.gz MFVRLLIBORGKMC-UHFFFAOYSA-N 1 0 293.331 -1.907 20 30 CAEDRO Cc1nc[nH]c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153818172 779846838 /nfs/dbraw/zinc/84/68/38/779846838.db2.gz YWMORCISFXDXGP-UHFFFAOYSA-N 1 0 264.289 -1.323 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882460 779848035 /nfs/dbraw/zinc/84/80/35/779848035.db2.gz GNZIGPGZKFQYQI-VIFPVBQESA-N 1 0 294.311 -2.506 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153883045 779850141 /nfs/dbraw/zinc/85/01/41/779850141.db2.gz UPWOVLZGVXFMLR-JTQLQIEISA-N 1 0 283.328 -1.052 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COC ZINC001154002787 779852559 /nfs/dbraw/zinc/85/25/59/779852559.db2.gz RXJIQGFRTGRMAQ-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001154052835 779852691 /nfs/dbraw/zinc/85/26/91/779852691.db2.gz ALVRHCFBZAMGBV-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(C)=O ZINC001154183217 779853839 /nfs/dbraw/zinc/85/38/39/779853839.db2.gz BLPTUEWBIASNRX-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(C)=O ZINC001154203977 779854643 /nfs/dbraw/zinc/85/46/43/779854643.db2.gz DSGCQURHEZGGAT-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnccn1 ZINC001154260578 779854900 /nfs/dbraw/zinc/85/49/00/779854900.db2.gz GLNOAWKSZUBQKT-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001154370069 779856595 /nfs/dbraw/zinc/85/65/95/779856595.db2.gz OPUJJFWSKBQDGD-VIFPVBQESA-N 1 0 283.332 -1.753 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CNC(N)=O)C1=O ZINC001154459958 779858793 /nfs/dbraw/zinc/85/87/93/779858793.db2.gz FPQIDZKFWPLMEM-JTQLQIEISA-N 1 0 297.359 -1.463 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154458230 779859021 /nfs/dbraw/zinc/85/90/21/779859021.db2.gz ZEGCQOMUBQZZGN-UHFFFAOYSA-N 1 0 269.305 -2.500 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154468797 779860468 /nfs/dbraw/zinc/86/04/68/779860468.db2.gz DTSKIUYCULSPMW-SNVBAGLBSA-N 1 0 290.389 -1.500 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154507141 779861491 /nfs/dbraw/zinc/86/14/91/779861491.db2.gz ZTYBYSZLOHWZCD-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCn1cncn1 ZINC001154696918 779864365 /nfs/dbraw/zinc/86/43/65/779864365.db2.gz XBMCWHCGJAYNDU-UHFFFAOYSA-N 1 0 293.331 -1.596 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1COCCO1 ZINC001154886549 779866876 /nfs/dbraw/zinc/86/68/76/779866876.db2.gz OXGKTVOMYSLUBD-NWDGAFQWSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)C1CC1 ZINC001155036749 779868054 /nfs/dbraw/zinc/86/80/54/779868054.db2.gz YZISWZXXQPSXIU-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)OC ZINC001155130017 779869689 /nfs/dbraw/zinc/86/96/89/779869689.db2.gz YNOBXNNMGACJJM-UHFFFAOYSA-N 1 0 284.316 -1.812 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnns1 ZINC001155113440 779870002 /nfs/dbraw/zinc/87/00/02/779870002.db2.gz HGQXQYDNXIYAAR-UHFFFAOYSA-N 1 0 281.341 -1.003 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)OC ZINC001155129614 779870515 /nfs/dbraw/zinc/87/05/15/779870515.db2.gz OYRYQBITDJEIIV-UHFFFAOYSA-N 1 0 286.332 -1.260 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)CCC ZINC001155278754 779871797 /nfs/dbraw/zinc/87/17/97/779871797.db2.gz KMTHHFPSOOZHCF-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO Cn1nccc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155480904 779873175 /nfs/dbraw/zinc/87/31/75/779873175.db2.gz URBFBWPHPHCDMP-UHFFFAOYSA-N 1 0 278.316 -1.231 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001155614726 779874584 /nfs/dbraw/zinc/87/45/84/779874584.db2.gz QJPXVJPWLDIYMV-QWRGUYRKSA-N 1 0 295.339 -1.359 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCC(=O)NCC ZINC001155673411 779875051 /nfs/dbraw/zinc/87/50/51/779875051.db2.gz ZCGVHSGWIIRSBV-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001155732112 779875496 /nfs/dbraw/zinc/87/54/96/779875496.db2.gz VMHCNPQVCWMSSY-VIFPVBQESA-N 1 0 286.332 -1.132 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155752567 779876243 /nfs/dbraw/zinc/87/62/43/779876243.db2.gz CAXQFPVGXJBNSY-GHMZBOCLSA-N 1 0 294.355 -1.501 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155837206 779877290 /nfs/dbraw/zinc/87/72/90/779877290.db2.gz WTNDUEVDEMTBSG-ZETCQYMHSA-N 1 0 255.278 -1.563 20 30 CAEDRO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C#N)C(=O)NC(N)=O ZINC001155855067 779877322 /nfs/dbraw/zinc/87/73/22/779877322.db2.gz SJWWEONDUHZHOV-JGVFFNPUSA-N 1 0 269.305 -1.175 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155836570 779877791 /nfs/dbraw/zinc/87/77/91/779877791.db2.gz PWXIKQWRYQSLFO-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)CC ZINC001155796810 779877828 /nfs/dbraw/zinc/87/78/28/779877828.db2.gz ZJKGIBXEMFNKHN-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)CC ZINC001155795296 779877884 /nfs/dbraw/zinc/87/78/84/779877884.db2.gz CSMURDMOCABJQS-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155848715 779878039 /nfs/dbraw/zinc/87/80/39/779878039.db2.gz OMAIGFGILWUURD-SECBINFHSA-N 1 0 281.316 -1.206 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1nccnc1N ZINC001155937815 779878939 /nfs/dbraw/zinc/87/89/39/779878939.db2.gz SKICFNWBDLAMBI-UHFFFAOYSA-N 1 0 290.327 -1.482 20 30 CAEDRO CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155924438 779878966 /nfs/dbraw/zinc/87/89/66/779878966.db2.gz JLBBQSJLMBSIHJ-SECBINFHSA-N 1 0 293.331 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)COCCOC ZINC001155868374 779879059 /nfs/dbraw/zinc/87/90/59/779879059.db2.gz QUQZCCDJLDHQIM-UHFFFAOYSA-N 1 0 285.344 -1.505 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1nccnc1N ZINC001155951115 779879610 /nfs/dbraw/zinc/87/96/10/779879610.db2.gz OYALGUVMOOEPSP-UHFFFAOYSA-N 1 0 291.315 -1.592 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC(N)=O ZINC001156012137 779881320 /nfs/dbraw/zinc/88/13/20/779881320.db2.gz NKIJXERVDHZIPN-UHFFFAOYSA-N 1 0 299.331 -2.031 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC(N)=O ZINC001156028770 779881195 /nfs/dbraw/zinc/88/11/95/779881195.db2.gz DTZVSJMFJJWNDY-SECBINFHSA-N 1 0 270.333 -1.352 20 30 CAEDRO CN1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001156144561 779882588 /nfs/dbraw/zinc/88/25/88/779882588.db2.gz FFBRXYXHRZGPFQ-LLVKDONJSA-N 1 0 297.359 -1.947 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001156146168 779882646 /nfs/dbraw/zinc/88/26/46/779882646.db2.gz UYXDIYDYNJOSMV-GFCCVEGCSA-N 1 0 298.387 -1.285 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001156126152 779882828 /nfs/dbraw/zinc/88/28/28/779882828.db2.gz SDJDEFROMFMCCS-GFCCVEGCSA-N 1 0 296.371 -1.838 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001156282078 779884609 /nfs/dbraw/zinc/88/46/09/779884609.db2.gz LRQPRDFXPKHUBN-UHFFFAOYSA-N 1 0 292.299 -1.209 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001156571854 779887115 /nfs/dbraw/zinc/88/71/15/779887115.db2.gz ZKIMBVJIBLONDU-JTQLQIEISA-N 1 0 296.327 -1.325 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156787344 779889315 /nfs/dbraw/zinc/88/93/15/779889315.db2.gz DUTUQSZBRZQCDO-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO CN1CCOC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001156799162 779889909 /nfs/dbraw/zinc/88/99/09/779889909.db2.gz LZAWLWBHJUIEBY-NSHDSACASA-N 1 0 297.359 -1.947 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NCCC ZINC001156847946 779890190 /nfs/dbraw/zinc/89/01/90/779890190.db2.gz LZWLCNVDXWBHIK-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001156857517 779890222 /nfs/dbraw/zinc/89/02/22/779890222.db2.gz RXUGMCAKEWWAFI-UHFFFAOYSA-N 1 0 292.343 -1.450 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001156852538 779890427 /nfs/dbraw/zinc/89/04/27/779890427.db2.gz FGQNUECLHUITAI-UHFFFAOYSA-N 1 0 296.371 -1.300 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)NCC ZINC001156857522 779890458 /nfs/dbraw/zinc/89/04/58/779890458.db2.gz SGEPLOTXRRAZTI-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)NCC#C ZINC001156852611 779890476 /nfs/dbraw/zinc/89/04/76/779890476.db2.gz HCUBKEZJOBWSST-UHFFFAOYSA-N 1 0 292.339 -2.029 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001156847783 779890523 /nfs/dbraw/zinc/89/05/23/779890523.db2.gz HJEWBVWLBSZLIJ-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001156857091 779890628 /nfs/dbraw/zinc/89/06/28/779890628.db2.gz BKLBFUONLRIEGL-UHFFFAOYSA-N 1 0 283.332 -1.752 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC#CCOC ZINC001156847908 779890694 /nfs/dbraw/zinc/89/06/94/779890694.db2.gz KBPSXTAEZLZEFJ-UHFFFAOYSA-N 1 0 279.340 -1.128 20 30 CAEDRO N#Cc1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c[nH]1 ZINC001156841424 779890974 /nfs/dbraw/zinc/89/09/74/779890974.db2.gz KXIJGFBCTMOJJT-UHFFFAOYSA-N 1 0 292.299 -1.209 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001156852645 779890983 /nfs/dbraw/zinc/89/09/83/779890983.db2.gz IMUNIBNXCAIBNX-UHFFFAOYSA-N 1 0 292.343 -1.487 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC(=O)NCC ZINC001156869078 779891487 /nfs/dbraw/zinc/89/14/87/779891487.db2.gz VEVHZGAKJJNSTF-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CN1CN=NC1=O ZINC001156879808 779891549 /nfs/dbraw/zinc/89/15/49/779891549.db2.gz SLWLZBKCEXAPSX-UHFFFAOYSA-N 1 0 296.331 -1.618 20 30 CAEDRO CNC(=O)CCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001156867720 779892178 /nfs/dbraw/zinc/89/21/78/779892178.db2.gz BKYVASYOXVMQEF-UHFFFAOYSA-N 1 0 297.359 -1.362 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC(=O)NC ZINC001157011938 779893934 /nfs/dbraw/zinc/89/39/34/779893934.db2.gz NCGCSVMZUPBODZ-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157044368 779894924 /nfs/dbraw/zinc/89/49/24/779894924.db2.gz MQDWCUQOOAVZBR-JTQLQIEISA-N 1 0 270.333 -1.211 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CC1OCCCO1 ZINC001157060526 779895081 /nfs/dbraw/zinc/89/50/81/779895081.db2.gz HRIYIELROCHSLH-UHFFFAOYSA-N 1 0 298.343 -1.125 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001157189738 779897970 /nfs/dbraw/zinc/89/79/70/779897970.db2.gz PPKPSQMQGVZZRZ-LBPRGKRZSA-N 1 0 286.332 -1.396 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1ccnn1C ZINC001157214374 779898083 /nfs/dbraw/zinc/89/80/83/779898083.db2.gz QLHJPTWWIFWLMJ-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC(C)(C)O ZINC001157274215 779898090 /nfs/dbraw/zinc/89/80/90/779898090.db2.gz VRVCKIXRNKXEBR-UHFFFAOYSA-N 1 0 269.345 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cncnc1 ZINC001157227361 779898153 /nfs/dbraw/zinc/89/81/53/779898153.db2.gz ZDTJLQSEWHRMGR-UHFFFAOYSA-N 1 0 289.339 -1.136 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157343957 779900638 /nfs/dbraw/zinc/90/06/38/779900638.db2.gz YKNUMLUHXFXPSN-UHFFFAOYSA-N 1 0 278.316 -1.726 20 30 CAEDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C#CCOC ZINC001157344547 779900684 /nfs/dbraw/zinc/90/06/84/779900684.db2.gz ORZFWBVXZUUWSB-JTQLQIEISA-N 1 0 255.318 -1.004 20 30 CAEDRO Cn1nncc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157349075 779900838 /nfs/dbraw/zinc/90/08/38/779900838.db2.gz HBRBVAARGOCPJU-UHFFFAOYSA-N 1 0 279.304 -1.836 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157370846 779901629 /nfs/dbraw/zinc/90/16/29/779901629.db2.gz LZCZJXITGQRJCH-ZJUUUORDSA-N 1 0 298.343 -1.119 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157454011 779904464 /nfs/dbraw/zinc/90/44/64/779904464.db2.gz GSNFMMYANFQUNF-UHFFFAOYSA-N 1 0 278.316 -1.726 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157474725 779904633 /nfs/dbraw/zinc/90/46/33/779904633.db2.gz XPYSTSRVAMYMTH-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCNC(=O)NC ZINC001157501872 779905540 /nfs/dbraw/zinc/90/55/40/779905540.db2.gz HBURVRGLFJSZAO-UHFFFAOYSA-N 1 0 297.359 -1.849 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(CC)n1 ZINC001157521140 779906963 /nfs/dbraw/zinc/90/69/63/779906963.db2.gz SEHATVRQNSSDND-UHFFFAOYSA-N 1 0 292.343 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnnn1CC ZINC001157539316 779907585 /nfs/dbraw/zinc/90/75/85/779907585.db2.gz DCDAMBMNPCDKPI-UHFFFAOYSA-N 1 0 292.343 -1.243 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(C)(C#N)C1 ZINC001157694776 779910852 /nfs/dbraw/zinc/91/08/52/779910852.db2.gz ZAYDZOHSVDGKAI-YUMQZZPRSA-N 1 0 254.290 -1.817 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761736 779912413 /nfs/dbraw/zinc/91/24/13/779912413.db2.gz ZYPZRPSJZNEBKV-RKDXNWHRSA-N 1 0 283.288 -1.613 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157846628 779913454 /nfs/dbraw/zinc/91/34/54/779913454.db2.gz WMBFWKMSSBSQIH-JTQLQIEISA-N 1 0 255.318 -1.004 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001157852612 779913499 /nfs/dbraw/zinc/91/34/99/779913499.db2.gz CYAMLRFNFWAAMA-UHFFFAOYSA-N 1 0 280.332 -1.154 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001157845735 779913823 /nfs/dbraw/zinc/91/38/23/779913823.db2.gz AMGZZQXIQNUQMP-UHFFFAOYSA-N 1 0 284.316 -1.683 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157981610 779922219 /nfs/dbraw/zinc/92/22/19/779922219.db2.gz DDRRPORNRUXTSM-NMIRZEMHSA-N 1 0 258.347 -1.594 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001157852809 779914756 /nfs/dbraw/zinc/91/47/56/779914756.db2.gz JOMHWJTVLIQMET-SNVBAGLBSA-N 1 0 298.343 -1.294 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001157869975 779914795 /nfs/dbraw/zinc/91/47/95/779914795.db2.gz VGEIYOZXVLAPFC-VIFPVBQESA-N 1 0 284.316 -1.685 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001157869785 779914909 /nfs/dbraw/zinc/91/49/09/779914909.db2.gz RPKSCNRPHVPMIA-SNVBAGLBSA-N 1 0 295.343 -1.257 20 30 CAEDRO N#C[C@@H]1CNCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157982849 779922125 /nfs/dbraw/zinc/92/21/25/779922125.db2.gz SXFBERQYMYOZTI-MNOVXSKESA-N 1 0 279.344 -1.350 20 30 CAEDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNC[C@H]1C#N ZINC001157982543 779922410 /nfs/dbraw/zinc/92/24/10/779922410.db2.gz OLWHMOLBMPZGQW-UMNHJUIQSA-N 1 0 281.360 -1.200 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157981609 779922416 /nfs/dbraw/zinc/92/24/16/779922416.db2.gz DDRRPORNRUXTSM-KSRUKNBBSA-N 1 0 258.347 -1.594 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCNC[C@@H]1C(=O)OCC ZINC001157998487 779923794 /nfs/dbraw/zinc/92/37/94/779923794.db2.gz GDXAZPRGDKBFRI-SKDRFNHKSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163254 779928225 /nfs/dbraw/zinc/92/82/25/779928225.db2.gz MEKMHCOTMSHORL-UHFFFAOYSA-N 1 0 279.304 -2.482 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163068 779928353 /nfs/dbraw/zinc/92/83/53/779928353.db2.gz IPJZHFOPYULAIV-UHFFFAOYSA-N 1 0 266.305 -1.581 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158169915 779929459 /nfs/dbraw/zinc/92/94/59/779929459.db2.gz HQJUPIYGXOLXKU-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158362599 779933753 /nfs/dbraw/zinc/93/37/53/779933753.db2.gz HBJXXJAQOLCANA-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337751 779933769 /nfs/dbraw/zinc/93/37/69/779933769.db2.gz YITYYANOSHMRJV-UHFFFAOYSA-N 1 0 278.316 -1.504 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C#N ZINC001160933155 779987941 /nfs/dbraw/zinc/98/79/41/779987941.db2.gz IFDIQENTXBLMFW-KSRUKNBBSA-N 1 0 259.331 -1.167 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158636426 779937601 /nfs/dbraw/zinc/93/76/01/779937601.db2.gz BLVRYZMUXXBXRH-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO CCC(=O)N[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001158662730 779937775 /nfs/dbraw/zinc/93/77/75/779937775.db2.gz CWIWKHQFMRNCBD-SNVBAGLBSA-N 1 0 297.359 -1.363 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158663516 779938042 /nfs/dbraw/zinc/93/80/42/779938042.db2.gz LKSYWTIDMFPVSW-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158636470 779938038 /nfs/dbraw/zinc/93/80/38/779938038.db2.gz BLVRYZMUXXBXRH-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO CCC(=O)N[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001158662729 779938111 /nfs/dbraw/zinc/93/81/11/779938111.db2.gz CWIWKHQFMRNCBD-JTQLQIEISA-N 1 0 297.359 -1.363 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)CC ZINC001158638291 779938124 /nfs/dbraw/zinc/93/81/24/779938124.db2.gz PUBMVWYYTUXWJN-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001158796504 779938934 /nfs/dbraw/zinc/93/89/34/779938934.db2.gz PAPRXQDJWXYKAS-DTORHVGOSA-N 1 0 251.286 -1.165 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158921740 779941054 /nfs/dbraw/zinc/94/10/54/779941054.db2.gz LTVFURPUVLASEK-UHFFFAOYSA-N 1 0 279.304 -1.986 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159184332 779944577 /nfs/dbraw/zinc/94/45/77/779944577.db2.gz LVUKZZMAEQRBRU-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224531 779944676 /nfs/dbraw/zinc/94/46/76/779944676.db2.gz XDJNWEIOGJASSK-UHFFFAOYSA-N 1 0 299.371 -1.163 20 30 CAEDRO CN1C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001159247794 779944893 /nfs/dbraw/zinc/94/48/93/779944893.db2.gz AZPATPAENCXBQI-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CCNC(=O)COC ZINC001159256909 779946045 /nfs/dbraw/zinc/94/60/45/779946045.db2.gz VNJDVAJFMXHFMO-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159355957 779947475 /nfs/dbraw/zinc/94/74/75/779947475.db2.gz PYGGTTMOVZQDPF-SNVBAGLBSA-N 1 0 299.375 -1.298 20 30 CAEDRO N#C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001159473887 779948261 /nfs/dbraw/zinc/94/82/61/779948261.db2.gz PPRGZIWTCMTZKA-ZCFIWIBFSA-N 1 0 277.244 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCNC1=O ZINC001159799612 779951701 /nfs/dbraw/zinc/95/17/01/779951701.db2.gz IMKJJNVIJIHWCU-LLVKDONJSA-N 1 0 294.355 -1.642 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CN1CCOCC1=O ZINC001160019882 779954442 /nfs/dbraw/zinc/95/44/42/779954442.db2.gz AHCKISCEAFHDTI-UHFFFAOYSA-N 1 0 297.355 -1.409 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1CCOCC1=O ZINC001160024938 779954449 /nfs/dbraw/zinc/95/44/49/779954449.db2.gz ZHMBKBUEMMKVHA-UHFFFAOYSA-N 1 0 267.329 -1.036 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160171794 779956480 /nfs/dbraw/zinc/95/64/80/779956480.db2.gz ATHGIQDJYRYQEF-JTQLQIEISA-N 1 0 298.343 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160395535 779957330 /nfs/dbraw/zinc/95/73/30/779957330.db2.gz AXKIDOTVQGFDEY-UHFFFAOYSA-N 1 0 282.344 -1.657 20 30 CAEDRO C[C@@H]1OCCO[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160224383 779957395 /nfs/dbraw/zinc/95/73/95/779957395.db2.gz XVVJOPVNQUUXGZ-JQWIXIFHSA-N 1 0 298.343 -1.474 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC ZINC001160191712 779957573 /nfs/dbraw/zinc/95/75/73/779957573.db2.gz MLAGYLHWBFIKSQ-LBPRGKRZSA-N 1 0 280.372 -1.074 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160179815 779957639 /nfs/dbraw/zinc/95/76/39/779957639.db2.gz UOZCUTDNPWDXNQ-QMMMGPOBSA-N 1 0 252.274 -1.686 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160432520 779958342 /nfs/dbraw/zinc/95/83/42/779958342.db2.gz YYPUHCMWWQDIEC-JTQLQIEISA-N 1 0 259.331 -1.559 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCNC1=O ZINC001160433067 779958368 /nfs/dbraw/zinc/95/83/68/779958368.db2.gz GNVRYVUOMOJEBD-JTQLQIEISA-N 1 0 295.343 -1.752 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCNC1=O ZINC001160433403 779958523 /nfs/dbraw/zinc/95/85/23/779958523.db2.gz LWVUUNWFYDWHTF-LLVKDONJSA-N 1 0 296.371 -1.089 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001160483196 779962970 /nfs/dbraw/zinc/96/29/70/779962970.db2.gz GHVMDOLJRYYIOA-LBPRGKRZSA-N 1 0 251.334 -1.265 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001160483747 779963004 /nfs/dbraw/zinc/96/30/04/779963004.db2.gz NAEYIGYAIUXLOZ-MNOVXSKESA-N 1 0 251.334 -1.267 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160483294 779963044 /nfs/dbraw/zinc/96/30/44/779963044.db2.gz ICRAVVKTTMVZBE-GHMZBOCLSA-N 1 0 252.318 -1.375 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001160483308 779963155 /nfs/dbraw/zinc/96/31/55/779963155.db2.gz INQCACTURXKBKD-NSHDSACASA-N 1 0 251.334 -1.394 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn[nH]c(=O)c1 ZINC001160499312 779964134 /nfs/dbraw/zinc/96/41/34/779964134.db2.gz CCCUISWFKQMYSR-UHFFFAOYSA-N 1 0 291.311 -1.359 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cn[nH]c(=O)c1 ZINC001160499984 779964345 /nfs/dbraw/zinc/96/43/45/779964345.db2.gz MNJYANWKSYITCI-UHFFFAOYSA-N 1 0 292.299 -1.469 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@H](C#N)C1 ZINC001160641181 779972331 /nfs/dbraw/zinc/97/23/31/779972331.db2.gz WVILEIVDOSJRDS-SNVBAGLBSA-N 1 0 288.373 -1.031 20 30 CAEDRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160652535 779973834 /nfs/dbraw/zinc/97/38/34/779973834.db2.gz FUEZFYNHPIKXQQ-MNOVXSKESA-N 1 0 281.360 -1.200 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160652978 779975158 /nfs/dbraw/zinc/97/51/58/779975158.db2.gz SVCZLFAQLURBKO-KSRUKNBBSA-N 1 0 258.347 -1.594 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160652979 779975415 /nfs/dbraw/zinc/97/54/15/779975415.db2.gz SVCZLFAQLURBKO-NMIRZEMHSA-N 1 0 258.347 -1.594 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CCO1 ZINC001160879974 779984839 /nfs/dbraw/zinc/98/48/39/779984839.db2.gz VYYWNIHUTCKFAG-FOGDFJRCSA-N 1 0 250.302 -1.311 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCO1 ZINC001160877766 779984935 /nfs/dbraw/zinc/98/49/35/779984935.db2.gz CAKQNQLGTVSAGG-NXEZZACHSA-N 1 0 266.301 -1.932 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(C)[C@@H](C(=O)OC)C1 ZINC001160870821 779984995 /nfs/dbraw/zinc/98/49/95/779984995.db2.gz NDVUPLGGMGZJET-SKDRFNHKSA-N 1 0 253.302 -1.347 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@H](C#N)C1 ZINC001160879220 779985350 /nfs/dbraw/zinc/98/53/50/779985350.db2.gz PZBZIVXWONCJCR-YIZRAAEISA-N 1 0 270.289 -2.438 20 30 CAEDRO N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CCO1 ZINC001160878851 779985359 /nfs/dbraw/zinc/98/53/59/779985359.db2.gz LNBKCZMBDVDDIV-XWLWVQCSSA-N 1 0 250.302 -1.313 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CCO1 ZINC001160878855 779985449 /nfs/dbraw/zinc/98/54/49/779985449.db2.gz LNBKCZMBDVDDIV-ZRUFSTJUSA-N 1 0 250.302 -1.313 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CCO1 ZINC001160879976 779985464 /nfs/dbraw/zinc/98/54/64/779985464.db2.gz VYYWNIHUTCKFAG-HOSYDEDBSA-N 1 0 250.302 -1.311 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CCO1 ZINC001160879973 779985581 /nfs/dbraw/zinc/98/55/81/779985581.db2.gz VYYWNIHUTCKFAG-CKYFFXLPSA-N 1 0 250.302 -1.311 20 30 CAEDRO C#CC1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001160913043 779986335 /nfs/dbraw/zinc/98/63/35/779986335.db2.gz QMUJHHNXNONMBZ-ONGXEEELSA-N 1 0 294.355 -1.434 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160933426 779987546 /nfs/dbraw/zinc/98/75/46/779987546.db2.gz KNXSJKOSZIRUGW-ZJUUUORDSA-N 1 0 266.301 -1.313 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCOC[C@H]1C#N ZINC001160932645 779987572 /nfs/dbraw/zinc/98/75/72/779987572.db2.gz DFOXTLRMVFAHRH-SECBINFHSA-N 1 0 290.345 -2.042 20 30 CAEDRO N#C[C@H]1COCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160933637 779987720 /nfs/dbraw/zinc/98/77/20/779987720.db2.gz MSKNYIZETFPEFE-UWVGGRQHSA-N 1 0 266.301 -1.932 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C#N ZINC001160933154 779987843 /nfs/dbraw/zinc/98/78/43/779987843.db2.gz IFDIQENTXBLMFW-IRWWLHRVSA-N 1 0 259.331 -1.167 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCOC[C@@H]1C#N ZINC001160932646 779988045 /nfs/dbraw/zinc/98/80/45/779988045.db2.gz DFOXTLRMVFAHRH-VIFPVBQESA-N 1 0 290.345 -2.042 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H](F)C[C@H]1C#N ZINC001161139392 779998908 /nfs/dbraw/zinc/99/89/08/779998908.db2.gz SJMMSUNKCUQDPW-IUCAKERBSA-N 1 0 292.336 -1.331 20 30 CAEDRO CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC(O)CC2)C1 ZINC001161183158 780001873 /nfs/dbraw/zinc/00/18/73/780001873.db2.gz VZBWRNMFRFXAQE-ZJUUUORDSA-N 1 0 292.357 -1.324 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001161296121 780006920 /nfs/dbraw/zinc/00/69/20/780006920.db2.gz PPTDKONTWLGUTR-MFKMUULPSA-N 1 0 281.312 -1.431 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001161402939 780010308 /nfs/dbraw/zinc/01/03/08/780010308.db2.gz KTTWRVGJJHAVOH-UHFFFAOYSA-N 1 0 280.372 -1.120 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161453450 780014052 /nfs/dbraw/zinc/01/40/52/780014052.db2.gz BMEYFKZFJRHRAK-UHFFFAOYSA-N 1 0 297.359 -1.120 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001161491325 780016035 /nfs/dbraw/zinc/01/60/35/780016035.db2.gz BUFRWNVRAUKLOX-JTQLQIEISA-N 1 0 280.328 -1.147 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001161492662 780016702 /nfs/dbraw/zinc/01/67/02/780016702.db2.gz UIAAMCWYNYDEQL-UWVGGRQHSA-N 1 0 281.312 -1.128 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)CNCC[NH3+])CC1 ZINC001161491552 780017646 /nfs/dbraw/zinc/01/76/46/780017646.db2.gz FOHOZMOYXGLWBQ-UHFFFAOYSA-N 1 0 268.317 -1.160 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001161491949 780017809 /nfs/dbraw/zinc/01/78/09/780017809.db2.gz KFWXKLMNTNOOBS-UWVGGRQHSA-N 1 0 280.328 -1.162 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001161622336 780023898 /nfs/dbraw/zinc/02/38/98/780023898.db2.gz HOTBCWPZDGHJTH-LLVKDONJSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cncn1C ZINC001161913559 780027410 /nfs/dbraw/zinc/02/74/10/780027410.db2.gz NYLKVTJCWRWFIT-UHFFFAOYSA-N 1 0 277.328 -1.121 20 30 CAEDRO C#CC[NH+]1CCC(CNC(=O)C(N)=O)(COC)CC1 ZINC001162449612 780052038 /nfs/dbraw/zinc/05/20/38/780052038.db2.gz HUXVKGWKBYGNMA-UHFFFAOYSA-N 1 0 267.329 -1.050 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038406 780053958 /nfs/dbraw/zinc/05/39/58/780053958.db2.gz OVCSGHAOOGWTPS-VIFPVBQESA-N 1 0 287.341 -2.371 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001163090218 780055343 /nfs/dbraw/zinc/05/53/43/780055343.db2.gz VVBBJMCTFDYWFV-AWEZNQCLSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001163090219 780055518 /nfs/dbraw/zinc/05/55/18/780055518.db2.gz VVBBJMCTFDYWFV-CQSZACIVSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163290104 780058268 /nfs/dbraw/zinc/05/82/68/780058268.db2.gz AJHFCAATYJLYIG-UHFFFAOYSA-N 1 0 264.351 -1.678 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163290912 780058343 /nfs/dbraw/zinc/05/83/43/780058343.db2.gz UKVGJTMGPGVECE-UHFFFAOYSA-N 1 0 276.362 -1.841 20 30 CAEDRO C=C(Cl)C[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163290219 780058449 /nfs/dbraw/zinc/05/84/49/780058449.db2.gz DURAHGQRQWSXRA-UHFFFAOYSA-N 1 0 298.796 -1.111 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1csnn1 ZINC001163451123 780059267 /nfs/dbraw/zinc/05/92/67/780059267.db2.gz JLDHYTRDSZZTBX-UHFFFAOYSA-N 1 0 281.341 -1.003 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1csnn1 ZINC001163452009 780059474 /nfs/dbraw/zinc/05/94/74/780059474.db2.gz SZJOKFSSHGFVLD-UHFFFAOYSA-N 1 0 282.329 -1.113 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CN1CCNC(=O)C1 ZINC001163880120 780062282 /nfs/dbraw/zinc/06/22/82/780062282.db2.gz BVHJRXQMRKFAAG-UHFFFAOYSA-N 1 0 296.371 -1.836 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1CCNC(=O)C1 ZINC001163883295 780063088 /nfs/dbraw/zinc/06/30/88/780063088.db2.gz JEDKWYXQKRTFDQ-UHFFFAOYSA-N 1 0 266.345 -1.463 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001163912827 780063299 /nfs/dbraw/zinc/06/32/99/780063299.db2.gz ODANXYUVUHMYMD-WDEREUQCSA-N 1 0 296.371 -1.104 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001163912301 780063435 /nfs/dbraw/zinc/06/34/35/780063435.db2.gz DYGFVXSBGRECLA-VHSXEESVSA-N 1 0 295.343 -1.766 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001163924551 780064012 /nfs/dbraw/zinc/06/40/12/780064012.db2.gz QNCORXLGOJHWAB-GHMZBOCLSA-N 1 0 294.355 -1.657 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001163924552 780064836 /nfs/dbraw/zinc/06/48/36/780064836.db2.gz QNCORXLGOJHWAB-MNOVXSKESA-N 1 0 294.355 -1.657 20 30 CAEDRO Cn1c(C(=O)NCCC[NH2+]CC(=O)NCC#N)c[nH]c1=O ZINC001163934648 780065263 /nfs/dbraw/zinc/06/52/63/780065263.db2.gz MMUFINHBYDIUHU-UHFFFAOYSA-N 1 0 294.315 -1.525 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163934855 780065713 /nfs/dbraw/zinc/06/57/13/780065713.db2.gz RXWJOFWERVDKNT-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163939427 780065731 /nfs/dbraw/zinc/06/57/31/780065731.db2.gz MHUSMRAKWMSPKL-SNVBAGLBSA-N 1 0 295.343 -2.145 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163943421 780066776 /nfs/dbraw/zinc/06/67/76/780066776.db2.gz DQBLJTNJPNMPSU-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163943420 780066847 /nfs/dbraw/zinc/06/68/47/780066847.db2.gz DQBLJTNJPNMPSU-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163943541 780066951 /nfs/dbraw/zinc/06/69/51/780066951.db2.gz HLNMFEOYILQTBI-SNVBAGLBSA-N 1 0 280.328 -2.032 20 30 CAEDRO Cn1nnc(C(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001164147985 780069046 /nfs/dbraw/zinc/06/90/46/780069046.db2.gz ITCVFRXWENXZSB-UHFFFAOYSA-N 1 0 280.292 -2.441 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001164182825 780070313 /nfs/dbraw/zinc/07/03/13/780070313.db2.gz PIUZOSWQPGNURS-UHFFFAOYSA-N 1 0 294.355 -1.513 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001164182360 780070488 /nfs/dbraw/zinc/07/04/88/780070488.db2.gz HNZFFZQMPYQHAR-UHFFFAOYSA-N 1 0 281.356 -1.006 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCN(C)C1=O ZINC001164287695 780070577 /nfs/dbraw/zinc/07/05/77/780070577.db2.gz BNUGBPKVHZSSRJ-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001164273504 780070826 /nfs/dbraw/zinc/07/08/26/780070826.db2.gz LEASETWMEILULI-PJXYFTJBSA-N 1 0 279.340 -1.276 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164163852 780070950 /nfs/dbraw/zinc/07/09/50/780070950.db2.gz VBRDVELXXWXCMV-SECBINFHSA-N 1 0 295.347 -1.390 20 30 CAEDRO CN1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1=O ZINC001164289302 780071756 /nfs/dbraw/zinc/07/17/56/780071756.db2.gz NYPSPVSCVTWRNP-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001164288500 780071954 /nfs/dbraw/zinc/07/19/54/780071954.db2.gz HVTFIQLWYLPDFN-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1C ZINC001164476926 780073650 /nfs/dbraw/zinc/07/36/50/780073650.db2.gz CCQUJWQMODDDEW-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO CN1C(=O)CC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001164476883 780074213 /nfs/dbraw/zinc/07/42/13/780074213.db2.gz AJSWUNUNOSGWMO-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@]1(F)CCOC1 ZINC001164559199 780074518 /nfs/dbraw/zinc/07/45/18/780074518.db2.gz ISIHFLIROXHLSS-CYBMUJFWSA-N 1 0 285.319 -1.040 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@]1(F)CCOC1 ZINC001164567229 780074898 /nfs/dbraw/zinc/07/48/98/780074898.db2.gz PKZTZVKGELJLAF-LBPRGKRZSA-N 1 0 286.307 -1.149 20 30 CAEDRO N#CCc1cncc(N2CCNC(=O)C23C[NH2+]C3)n1 ZINC001165302653 780079045 /nfs/dbraw/zinc/07/90/45/780079045.db2.gz WXGVJYKEPKQCIQ-UHFFFAOYSA-N 1 0 258.285 -1.179 20 30 CAEDRO Cc1nc(C#N)cc(N2CCNC(=O)C23C[NH2+]C3)n1 ZINC001165300819 780079876 /nfs/dbraw/zinc/07/98/76/780079876.db2.gz KPFMSLUJMMFCKI-UHFFFAOYSA-N 1 0 258.285 -1.065 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165466978 780080500 /nfs/dbraw/zinc/08/05/00/780080500.db2.gz KENMPBDDNFFRIW-QMMMGPOBSA-N 1 0 282.304 -2.597 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165466996 780080997 /nfs/dbraw/zinc/08/09/97/780080997.db2.gz KPAZYDRAFMDGOM-JTQLQIEISA-N 1 0 268.317 -1.587 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165467072 780081021 /nfs/dbraw/zinc/08/10/21/780081021.db2.gz LGWWPDGBFXNMOL-SECBINFHSA-N 1 0 281.316 -2.487 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165468817 780081618 /nfs/dbraw/zinc/08/16/18/780081618.db2.gz UUMGVMJHRSLLQM-SECBINFHSA-N 1 0 283.332 -1.934 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165498085 780081969 /nfs/dbraw/zinc/08/19/69/780081969.db2.gz GLRYNKLGVAIKDT-VHSXEESVSA-N 1 0 297.359 -1.546 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165498077 780082019 /nfs/dbraw/zinc/08/20/19/780082019.db2.gz GLRYNKLGVAIKDT-NXEZZACHSA-N 1 0 297.359 -1.546 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165595938 780083750 /nfs/dbraw/zinc/08/37/50/780083750.db2.gz GPSRANJGYIJBAJ-UHFFFAOYSA-N 1 0 267.329 -1.002 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165499678 780083837 /nfs/dbraw/zinc/08/38/37/780083837.db2.gz YGOGVMWHWRILOK-ZJUUUORDSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165613452 780084337 /nfs/dbraw/zinc/08/43/37/780084337.db2.gz MZWLTGKOLWYOKY-JTQLQIEISA-N 1 0 294.355 -1.514 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165596690 780084444 /nfs/dbraw/zinc/08/44/44/780084444.db2.gz SYZYJBIRPRZQBB-UHFFFAOYSA-N 1 0 281.316 -2.012 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C(N)=O ZINC001165645964 780087166 /nfs/dbraw/zinc/08/71/66/780087166.db2.gz UXRCIEUGEZAEAW-QMMMGPOBSA-N 1 0 299.331 -2.032 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(N)=O ZINC001165645963 780087718 /nfs/dbraw/zinc/08/77/18/780087718.db2.gz UXRCIEUGEZAEAW-MRVPVSSYSA-N 1 0 299.331 -2.032 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001165836868 780088972 /nfs/dbraw/zinc/08/89/72/780088972.db2.gz FGEVBEVLRCYOMK-UHFFFAOYSA-N 1 0 293.327 -1.415 20 30 CAEDRO COC[C@H](OC)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166141901 780089585 /nfs/dbraw/zinc/08/95/85/780089585.db2.gz FLXFFQWVBWJVPR-JTQLQIEISA-N 1 0 286.332 -1.617 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](COC)OC ZINC001166174611 780090299 /nfs/dbraw/zinc/09/02/99/780090299.db2.gz JRBFIXKHGAGCND-NWDGAFQWSA-N 1 0 299.371 -1.118 20 30 CAEDRO C[C@]1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCNC1=O ZINC001166552410 780090963 /nfs/dbraw/zinc/09/09/63/780090963.db2.gz JQUKNNLJSPNSKF-CYBMUJFWSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@]1(C)CCNC1=O ZINC001166558616 780091101 /nfs/dbraw/zinc/09/11/01/780091101.db2.gz IKLOMQKJKDRITN-CQSZACIVSA-N 1 0 294.355 -1.642 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166342403 780091493 /nfs/dbraw/zinc/09/14/93/780091493.db2.gz SREFJLKJTGMBAX-UHFFFAOYSA-N 1 0 287.345 -1.047 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@]1(C)CCNC1=O ZINC001166551911 780091517 /nfs/dbraw/zinc/09/15/17/780091517.db2.gz FRKMJZMHPOITIA-AWEZNQCLSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CC[NH2+]CC1(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001166561886 780093151 /nfs/dbraw/zinc/09/31/51/780093151.db2.gz ZNHWXFXTEGIPKC-UHFFFAOYSA-N 1 0 292.383 -1.073 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166819761 780097708 /nfs/dbraw/zinc/09/77/08/780097708.db2.gz FYARLMAAOHAMJL-AXFHLTTASA-N 1 0 296.371 -1.106 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166966896 780099864 /nfs/dbraw/zinc/09/98/64/780099864.db2.gz FXICUXPFEMLRQZ-UHFFFAOYSA-N 1 0 293.331 -1.527 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001205050766 780103857 /nfs/dbraw/zinc/10/38/57/780103857.db2.gz UMRNOUHCVBKIJS-UHFFFAOYSA-N 1 0 281.356 -1.054 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206118281 780109028 /nfs/dbraw/zinc/10/90/28/780109028.db2.gz GVSHYIWTCFWDID-UHFFFAOYSA-N 1 0 282.344 -1.398 20 30 CAEDRO COCC#CC[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206099553 780109038 /nfs/dbraw/zinc/10/90/38/780109038.db2.gz BYVZVNSODYIGKV-UHFFFAOYSA-N 1 0 267.329 -1.050 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206119523 780109590 /nfs/dbraw/zinc/10/95/90/780109590.db2.gz WXUVLLCSZAYGFT-UHFFFAOYSA-N 1 0 281.316 -2.060 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206093751 780109807 /nfs/dbraw/zinc/10/98/07/780109807.db2.gz NSQRMOXLTAVLTQ-UHFFFAOYSA-N 1 0 280.328 -1.951 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206105836 780109842 /nfs/dbraw/zinc/10/98/42/780109842.db2.gz RXRMYQMZCAAMIS-JTQLQIEISA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001206892704 780112770 /nfs/dbraw/zinc/11/27/70/780112770.db2.gz DELUYDBJBGTODA-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO COCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001206981035 780113558 /nfs/dbraw/zinc/11/35/58/780113558.db2.gz WCJBFGMYKUZLHA-SNVBAGLBSA-N 1 0 268.317 -1.147 20 30 CAEDRO COCC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001206981034 780113650 /nfs/dbraw/zinc/11/36/50/780113650.db2.gz WCJBFGMYKUZLHA-JTQLQIEISA-N 1 0 268.317 -1.147 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001206964925 780114496 /nfs/dbraw/zinc/11/44/96/780114496.db2.gz GTNHSRBQSPFJAK-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259261 780117699 /nfs/dbraw/zinc/11/76/99/780117699.db2.gz ZDSVZNKIZQXUBR-SNVBAGLBSA-N 1 0 295.343 -2.015 20 30 CAEDRO CC(=O)NCC(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001276534767 780118641 /nfs/dbraw/zinc/11/86/41/780118641.db2.gz ANBNHENQDUTNOF-LLVKDONJSA-N 1 0 295.343 -1.753 20 30 CAEDRO C=CCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207680986 780119297 /nfs/dbraw/zinc/11/92/97/780119297.db2.gz YCURBNJVFCEYFO-SNVBAGLBSA-N 1 0 298.343 -1.036 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001207871877 780120693 /nfs/dbraw/zinc/12/06/93/780120693.db2.gz DUYCYAMCHWMCBJ-NSHDSACASA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725957 780120798 /nfs/dbraw/zinc/12/07/98/780120798.db2.gz UTOLXNGHKTVEAV-WDEREUQCSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001207871863 780122238 /nfs/dbraw/zinc/12/22/38/780122238.db2.gz DQPGEMAFMDEVRU-WDEREUQCSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001207871860 780122298 /nfs/dbraw/zinc/12/22/98/780122298.db2.gz DQPGEMAFMDEVRU-GHMZBOCLSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889908 780122316 /nfs/dbraw/zinc/12/23/16/780122316.db2.gz SCLYQFUJXKHHNT-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889907 780122352 /nfs/dbraw/zinc/12/23/52/780122352.db2.gz SCLYQFUJXKHHNT-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208444941 780127266 /nfs/dbraw/zinc/12/72/66/780127266.db2.gz LPIBGBVYYQYBBV-IJLUTSLNSA-N 1 0 294.355 -1.246 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001276602720 780129739 /nfs/dbraw/zinc/12/97/39/780129739.db2.gz CWVGEHWDOJVNAJ-UWVGGRQHSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208768690 780130594 /nfs/dbraw/zinc/13/05/94/780130594.db2.gz GRQOCWGBASNSRJ-SNVBAGLBSA-N 1 0 288.373 -1.746 20 30 CAEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209218077 780131396 /nfs/dbraw/zinc/13/13/96/780131396.db2.gz ZHEGKCUBOYDJSN-ADEWGFFLSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209354478 780133326 /nfs/dbraw/zinc/13/33/26/780133326.db2.gz CTMXPHAAMQGWAS-VIFPVBQESA-N 1 0 266.301 -2.198 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001276647823 780133967 /nfs/dbraw/zinc/13/39/67/780133967.db2.gz AAKZNMMSVNYLMW-PSASIEDQSA-N 1 0 282.344 -1.353 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001276647825 780134046 /nfs/dbraw/zinc/13/40/46/780134046.db2.gz AAKZNMMSVNYLMW-WCBMZHEXSA-N 1 0 282.344 -1.353 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366357 780134879 /nfs/dbraw/zinc/13/48/79/780134879.db2.gz QYTQQTFYZNQPEG-UWVGGRQHSA-N 1 0 280.328 -1.810 20 30 CAEDRO COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001276648489 780136036 /nfs/dbraw/zinc/13/60/36/780136036.db2.gz OHXZDOXZPDLRIP-RYUDHWBXSA-N 1 0 294.355 -1.198 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001210198432 780138188 /nfs/dbraw/zinc/13/81/88/780138188.db2.gz MEEXEGTUDVHTNF-VIFPVBQESA-N 1 0 291.315 -1.361 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001210236525 780139050 /nfs/dbraw/zinc/13/90/50/780139050.db2.gz OERFICBXCQHPBF-VIFPVBQESA-N 1 0 292.299 -1.096 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213831313 780145700 /nfs/dbraw/zinc/14/57/00/780145700.db2.gz LHNPDBXJSOWYAO-GHMZBOCLSA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214059301 780148461 /nfs/dbraw/zinc/14/84/61/780148461.db2.gz VQPWSYXYKLLOOP-ZYHUDNBSSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214369950 780150741 /nfs/dbraw/zinc/15/07/41/780150741.db2.gz CNDAAAYSYKMUQU-NXEZZACHSA-N 1 0 280.328 -1.952 20 30 CAEDRO C=CCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214330267 780151263 /nfs/dbraw/zinc/15/12/63/780151263.db2.gz WFICBPZAQIAXDD-NXEZZACHSA-N 1 0 298.343 -1.180 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001214473271 780152828 /nfs/dbraw/zinc/15/28/28/780152828.db2.gz CBHFLKYXGHVMLU-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001214474019 780153388 /nfs/dbraw/zinc/15/33/88/780153388.db2.gz WZTRYUFUUBYDQI-GMTAPVOTSA-N 1 0 294.355 -1.564 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C ZINC001214762204 780154506 /nfs/dbraw/zinc/15/45/06/780154506.db2.gz VAXXEKXCRACUBD-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640604 780154569 /nfs/dbraw/zinc/15/45/69/780154569.db2.gz KXDJWPMASKAZFQ-VXGBXAGGSA-N 1 0 292.343 -1.241 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001214988083 780155261 /nfs/dbraw/zinc/15/52/61/780155261.db2.gz ITTKZFMKMZONGC-ZYHUDNBSSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001215234351 780155455 /nfs/dbraw/zinc/15/54/55/780155455.db2.gz QHKKEHPQIKYXOL-NXEZZACHSA-N 1 0 290.389 -1.337 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215333751 780155505 /nfs/dbraw/zinc/15/55/05/780155505.db2.gz BTXZBRXNQWELAA-GHMZBOCLSA-N 1 0 292.343 -1.090 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001215303078 780155687 /nfs/dbraw/zinc/15/56/87/780155687.db2.gz OWEIVBRCSAQHKW-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215439122 780156912 /nfs/dbraw/zinc/15/69/12/780156912.db2.gz OCFTWPFYJMRAMH-RKDXNWHRSA-N 1 0 266.301 -2.342 20 30 CAEDRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215438694 780157117 /nfs/dbraw/zinc/15/71/17/780157117.db2.gz DFUXWLXCDJRDAI-HTQZYQBOSA-N 1 0 267.289 -2.452 20 30 CAEDRO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216012124 780157773 /nfs/dbraw/zinc/15/77/73/780157773.db2.gz HXCPCJWLOOQKKW-PSASIEDQSA-N 1 0 292.299 -1.241 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001215965016 780158018 /nfs/dbraw/zinc/15/80/18/780158018.db2.gz PGGQINREFLNFMK-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216770353 780159055 /nfs/dbraw/zinc/15/90/55/780159055.db2.gz JDAHOIGHRRQLAE-NXEZZACHSA-N 1 0 273.358 -1.395 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001276747228 780159697 /nfs/dbraw/zinc/15/96/97/780159697.db2.gz DQOGWPIANWCOHO-KKOKHZNYSA-N 1 0 289.335 -1.034 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)[C@H]2COC(=O)N2)CCOCC1 ZINC001281243579 780164726 /nfs/dbraw/zinc/16/47/26/780164726.db2.gz YZWLNGPLHLBDCV-SNVBAGLBSA-N 1 0 281.312 -1.017 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc(C#N)ccn1 ZINC001218505104 780165413 /nfs/dbraw/zinc/16/54/13/780165413.db2.gz MHHOIAWRFMOGMC-CBAPKCEASA-N 1 0 277.284 -1.284 20 30 CAEDRO Cc1noc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1C#N ZINC001218504705 780165853 /nfs/dbraw/zinc/16/58/53/780165853.db2.gz WGNJJPCDJCHPDM-XPUUQOCRSA-N 1 0 281.272 -1.383 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001218517365 780167039 /nfs/dbraw/zinc/16/70/39/780167039.db2.gz IDIZGVPFXRYICZ-DMTCNVIQSA-N 1 0 255.238 -2.116 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218517422 780167336 /nfs/dbraw/zinc/16/73/36/780167336.db2.gz NGOYWOMPUIRNCQ-YFKPBYRVSA-N 1 0 271.281 -1.349 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218516386 780167539 /nfs/dbraw/zinc/16/75/39/780167539.db2.gz GVNUSRVGHARNQR-YFKPBYRVSA-N 1 0 281.276 -1.996 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218518729 780168315 /nfs/dbraw/zinc/16/83/15/780168315.db2.gz TWWDUUBHAKFUMX-BYPYZUCNSA-N 1 0 289.321 -1.786 20 30 CAEDRO C#Cc1cc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)ccn1 ZINC001218519754 780168514 /nfs/dbraw/zinc/16/85/14/780168514.db2.gz DMYYNOORDOSCCF-GFCCVEGCSA-N 1 0 272.308 -1.246 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218519111 780168736 /nfs/dbraw/zinc/16/87/36/780168736.db2.gz YGNUNWLDKKPOAJ-BYPYZUCNSA-N 1 0 257.254 -1.739 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218519113 780169378 /nfs/dbraw/zinc/16/93/78/780169378.db2.gz YGNUNWLDKKPOAJ-SCSAIBSYSA-N 1 0 257.254 -1.739 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)nc1C#N ZINC001218594651 780173014 /nfs/dbraw/zinc/17/30/14/780173014.db2.gz HTVSOLRSBLAVMD-FWXDICJISA-N 1 0 298.310 -1.038 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@H]2[NH2+]CC[C@H]2O)nc1C#N ZINC001218594795 780173062 /nfs/dbraw/zinc/17/30/62/780173062.db2.gz JIOJORBITYELFE-SFYZADRCSA-N 1 0 273.256 -1.537 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@]2(N)CCC[NH2+]C2)nc1C#N ZINC001218594776 780173234 /nfs/dbraw/zinc/17/32/34/780173234.db2.gz IXMFXEHUDVSGED-LBPRGKRZSA-N 1 0 286.299 -1.178 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)nc1C#N ZINC001218594516 780173452 /nfs/dbraw/zinc/17/34/52/780173452.db2.gz GDUHTLFVVWCVDI-FUXBKTLASA-N 1 0 298.310 -1.308 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@H](N)CC[NH3+])nc1C#N ZINC001218595066 780173615 /nfs/dbraw/zinc/17/36/15/780173615.db2.gz LLNBLUXOAMNXKT-YFKPBYRVSA-N 1 0 260.261 -1.583 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)C[C@@H](O)C[NH3+])nc1C#N ZINC001218595101 780173815 /nfs/dbraw/zinc/17/38/15/780173815.db2.gz LUDDCYXBBZTGHC-RXMQYKEDSA-N 1 0 261.245 -1.550 20 30 CAEDRO C[C@@H]([NH3+])C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001218596556 780174470 /nfs/dbraw/zinc/17/44/70/780174470.db2.gz JNOBIGSSYCACDV-RXMQYKEDSA-N 1 0 261.289 -1.030 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)nc1C#N ZINC001218596396 780174769 /nfs/dbraw/zinc/17/47/69/780174769.db2.gz ZGJVGKOHCPAYAB-XRGYYRRGSA-N 1 0 273.256 -1.679 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)nc1C#N ZINC001218596395 780174992 /nfs/dbraw/zinc/17/49/92/780174992.db2.gz ZGJVGKOHCPAYAB-XNCJUZBTSA-N 1 0 273.256 -1.679 20 30 CAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)C[C@@H](O)C[NH3+])c1N ZINC001218596764 780175398 /nfs/dbraw/zinc/17/53/98/780175398.db2.gz MWPSZHMQFDTCIW-SSDOTTSWSA-N 1 0 291.315 -1.668 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)CNCC[NH3+] ZINC001218636920 780178733 /nfs/dbraw/zinc/17/87/33/780178733.db2.gz BNHKCUCIQXMPQO-UHFFFAOYSA-N 1 0 284.283 -1.041 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001218637131 780178825 /nfs/dbraw/zinc/17/88/25/780178825.db2.gz GAUCZYHEWAIVQQ-NXEZZACHSA-N 1 0 297.278 -1.009 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1c[nH]nc1C#N ZINC001218655967 780179259 /nfs/dbraw/zinc/17/92/59/780179259.db2.gz OHZOLLAZZRSDDW-UHFFFAOYSA-N 1 0 286.317 -1.560 20 30 CAEDRO C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791896 780179443 /nfs/dbraw/zinc/17/94/43/780179443.db2.gz YBTRVCIHFYLDEU-NXEZZACHSA-N 1 0 253.302 -1.300 20 30 CAEDRO N#Cc1c(N)nn(C(=O)C[C@H]2COCC[NH2+]2)c1N ZINC001218659694 780179569 /nfs/dbraw/zinc/17/95/69/780179569.db2.gz JYKVKJYLWXGDJI-LURJTMIESA-N 1 0 250.262 -1.062 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1c[nH]nc1C#N ZINC001218656242 780179601 /nfs/dbraw/zinc/17/96/01/780179601.db2.gz RDTBGOJOFXZMPE-WDSKDSINSA-N 1 0 293.287 -2.073 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)c1N ZINC001218658830 780179616 /nfs/dbraw/zinc/17/96/16/780179616.db2.gz AKXHJCPOVZNLCZ-APQOSEDMSA-N 1 0 261.289 -1.491 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)c1N ZINC001218659776 780179723 /nfs/dbraw/zinc/17/97/23/780179723.db2.gz LFAPFBXFSGDVKM-KBUNVGBDSA-N 1 0 261.289 -1.489 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c1N ZINC001218659777 780179780 /nfs/dbraw/zinc/17/97/80/780179780.db2.gz LFAPFBXFSGDVKM-KGFZYKRKSA-N 1 0 261.289 -1.489 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c1N ZINC001218660782 780180246 /nfs/dbraw/zinc/18/02/46/780180246.db2.gz SIYFRNKCRPRJEO-AMXGMDGSSA-N 1 0 261.289 -1.219 20 30 CAEDRO C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791899 780180259 /nfs/dbraw/zinc/18/02/59/780180259.db2.gz YBTRVCIHFYLDEU-ZJUUUORDSA-N 1 0 253.302 -1.300 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1nnccc1C#N ZINC001218701716 780181578 /nfs/dbraw/zinc/18/15/78/780181578.db2.gz LYLXSQAPGXVANK-UHFFFAOYSA-N 1 0 298.328 -1.493 20 30 CAEDRO N#Cc1ccnnc1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218702241 780181795 /nfs/dbraw/zinc/18/17/95/780181795.db2.gz QAZJPWBUDQUEFT-VIFPVBQESA-N 1 0 274.284 -1.383 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219105079 780192423 /nfs/dbraw/zinc/19/24/23/780192423.db2.gz PJYFQQNRCFTOMR-MNOVXSKESA-N 1 0 255.318 -1.140 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163179 780196352 /nfs/dbraw/zinc/19/63/52/780196352.db2.gz JAEKVEWYEVGBJY-BDAKNGLRSA-N 1 0 256.306 -1.608 20 30 CAEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163262 780198779 /nfs/dbraw/zinc/19/87/79/780198779.db2.gz MCMGGBCXSQPKGZ-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206658 780200231 /nfs/dbraw/zinc/20/02/31/780200231.db2.gz CYNXEIUGYMHOKJ-NEPJUHHUSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223564 780201297 /nfs/dbraw/zinc/20/12/97/780201297.db2.gz NOULAMYBTPPNKC-OLZOCXBDSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219223671 780202037 /nfs/dbraw/zinc/20/20/37/780202037.db2.gz QIKQXYQSRVWNTJ-NEPJUHHUSA-N 1 0 267.329 -1.351 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219259835 780205243 /nfs/dbraw/zinc/20/52/43/780205243.db2.gz YWASHTCNNVZOGC-NEPJUHHUSA-N 1 0 279.340 -1.303 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357907 780212515 /nfs/dbraw/zinc/21/25/15/780212515.db2.gz PDQMZIAXAVGGOJ-MCIONIFRSA-N 1 0 295.383 -1.108 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219363601 780213412 /nfs/dbraw/zinc/21/34/12/780213412.db2.gz AFIZVSZBXCCHSS-UTUOFQBUSA-N 1 0 288.344 -1.642 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219365766 780214345 /nfs/dbraw/zinc/21/43/45/780214345.db2.gz GYPQKQLOBRCNKI-MNOVXSKESA-N 1 0 258.318 -1.267 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001219385726 780216067 /nfs/dbraw/zinc/21/60/67/780216067.db2.gz UNUJFXVCCRAZAX-NEPJUHHUSA-N 1 0 270.329 -1.166 20 30 CAEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412760 780218025 /nfs/dbraw/zinc/21/80/25/780218025.db2.gz FAIXAEZOEFTFJR-ZJUUUORDSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219487507 780222852 /nfs/dbraw/zinc/22/28/52/780222852.db2.gz UTJCPWBZMVWJIP-NEPJUHHUSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 ZINC001219495290 780223539 /nfs/dbraw/zinc/22/35/39/780223539.db2.gz AHJIKQHHNQABQD-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505857 780225195 /nfs/dbraw/zinc/22/51/95/780225195.db2.gz OWSVSDSDDAZQPA-ZJUUUORDSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219508187 780225588 /nfs/dbraw/zinc/22/55/88/780225588.db2.gz QDEWHJJIWJBCCV-ZJUUUORDSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219525000 780226375 /nfs/dbraw/zinc/22/63/75/780226375.db2.gz LZNOYNXMIYBPKP-NEPJUHHUSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219515220 780227452 /nfs/dbraw/zinc/22/74/52/780227452.db2.gz JRTGTTFGRHOSRZ-AEJSXWLSSA-N 1 0 270.333 -1.219 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547500 780228776 /nfs/dbraw/zinc/22/87/76/780228776.db2.gz UAXVTPCXSQUZNN-MXWKQRLJSA-N 1 0 299.327 -1.541 20 30 CAEDRO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219539293 780229033 /nfs/dbraw/zinc/22/90/33/780229033.db2.gz DYYBOBNGYDNZFJ-UPJWGTAASA-N 1 0 284.356 -1.042 20 30 CAEDRO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219539294 780229180 /nfs/dbraw/zinc/22/91/80/780229180.db2.gz DYYBOBNGYDNZFJ-XQQFMLRXSA-N 1 0 284.356 -1.042 20 30 CAEDRO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219582452 780233859 /nfs/dbraw/zinc/23/38/59/780233859.db2.gz BMUIPNIKNBGJQO-XQQFMLRXSA-N 1 0 284.356 -1.186 20 30 CAEDRO CC(=O)N[C@@H](CS)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617966 780240613 /nfs/dbraw/zinc/24/06/13/780240613.db2.gz SOLPFBMYAAWFNE-ATZCPNFKSA-N 1 0 293.364 -1.400 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219674841 780246574 /nfs/dbraw/zinc/24/65/74/780246574.db2.gz DHEFCZPLGAPSIF-TUAOUCFPSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219744831 780256889 /nfs/dbraw/zinc/25/68/89/780256889.db2.gz TYGDQWIXKYWGOR-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742687 780256907 /nfs/dbraw/zinc/25/69/07/780256907.db2.gz NVSOVCNDHVUOJT-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219755927 780256981 /nfs/dbraw/zinc/25/69/81/780256981.db2.gz TYPYZZVDRBGGKT-ZJUUUORDSA-N 1 0 268.317 -1.900 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742552 780257088 /nfs/dbraw/zinc/25/70/88/780257088.db2.gz JGBLVVYSSVLMLK-NEPJUHHUSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCC1(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)CCOCC1 ZINC001219783630 780261093 /nfs/dbraw/zinc/26/10/93/780261093.db2.gz BPSNIABANHOOAX-OLZOCXBDSA-N 1 0 296.367 -1.040 20 30 CAEDRO C=C(C)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219879699 780271356 /nfs/dbraw/zinc/27/13/56/780271356.db2.gz KRRCGNZDICERLA-UHFFFAOYSA-N 1 0 299.331 -3.014 20 30 CAEDRO CC(=O)/C=C(/C)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219910028 780277187 /nfs/dbraw/zinc/27/71/87/780277187.db2.gz LHFVRSMOLRBVQI-GJQXAKHRSA-N 1 0 253.302 -1.074 20 30 CAEDRO N#CNC(=NC(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccncc1 ZINC001219972194 780286702 /nfs/dbraw/zinc/28/67/02/780286702.db2.gz LZZOEQLKPRZTMC-UWVGGRQHSA-N 1 0 258.285 -1.028 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220036338 780295798 /nfs/dbraw/zinc/29/57/98/780295798.db2.gz MSAZZKPLWUUBIA-IUCAKERBSA-N 1 0 286.357 -1.123 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)CNC1CC[NH2+]CC1 ZINC001220036170 780295815 /nfs/dbraw/zinc/29/58/15/780295815.db2.gz KWROIIHPTZKUIH-VIFPVBQESA-N 1 0 275.374 -1.084 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220036772 780295891 /nfs/dbraw/zinc/29/58/91/780295891.db2.gz VLJPUOCULNRSJU-DKCNOQQISA-N 1 0 273.358 -1.475 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220036849 780296050 /nfs/dbraw/zinc/29/60/50/780296050.db2.gz XYOMAGCRVFXPMW-OIBJUYFYSA-N 1 0 261.347 -1.345 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001220035471 780296568 /nfs/dbraw/zinc/29/65/68/780296568.db2.gz DABGIFVRFOPNGI-BQBZGAKWSA-N 1 0 264.303 -1.536 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220043529 780297041 /nfs/dbraw/zinc/29/70/41/780297041.db2.gz VJAMBEXMCCUVMA-UWVGGRQHSA-N 1 0 255.318 -1.092 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220043414 780297987 /nfs/dbraw/zinc/29/79/87/780297987.db2.gz QLGCVCOKLMHBMS-LBPRGKRZSA-N 1 0 254.334 -1.124 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001220131942 780307749 /nfs/dbraw/zinc/30/77/49/780307749.db2.gz BBXVPXANOZYMHA-UTUOFQBUSA-N 1 0 297.355 -1.514 20 30 CAEDRO C=C(C)C(=O)OCCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220124607 780308145 /nfs/dbraw/zinc/30/81/45/780308145.db2.gz DSGDADVMDBTUTF-JTQLQIEISA-N 1 0 283.328 -1.448 20 30 CAEDRO C=C(C)C(=O)OCCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220124530 780308383 /nfs/dbraw/zinc/30/83/83/780308383.db2.gz BIAPZUXQKWYTFR-SECBINFHSA-N 1 0 286.332 -1.002 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220227598 780321531 /nfs/dbraw/zinc/32/15/31/780321531.db2.gz WNGGYHPGQFJDJO-OLZOCXBDSA-N 1 0 292.339 -1.017 20 30 CAEDRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O ZINC001220271942 780328058 /nfs/dbraw/zinc/32/80/58/780328058.db2.gz LPIZTKQISWVSBH-MNOVXSKESA-N 1 0 297.359 -2.261 20 30 CAEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@@H](CO)C(N)=O ZINC001220329253 780337576 /nfs/dbraw/zinc/33/75/76/780337576.db2.gz KEYKKHYYDGIDOW-QWRGUYRKSA-N 1 0 276.296 -1.610 20 30 CAEDRO COc1ccc(C(=NC(=O)CNCC[NH3+])NO)nc1 ZINC001220377127 780341748 /nfs/dbraw/zinc/34/17/48/780341748.db2.gz KRQRNBYPQDMZAO-UHFFFAOYSA-N 1 0 267.289 -1.110 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220363838 780341759 /nfs/dbraw/zinc/34/17/59/780341759.db2.gz QYZFHUFTUYXIHQ-KXNHARMFSA-N 1 0 297.355 -1.528 20 30 CAEDRO COc1ccc(C(=NC(=O)[C@@H](N)C[NH3+])NO)nc1 ZINC001220377118 780341814 /nfs/dbraw/zinc/34/18/14/780341814.db2.gz KKFJVNUQCZJBDQ-ZETCQYMHSA-N 1 0 253.262 -1.372 20 30 CAEDRO COc1ccc(C(=NC(=O)[C@@H]2C[NH2+]CCN2)NO)nc1 ZINC001220377183 780342675 /nfs/dbraw/zinc/34/26/75/780342675.db2.gz MVBKZYXELPUHFG-JTQLQIEISA-N 1 0 279.300 -1.096 20 30 CAEDRO C=C[C@@H](CO)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220393467 780344460 /nfs/dbraw/zinc/34/44/60/780344460.db2.gz YXUYIAGPXRGLOD-QMMMGPOBSA-N 1 0 265.335 -2.130 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220415484 780346039 /nfs/dbraw/zinc/34/60/39/780346039.db2.gz MCUMGMZYNOBNIN-YUMQZZPRSA-N 1 0 279.256 -1.112 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220415199 780346238 /nfs/dbraw/zinc/34/62/38/780346238.db2.gz AMFGMZGGZKEAHL-NSHDSACASA-N 1 0 278.272 -1.001 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)CNCC[NH3+] ZINC001220415563 780346389 /nfs/dbraw/zinc/34/63/89/780346389.db2.gz OQGNXKLXCMUYIB-UHFFFAOYSA-N 1 0 266.261 -1.144 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220415393 780346736 /nfs/dbraw/zinc/34/67/36/780346736.db2.gz JERZGJZZFYEUMT-QMMMGPOBSA-N 1 0 278.272 -1.131 20 30 CAEDRO C#C[C@@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220458474 780349215 /nfs/dbraw/zinc/34/92/15/780349215.db2.gz SKTLREBVCFYJAU-MRVPVSSYSA-N 1 0 297.315 -3.568 20 30 CAEDRO C#C[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220460144 780349346 /nfs/dbraw/zinc/34/93/46/780349346.db2.gz BBAXSBLHSRUYFK-FXQIFTODSA-N 1 0 254.290 -2.168 20 30 CAEDRO C#C[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220460143 780350198 /nfs/dbraw/zinc/35/01/98/780350198.db2.gz BBAXSBLHSRUYFK-CSMHCCOUSA-N 1 0 254.290 -2.168 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)C1(N)CC[NH2+]CC1 ZINC001220499304 780353105 /nfs/dbraw/zinc/35/31/05/780353105.db2.gz WMRXXWIDMMOUMC-QMMMGPOBSA-N 1 0 254.290 -1.361 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)C[C@H]1COCC[NH2+]1 ZINC001220499156 780353210 /nfs/dbraw/zinc/35/32/10/780353210.db2.gz SZRLPCWOKPZACY-IUCAKERBSA-N 1 0 255.274 -1.064 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220499157 780353333 /nfs/dbraw/zinc/35/33/33/780353333.db2.gz SZRLPCWOKPZACY-RKDXNWHRSA-N 1 0 255.274 -1.064 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220499148 780354312 /nfs/dbraw/zinc/35/43/12/780354312.db2.gz SOARYPRTCBHWEU-IUCAKERBSA-N 1 0 282.300 -1.492 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220498879 780354662 /nfs/dbraw/zinc/35/46/62/780354662.db2.gz MWBOUWWSPMKXCT-IUCAKERBSA-N 1 0 265.273 -1.149 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220498877 780354813 /nfs/dbraw/zinc/35/48/13/780354813.db2.gz MWBOUWWSPMKXCT-BDAKNGLRSA-N 1 0 265.273 -1.149 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220498880 780354874 /nfs/dbraw/zinc/35/48/74/780354874.db2.gz MWBOUWWSPMKXCT-RKDXNWHRSA-N 1 0 265.273 -1.149 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220498878 780354977 /nfs/dbraw/zinc/35/49/77/780354977.db2.gz MWBOUWWSPMKXCT-DTWKUNHWSA-N 1 0 265.273 -1.149 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220499103 780355130 /nfs/dbraw/zinc/35/51/30/780355130.db2.gz RMBJPBOQTYWBND-BIIVOSGPSA-N 1 0 286.288 -2.618 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220499125 780355144 /nfs/dbraw/zinc/35/51/44/780355144.db2.gz RZYAFOWYINCPDF-AXTSPUMRSA-N 1 0 266.301 -1.492 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220499170 780355162 /nfs/dbraw/zinc/35/51/62/780355162.db2.gz TXNISKFDJFNQSA-BDAKNGLRSA-N 1 0 282.300 -2.112 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220499093 780355369 /nfs/dbraw/zinc/35/53/69/780355369.db2.gz RFEORYWPGURIOO-KEJSXXJDSA-N 1 0 275.330 -1.346 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220499058 780355813 /nfs/dbraw/zinc/35/58/13/780355813.db2.gz PPIZYKNSRUSDDF-UWVGGRQHSA-N 1 0 296.327 -1.102 20 30 CAEDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C#N)C(N)=O ZINC001220527414 780360302 /nfs/dbraw/zinc/36/03/02/780360302.db2.gz ISWHGNWRRQPMDL-ZKWXMUAHSA-N 1 0 269.305 -2.030 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1)C(N)=O ZINC001220526902 780360523 /nfs/dbraw/zinc/36/05/23/780360523.db2.gz ALSCMDLPEVCSQT-UWVGGRQHSA-N 1 0 262.269 -1.244 20 30 CAEDRO N#C[C@H](NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)C(N)=O ZINC001220527771 780360672 /nfs/dbraw/zinc/36/06/72/780360672.db2.gz ONGOSFNSTOSKFG-NKWVEPMBSA-N 1 0 253.262 -3.190 20 30 CAEDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C#N)C(N)=O ZINC001220527627 780360939 /nfs/dbraw/zinc/36/09/39/780360939.db2.gz LDDLVRTXCBJLFS-JGVFFNPUSA-N 1 0 299.331 -2.261 20 30 CAEDRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H](C#N)C(N)=O)COC1(C)C ZINC001220528059 780361253 /nfs/dbraw/zinc/36/12/53/780361253.db2.gz XUUIDOCQKIIKQR-FXQIFTODSA-N 1 0 297.315 -2.209 20 30 CAEDRO Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220527252 780361379 /nfs/dbraw/zinc/36/13/79/780361379.db2.gz HBJFKYSMBSZUJX-JGVFFNPUSA-N 1 0 250.262 -2.216 20 30 CAEDRO N#C[C@H](NC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1)C(N)=O ZINC001220528055 780361405 /nfs/dbraw/zinc/36/14/05/780361405.db2.gz XRNDQZRKITWYMZ-DCAQKATOSA-N 1 0 279.344 -1.446 20 30 CAEDRO N#C[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C(N)=O ZINC001220527867 780361411 /nfs/dbraw/zinc/36/14/11/780361411.db2.gz QNSSRJFPXCKFIO-RITPCOANSA-N 1 0 256.266 -2.744 20 30 CAEDRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220526921 780361425 /nfs/dbraw/zinc/36/14/25/780361425.db2.gz AVPMAODNEWSQFH-DTWKUNHWSA-N 1 0 269.305 -1.886 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12)C(N)=O ZINC001220527716 780361480 /nfs/dbraw/zinc/36/14/80/780361480.db2.gz MWBKRVWNEVPLEJ-UWVGGRQHSA-N 1 0 286.295 -1.074 20 30 CAEDRO N#C[C@H](NC(=O)CN1CCCC[C@H]([NH3+])C1=O)C(N)=O ZINC001220527742 780361535 /nfs/dbraw/zinc/36/15/35/780361535.db2.gz NPDLCRBAVSNPNL-YUMQZZPRSA-N 1 0 267.289 -2.180 20 30 CAEDRO N#C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12)C(N)=O ZINC001220527717 780361575 /nfs/dbraw/zinc/36/15/75/780361575.db2.gz MWBKRVWNEVPLEJ-VHSXEESVSA-N 1 0 286.295 -1.074 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C#N)C(N)=O ZINC001220528078 780361645 /nfs/dbraw/zinc/36/16/45/780361645.db2.gz YIEGFAZHAPWEBH-ZLUOBGJFSA-N 1 0 284.276 -3.813 20 30 CAEDRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220527431 780361793 /nfs/dbraw/zinc/36/17/93/780361793.db2.gz JCAYQFSIEDKUPY-JGVFFNPUSA-N 1 0 269.305 -2.030 20 30 CAEDRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)C(N)=O ZINC001220528000 780361842 /nfs/dbraw/zinc/36/18/42/780361842.db2.gz WDHDXAVZXYSMBG-JGVFFNPUSA-N 1 0 284.316 -1.200 20 30 CAEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220527734 780361859 /nfs/dbraw/zinc/36/18/59/780361859.db2.gz NINJKXDVJDWKGA-WDEREUQCSA-N 1 0 271.280 -1.078 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(N)=O ZINC001220527882 780362195 /nfs/dbraw/zinc/36/21/95/780362195.db2.gz RQKPKSZDYJYTKF-BQBZGAKWSA-N 1 0 253.262 -2.570 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001220544573 780364132 /nfs/dbraw/zinc/36/41/32/780364132.db2.gz OXXJSWMADDGCPQ-MNOVXSKESA-N 1 0 279.340 -1.303 20 30 CAEDRO COC(=O)c1ccc(C(=N)NC(=O)[C@@H](N)C[NH3+])cc1 ZINC001220579205 780367915 /nfs/dbraw/zinc/36/79/15/780367915.db2.gz ISPWNZXZBKNZNU-VIFPVBQESA-N 1 0 264.285 -1.009 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCCS ZINC001220587324 780367966 /nfs/dbraw/zinc/36/79/66/780367966.db2.gz AGWYAZMAPMFBFV-UHFFFAOYSA-N 1 0 269.392 -1.357 20 30 CAEDRO CC(=O)OC[C@H]([NH3+])C(=O)NC(=N)c1ccc(C(N)=O)cc1 ZINC001220643953 780371260 /nfs/dbraw/zinc/37/12/60/780371260.db2.gz ZGFIXJJNJPOABM-JTQLQIEISA-N 1 0 292.295 -1.092 20 30 CAEDRO NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]C[C@@H]2O)cc1 ZINC001220643345 780371478 /nfs/dbraw/zinc/37/14/78/780371478.db2.gz BHAYCTGBESQNFA-ZJUUUORDSA-N 1 0 276.296 -1.402 20 30 CAEDRO N=C(NC(=O)CNCC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643513 780371576 /nfs/dbraw/zinc/37/15/76/780371576.db2.gz IKINWFJXALDUAI-UHFFFAOYSA-N 1 0 263.301 -1.434 20 30 CAEDRO N=C(NC(=O)[C@@H](N)CC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643320 780372719 /nfs/dbraw/zinc/37/27/19/780372719.db2.gz AEQJDWMMDVRZGG-VIFPVBQESA-N 1 0 263.301 -1.307 20 30 CAEDRO CC(C)C[C@@H](C#N)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220702860 780373221 /nfs/dbraw/zinc/37/32/21/780373221.db2.gz QVPKCLSGKNRYRK-GUBZILKMSA-N 1 0 270.333 -1.135 20 30 CAEDRO CC(C)C[C@H](C#N)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220702859 780373943 /nfs/dbraw/zinc/37/39/43/780373943.db2.gz QVPKCLSGKNRYRK-AEJSXWLSSA-N 1 0 270.333 -1.135 20 30 CAEDRO CC(C)C[C@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220702783 780373956 /nfs/dbraw/zinc/37/39/56/780373956.db2.gz HISHQPKSQRULDS-AEJSXWLSSA-N 1 0 297.359 -1.252 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001220726025 780375786 /nfs/dbraw/zinc/37/57/86/780375786.db2.gz GNFPFZWXXQACFA-MNOVXSKESA-N 1 0 295.343 -1.289 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220767226 780380205 /nfs/dbraw/zinc/38/02/05/780380205.db2.gz UCCIVTIBTAPLLQ-NEPJUHHUSA-N 1 0 271.361 -1.088 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764158 780381216 /nfs/dbraw/zinc/38/12/16/780381216.db2.gz BDIJEVICUGMAQZ-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO CC[C@H](CC#N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220898673 780394125 /nfs/dbraw/zinc/39/41/25/780394125.db2.gz RQGQOSMZMGYGBT-YIZRAAEISA-N 1 0 283.332 -1.498 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935353 780396553 /nfs/dbraw/zinc/39/65/53/780396553.db2.gz BBZMMKZHLKAPDU-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975897 780401152 /nfs/dbraw/zinc/40/11/52/780401152.db2.gz ACCDAZNKLMIIAT-MJBXVCDLSA-N 1 0 295.383 -1.251 20 30 CAEDRO N#Cc1ccc(CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cn1 ZINC001221089071 780402910 /nfs/dbraw/zinc/40/29/10/780402910.db2.gz GVGOYOSIAAIEBY-GFCCVEGCSA-N 1 0 287.323 -1.100 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221496344 780422002 /nfs/dbraw/zinc/42/20/02/780422002.db2.gz UJPGCABIECPOKZ-VXGBXAGGSA-N 1 0 279.340 -1.349 20 30 CAEDRO C#CC[NH+]1CCC(CNC(=O)CN2CCNC(=O)C2)CC1 ZINC001224033760 780432397 /nfs/dbraw/zinc/43/23/97/780432397.db2.gz LJKTVVZLSNKIHU-UHFFFAOYSA-N 1 0 292.383 -1.120 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276969604 780433603 /nfs/dbraw/zinc/43/36/03/780433603.db2.gz GQPMEVOPIISSBW-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276969605 780433673 /nfs/dbraw/zinc/43/36/73/780433673.db2.gz GQPMEVOPIISSBW-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO COCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001276986086 780435225 /nfs/dbraw/zinc/43/52/25/780435225.db2.gz PTRVMWHFLAOJNN-UHFFFAOYSA-N 1 0 254.290 -1.489 20 30 CAEDRO C#CC[NH+]1CCC(CNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001224884064 780436293 /nfs/dbraw/zinc/43/62/93/780436293.db2.gz MBIMSBQKEYYNHJ-UHFFFAOYSA-N 1 0 292.339 -1.000 20 30 CAEDRO Cn1cnc(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)c1 ZINC001277037109 780437835 /nfs/dbraw/zinc/43/78/35/780437835.db2.gz SHVXBLLLLDYSEB-UHFFFAOYSA-N 1 0 290.327 -1.088 20 30 CAEDRO COCC#CC[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226010772 780440424 /nfs/dbraw/zinc/44/04/24/780440424.db2.gz SITOXMHIRXSTRZ-UHFFFAOYSA-N 1 0 282.344 -1.115 20 30 CAEDRO COCC#CC[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001225964877 780440981 /nfs/dbraw/zinc/44/09/81/780440981.db2.gz XMTWKYQDRHGRGN-UHFFFAOYSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001277088094 780441225 /nfs/dbraw/zinc/44/12/25/780441225.db2.gz WONXQQLCXBCTQW-GMTAPVOTSA-N 1 0 285.369 -1.204 20 30 CAEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(=O)NCC#N ZINC001227977289 780449194 /nfs/dbraw/zinc/44/91/94/780449194.db2.gz XTCHPZYPBLZNOG-WDEREUQCSA-N 1 0 297.359 -1.277 20 30 CAEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(=O)NCC#N ZINC001227977287 780449422 /nfs/dbraw/zinc/44/94/22/780449422.db2.gz XTCHPZYPBLZNOG-QWRGUYRKSA-N 1 0 297.359 -1.277 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001228040183 780449481 /nfs/dbraw/zinc/44/94/81/780449481.db2.gz SOCKFCWKKHZPNO-UHFFFAOYSA-N 1 0 294.355 -1.548 20 30 CAEDRO C[C@@H]1CN(C(=O)NCC(=O)NCC#N)[C@@H](C)C[N@@H+]1CCO ZINC001227977286 780449625 /nfs/dbraw/zinc/44/96/25/780449625.db2.gz XTCHPZYPBLZNOG-MNOVXSKESA-N 1 0 297.359 -1.277 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228320874 780450554 /nfs/dbraw/zinc/45/05/54/780450554.db2.gz TWTGXGSJVXNYKE-RKDXNWHRSA-N 1 0 281.316 -1.872 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCC[C@H](C)NC(=O)C(N)=O ZINC001277290982 780451227 /nfs/dbraw/zinc/45/12/27/780451227.db2.gz OALDGZOTXYQBSV-UWVGGRQHSA-N 1 0 282.344 -1.516 20 30 CAEDRO COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001228895606 780451925 /nfs/dbraw/zinc/45/19/25/780451925.db2.gz NNJVSPROELKTAH-LBPRGKRZSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC001229292956 780453485 /nfs/dbraw/zinc/45/34/85/780453485.db2.gz ZVSZUAUQDHQICR-LBPRGKRZSA-N 1 0 294.359 -1.107 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CNC(C)=O ZINC001230620886 780458053 /nfs/dbraw/zinc/45/80/53/780458053.db2.gz DJTZJSOPMJSXQQ-GFCCVEGCSA-N 1 0 294.355 -1.595 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@H]1COC(=O)N1 ZINC001277488042 780462956 /nfs/dbraw/zinc/46/29/56/780462956.db2.gz VAFAYCNVGSFNTF-SNVBAGLBSA-N 1 0 269.301 -1.207 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)Cn1cnnn1 ZINC001277468611 780463002 /nfs/dbraw/zinc/46/30/02/780463002.db2.gz CHDAAKBDZDCEBJ-UHFFFAOYSA-N 1 0 266.305 -1.629 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)C1CS(=O)(=O)C1 ZINC001277493646 780464309 /nfs/dbraw/zinc/46/43/09/780464309.db2.gz BANIRNYTKUDJFT-UHFFFAOYSA-N 1 0 288.369 -1.271 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)OC ZINC001278049287 780502378 /nfs/dbraw/zinc/50/23/78/780502378.db2.gz XCNUEPVFOMZONO-WDEREUQCSA-N 1 0 258.318 -1.262 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)Cn1cncn1 ZINC001277535332 780467066 /nfs/dbraw/zinc/46/70/66/780467066.db2.gz FQKZUTPTOPPBBH-UHFFFAOYSA-N 1 0 265.317 -1.024 20 30 CAEDRO C#CC[NH2+]CCCOCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001277603931 780470148 /nfs/dbraw/zinc/47/01/48/780470148.db2.gz MMEUPNCSBZYFBY-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1C(=O)CNC1=O ZINC001277725671 780472189 /nfs/dbraw/zinc/47/21/89/780472189.db2.gz AOQXSKFPAVPZDB-NSHDSACASA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H](C)NC(C)=O ZINC001233581419 780473865 /nfs/dbraw/zinc/47/38/65/780473865.db2.gz XAFOWVNXBCQSNL-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233722118 780474952 /nfs/dbraw/zinc/47/49/52/780474952.db2.gz MCCIOXHRTHWWFG-SNVBAGLBSA-N 1 0 297.359 -1.769 20 30 CAEDRO CC(=O)N(C)CC(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001234163215 780480263 /nfs/dbraw/zinc/48/02/63/780480263.db2.gz WETYYOLCUYKXAV-UHFFFAOYSA-N 1 0 297.359 -1.457 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CN1CCOCC1=O ZINC001277845857 780481824 /nfs/dbraw/zinc/48/18/24/780481824.db2.gz NTSJZRAJOJQAPY-NSHDSACASA-N 1 0 267.329 -1.085 20 30 CAEDRO C[C@H](CN(C)C(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001277854108 780486317 /nfs/dbraw/zinc/48/63/17/780486317.db2.gz LCCIKENTHOZDGR-SECBINFHSA-N 1 0 297.359 -1.426 20 30 CAEDRO C#CCN1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001235471072 780490173 /nfs/dbraw/zinc/49/01/73/780490173.db2.gz MXBOMVMGCJVFOR-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001277922659 780490842 /nfs/dbraw/zinc/49/08/42/780490842.db2.gz PAMMFRDODVMZKO-BDAKNGLRSA-N 1 0 296.331 -2.256 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001278025762 780498675 /nfs/dbraw/zinc/49/86/75/780498675.db2.gz PMFWGAPWRISWOL-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001278025763 780498701 /nfs/dbraw/zinc/49/87/01/780498701.db2.gz PMFWGAPWRISWOL-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C(F)F ZINC001278034582 780500092 /nfs/dbraw/zinc/50/00/92/780500092.db2.gz NKIWGXDXJCYISY-QMMMGPOBSA-N 1 0 250.245 -1.032 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1CCCC1=O ZINC001278047862 780500199 /nfs/dbraw/zinc/50/01/99/780500199.db2.gz IXKKPOQBRPKZAY-JTQLQIEISA-N 1 0 255.318 -1.139 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC1 ZINC001278036178 780500438 /nfs/dbraw/zinc/50/04/38/780500438.db2.gz YMVFGWCTOKQSGA-VIFPVBQESA-N 1 0 254.290 -1.897 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C(F)F ZINC001278034581 780500513 /nfs/dbraw/zinc/50/05/13/780500513.db2.gz NKIWGXDXJCYISY-MRVPVSSYSA-N 1 0 250.245 -1.032 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001278053097 780501393 /nfs/dbraw/zinc/50/13/93/780501393.db2.gz BINSJASDKNFOCY-GHMZBOCLSA-N 1 0 285.344 -1.608 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001278049375 780501476 /nfs/dbraw/zinc/50/14/76/780501476.db2.gz YOQUGOXDXZMGPI-VIFPVBQESA-N 1 0 281.316 -1.608 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cocn1 ZINC001278053236 780501536 /nfs/dbraw/zinc/50/15/36/780501536.db2.gz DMPCFWXUDAQPGH-ZJUUUORDSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC(F)(F)F ZINC001278054508 780501735 /nfs/dbraw/zinc/50/17/35/780501735.db2.gz SDZFGQQEAJYBAK-QMMMGPOBSA-N 1 0 295.261 -1.245 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CC(N)=O ZINC001278054541 780502107 /nfs/dbraw/zinc/50/21/07/780502107.db2.gz SSYLPOSVIGDNGW-SECBINFHSA-N 1 0 257.290 -2.422 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)OC ZINC001278049285 780502330 /nfs/dbraw/zinc/50/23/30/780502330.db2.gz XCNUEPVFOMZONO-MNOVXSKESA-N 1 0 258.318 -1.262 20 30 CAEDRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)co1 ZINC001278069668 780502977 /nfs/dbraw/zinc/50/29/77/780502977.db2.gz CEUNBWUGOJIELW-NSHDSACASA-N 1 0 294.311 -1.092 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC1CCC1 ZINC001278061768 780503532 /nfs/dbraw/zinc/50/35/32/780503532.db2.gz NUOBIQPGRLLTHS-LBPRGKRZSA-N 1 0 281.356 -1.007 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001278071809 780503594 /nfs/dbraw/zinc/50/35/94/780503594.db2.gz QEQOIKCELCLHNI-MNOVXSKESA-N 1 0 298.343 -1.738 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001278071812 780503766 /nfs/dbraw/zinc/50/37/66/780503766.db2.gz QEQOIKCELCLHNI-WDEREUQCSA-N 1 0 298.343 -1.738 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001278061306 780504091 /nfs/dbraw/zinc/50/40/91/780504091.db2.gz KFGILZIPDHLQPK-LBPRGKRZSA-N 1 0 280.328 -1.331 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(=O)CC ZINC001278085360 780504728 /nfs/dbraw/zinc/50/47/28/780504728.db2.gz NFPNSUQVXYTTDB-ZJUUUORDSA-N 1 0 255.318 -1.399 20 30 CAEDRO C[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001278077011 780505004 /nfs/dbraw/zinc/50/50/04/780505004.db2.gz DQQVFEXILSKLCQ-WCBMZHEXSA-N 1 0 296.327 -1.950 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1ccn(C)n1 ZINC001278076858 780505161 /nfs/dbraw/zinc/50/51/61/780505161.db2.gz BOZCTOZUEZSEHM-NSHDSACASA-N 1 0 250.302 -1.338 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnnn1CC ZINC001278077597 780505496 /nfs/dbraw/zinc/50/54/96/780505496.db2.gz LUEABBZERXHRDO-SECBINFHSA-N 1 0 251.290 -1.389 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)o1 ZINC001278111726 780506444 /nfs/dbraw/zinc/50/64/44/780506444.db2.gz DOHNAYQRBQSBCD-QMMMGPOBSA-N 1 0 265.269 -1.308 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001278111587 780506498 /nfs/dbraw/zinc/50/64/98/780506498.db2.gz CDGPEEXWFUTRLH-ZJUUUORDSA-N 1 0 276.358 -1.326 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001278106057 780506577 /nfs/dbraw/zinc/50/65/77/780506577.db2.gz SWJVAXRMUXHGDO-NXEZZACHSA-N 1 0 276.358 -1.491 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001278111583 780507039 /nfs/dbraw/zinc/50/70/39/780507039.db2.gz CDGPEEXWFUTRLH-NXEZZACHSA-N 1 0 276.358 -1.326 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001278106060 780507183 /nfs/dbraw/zinc/50/71/83/780507183.db2.gz SWJVAXRMUXHGDO-ZJUUUORDSA-N 1 0 276.358 -1.491 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001278128159 780507836 /nfs/dbraw/zinc/50/78/36/780507836.db2.gz GMSYGWGELOEUFH-NSHDSACASA-N 1 0 284.360 -1.939 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001278129579 780508137 /nfs/dbraw/zinc/50/81/37/780508137.db2.gz OMMBXGPNJAACQL-GHMZBOCLSA-N 1 0 285.344 -1.786 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001278129010 780508264 /nfs/dbraw/zinc/50/82/64/780508264.db2.gz LHZNVGRQRZPQOH-MRVPVSSYSA-N 1 0 252.274 -1.561 20 30 CAEDRO C=CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001278131177 780508353 /nfs/dbraw/zinc/50/83/53/780508353.db2.gz ZVIGHWZRZYDVRB-NWDGAFQWSA-N 1 0 298.387 -1.551 20 30 CAEDRO C=CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001278131178 780508571 /nfs/dbraw/zinc/50/85/71/780508571.db2.gz ZVIGHWZRZYDVRB-VXGBXAGGSA-N 1 0 298.387 -1.551 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001278154210 780509761 /nfs/dbraw/zinc/50/97/61/780509761.db2.gz AVNFYDRIHJZQBX-LPEHRKFASA-N 1 0 271.317 -1.728 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001278140125 780510040 /nfs/dbraw/zinc/51/00/40/780510040.db2.gz XUYRQNMFZDFXMD-NNYUYHANSA-N 1 0 252.314 -1.031 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001278140126 780510055 /nfs/dbraw/zinc/51/00/55/780510055.db2.gz XUYRQNMFZDFXMD-WYUUTHIRSA-N 1 0 252.314 -1.031 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001278154205 780510325 /nfs/dbraw/zinc/51/03/25/780510325.db2.gz AVNFYDRIHJZQBX-KXUCPTDWSA-N 1 0 271.317 -1.728 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001278171369 780510958 /nfs/dbraw/zinc/51/09/58/780510958.db2.gz FVUFLWARUICDAP-MRVPVSSYSA-N 1 0 281.272 -2.501 20 30 CAEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001278165625 780511040 /nfs/dbraw/zinc/51/10/40/780511040.db2.gz XVEKKHNOROYPKZ-ZJUUUORDSA-N 1 0 298.343 -1.383 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001278164784 780511181 /nfs/dbraw/zinc/51/11/81/780511181.db2.gz NDJSNEGABRQIFQ-GFCCVEGCSA-N 1 0 280.328 -1.331 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001278156744 780511243 /nfs/dbraw/zinc/51/12/43/780511243.db2.gz ZZJROTMCNMJVNK-JTQLQIEISA-N 1 0 292.339 -1.336 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001278156408 780511279 /nfs/dbraw/zinc/51/12/79/780511279.db2.gz WVXZWXNARVCYFX-OUAUKWLOSA-N 1 0 283.328 -1.891 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001278171289 780511444 /nfs/dbraw/zinc/51/14/44/780511444.db2.gz CZEBZUJQQYAVLK-SECBINFHSA-N 1 0 294.311 -1.561 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC12CCC2 ZINC001278164952 780511465 /nfs/dbraw/zinc/51/14/65/780511465.db2.gz QHXKWDRMOAVVFJ-QWRGUYRKSA-N 1 0 294.355 -1.117 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001278171973 780512030 /nfs/dbraw/zinc/51/20/30/780512030.db2.gz OGJWDCQETSJLBW-JTQLQIEISA-N 1 0 268.321 -1.294 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001278201465 780514314 /nfs/dbraw/zinc/51/43/14/780514314.db2.gz GOWZZGZUIBFZRM-SECBINFHSA-N 1 0 268.317 -1.410 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001278194794 780514331 /nfs/dbraw/zinc/51/43/31/780514331.db2.gz LPPXZJGKNSRCGN-VIFPVBQESA-N 1 0 284.316 -1.867 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001278201954 780515029 /nfs/dbraw/zinc/51/50/29/780515029.db2.gz MKSGMUXMHSJCEK-LLVKDONJSA-N 1 0 290.323 -1.116 20 30 CAEDRO N#CCS(=O)(=O)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239018240 780528899 /nfs/dbraw/zinc/52/88/99/780528899.db2.gz WJFIWTOUCGYJIM-UWVGGRQHSA-N 1 0 258.347 -1.134 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)N1CCNC[C@]12CC[NH2+]C2 ZINC001239025655 780529026 /nfs/dbraw/zinc/52/90/26/780529026.db2.gz MEUNEZXYVXCEGX-VHSXEESVSA-N 1 0 258.347 -1.134 20 30 CAEDRO CC(=O)NCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278333112 780537216 /nfs/dbraw/zinc/53/72/16/780537216.db2.gz CJHWYFHXNAJSQN-GXSJLCMTSA-N 1 0 295.343 -1.659 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001278358326 780537569 /nfs/dbraw/zinc/53/75/69/780537569.db2.gz WSJRPLLZUCEYHD-CYBMUJFWSA-N 1 0 292.343 -1.097 20 30 CAEDRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278333117 780537593 /nfs/dbraw/zinc/53/75/93/780537593.db2.gz CJHWYFHXNAJSQN-ONGXEEELSA-N 1 0 295.343 -1.659 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001278396771 780538268 /nfs/dbraw/zinc/53/82/68/780538268.db2.gz CDNJDDMBPKZENI-UWVGGRQHSA-N 1 0 253.302 -1.300 20 30 CAEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001278396772 780538510 /nfs/dbraw/zinc/53/85/10/780538510.db2.gz CDNJDDMBPKZENI-VHSXEESVSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CCOC[C@H](O)CN[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245983501 780539330 /nfs/dbraw/zinc/53/93/30/780539330.db2.gz LANVFZIZASEFPN-FOGDFJRCSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CCOC[C@H](O)CN[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245983503 780539733 /nfs/dbraw/zinc/53/97/33/780539733.db2.gz LANVFZIZASEFPN-SCVCMEIPSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CCOC[C@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246027602 780540541 /nfs/dbraw/zinc/54/05/41/780540541.db2.gz QBCWPSXDZSSKER-OLZOCXBDSA-N 1 0 253.346 -1.366 20 30 CAEDRO C#CCOC[C@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246027584 780540830 /nfs/dbraw/zinc/54/08/30/780540830.db2.gz QBCWPSXDZSSKER-CHWSQXEVSA-N 1 0 253.346 -1.366 20 30 CAEDRO C#CCOC[C@H](O)CN1C[C@@H]([NH3+])C[C@H]1C(=O)OC ZINC001246068781 780542478 /nfs/dbraw/zinc/54/24/78/780542478.db2.gz XIDRFFOCUBIRMZ-AXFHLTTASA-N 1 0 256.302 -1.428 20 30 CAEDRO C#CCOC[C@H](O)CN1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246053947 780542567 /nfs/dbraw/zinc/54/25/67/780542567.db2.gz VNPIGWJTLULAFI-OUAUKWLOSA-N 1 0 256.302 -1.571 20 30 CAEDRO C#CCOC[C@@H](O)CN1C[C@H]([NH3+])C[C@H]1C(=O)OC ZINC001246068791 780542777 /nfs/dbraw/zinc/54/27/77/780542777.db2.gz XIDRFFOCUBIRMZ-VWYCJHECSA-N 1 0 256.302 -1.428 20 30 CAEDRO C=CCOC[C@H](O)CN1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246054167 780543075 /nfs/dbraw/zinc/54/30/75/780543075.db2.gz XDOXGPWRJAABOT-OUAUKWLOSA-N 1 0 258.318 -1.018 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001251894272 780579623 /nfs/dbraw/zinc/57/96/23/780579623.db2.gz RIGXMDKTTSMFRJ-QWRGUYRKSA-N 1 0 276.358 -1.379 20 30 CAEDRO C#CCOCCOCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251045677 780572967 /nfs/dbraw/zinc/57/29/67/780572967.db2.gz KGMCWAANNKJIBO-CQSZACIVSA-N 1 0 286.372 -1.065 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1CCS(=O)(=O)CC1 ZINC001251708469 780576255 /nfs/dbraw/zinc/57/62/55/780576255.db2.gz RSIOAVDVXYNRBU-UHFFFAOYSA-N 1 0 273.358 -1.009 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001251708559 780576759 /nfs/dbraw/zinc/57/67/59/780576759.db2.gz SUJVAWSTQVSZEH-LLVKDONJSA-N 1 0 282.344 -1.163 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1CC(S(N)(=O)=O)C1 ZINC001251708267 780576809 /nfs/dbraw/zinc/57/68/09/780576809.db2.gz PCHZAZAZSZUISH-UHFFFAOYSA-N 1 0 274.346 -1.766 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CC(=O)NCC(=O)OC ZINC001251893592 780579631 /nfs/dbraw/zinc/57/96/31/780579631.db2.gz GXENRMHJNCRISV-VIFPVBQESA-N 1 0 258.274 -2.124 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001251894273 780579648 /nfs/dbraw/zinc/57/96/48/780579648.db2.gz RIGXMDKTTSMFRJ-WDEREUQCSA-N 1 0 276.358 -1.379 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CC(=O)NCC(=O)OC ZINC001251893585 780579652 /nfs/dbraw/zinc/57/96/52/780579652.db2.gz GXENRMHJNCRISV-SECBINFHSA-N 1 0 258.274 -2.124 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC001251900719 780579721 /nfs/dbraw/zinc/57/97/21/780579721.db2.gz YCUNHUKPKXUALO-UWVGGRQHSA-N 1 0 272.301 -1.736 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001251896799 780579743 /nfs/dbraw/zinc/57/97/43/780579743.db2.gz NUMBMKWCBVNEIM-LBPRGKRZSA-N 1 0 290.385 -1.683 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001251899985 780579821 /nfs/dbraw/zinc/57/98/21/780579821.db2.gz GQFIYMGPZKTYMW-DTWKUNHWSA-N 1 0 257.290 -2.423 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](Cc1c[nH]cn1)C(N)=O ZINC001251907183 780579914 /nfs/dbraw/zinc/57/99/14/780579914.db2.gz VSWCQRSWKKMBEZ-QWRGUYRKSA-N 1 0 266.301 -1.594 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC ZINC001278703623 780592691 /nfs/dbraw/zinc/59/26/91/780592691.db2.gz KLSPOLGZZKWPLR-SNVBAGLBSA-N 1 0 255.318 -1.445 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ccc[nH]1 ZINC001278731779 780593347 /nfs/dbraw/zinc/59/33/47/780593347.db2.gz MHFXQQAOPLWFSS-JTQLQIEISA-N 1 0 293.327 -1.323 20 30 CAEDRO C=C[C@H](O)C[NH2+]CC(=O)NCC(=O)NCC(=O)OCC ZINC001253607695 780593369 /nfs/dbraw/zinc/59/33/69/780593369.db2.gz CWYZJKLEIDYNPP-VIFPVBQESA-N 1 0 287.316 -2.082 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737973 780594211 /nfs/dbraw/zinc/59/42/11/780594211.db2.gz XLQACJLVQIURLK-GHMZBOCLSA-N 1 0 282.344 -1.143 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737878 780594232 /nfs/dbraw/zinc/59/42/32/780594232.db2.gz VWDAYIFDSHGSNR-WDEREUQCSA-N 1 0 280.328 -1.696 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001278738134 780594842 /nfs/dbraw/zinc/59/48/42/780594842.db2.gz ZXXLSWIQDVWTBW-WDEREUQCSA-N 1 0 267.329 -1.303 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757005 780597182 /nfs/dbraw/zinc/59/71/82/780597182.db2.gz XUMXPZKDYGHKBF-ZYHUDNBSSA-N 1 0 281.356 -1.057 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757002 780597698 /nfs/dbraw/zinc/59/76/98/780597698.db2.gz XUMXPZKDYGHKBF-CMPLNLGQSA-N 1 0 281.356 -1.057 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001278752418 780597906 /nfs/dbraw/zinc/59/79/06/780597906.db2.gz FKJFQYCYXMWZBQ-CYBMUJFWSA-N 1 0 267.329 -1.301 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001278752419 780597947 /nfs/dbraw/zinc/59/79/47/780597947.db2.gz FKJFQYCYXMWZBQ-ZDUSSCGKSA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001278751284 780598051 /nfs/dbraw/zinc/59/80/51/780598051.db2.gz YTWBYCPACSIHQJ-NSHDSACASA-N 1 0 299.371 -1.694 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)N1CCCC1 ZINC001278755592 780598089 /nfs/dbraw/zinc/59/80/89/780598089.db2.gz GWMQXJXITOLSBW-LBPRGKRZSA-N 1 0 296.371 -1.166 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278756297 780598272 /nfs/dbraw/zinc/59/82/72/780598272.db2.gz NLWFLIDAINOCCT-CHWSQXEVSA-N 1 0 284.356 -1.184 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001278765893 780600060 /nfs/dbraw/zinc/60/00/60/780600060.db2.gz DWQUHKQLWZPOSI-BXUZGUMPSA-N 1 0 279.340 -1.159 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001278768389 780600858 /nfs/dbraw/zinc/60/08/58/780600858.db2.gz VMGMRJWFLOEWKP-NSHDSACASA-N 1 0 283.328 -2.113 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001278768118 780601159 /nfs/dbraw/zinc/60/11/59/780601159.db2.gz OIDQLLYPTIZTGC-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001278768116 780601413 /nfs/dbraw/zinc/60/14/13/780601413.db2.gz OIDQLLYPTIZTGC-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001278776702 780603011 /nfs/dbraw/zinc/60/30/11/780603011.db2.gz MMNHAGCEXOOYLL-CABZTGNLSA-N 1 0 267.285 -1.719 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001278776703 780603282 /nfs/dbraw/zinc/60/32/82/780603282.db2.gz MMNHAGCEXOOYLL-JOYOIKCWSA-N 1 0 267.285 -1.719 20 30 CAEDRO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C#CC2CC2)C1 ZINC001278776474 780603632 /nfs/dbraw/zinc/60/36/32/780603632.db2.gz JGMSXDGAIJRGDH-ZFWWWQNUSA-N 1 0 296.367 -1.040 20 30 CAEDRO O=C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001254434183 780604227 /nfs/dbraw/zinc/60/42/27/780604227.db2.gz KLEYBAFMLDKPBJ-UMSGYPCISA-N 1 0 287.356 -1.059 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001278799407 780606633 /nfs/dbraw/zinc/60/66/33/780606633.db2.gz AIZMKLKJTYSGCD-CABZTGNLSA-N 1 0 266.301 -2.146 20 30 CAEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C1 ZINC001254652393 780607195 /nfs/dbraw/zinc/60/71/95/780607195.db2.gz CWZLUFREUKIWMF-DTWKUNHWSA-N 1 0 281.316 -2.014 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001278809916 780607626 /nfs/dbraw/zinc/60/76/26/780607626.db2.gz IQVVNPNPEBTJOK-TVQRCGJNSA-N 1 0 296.327 -1.677 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)nn1 ZINC001278811490 780607725 /nfs/dbraw/zinc/60/77/25/780607725.db2.gz VLMRRVDGDZWLCO-CYBMUJFWSA-N 1 0 295.343 -1.377 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001278822226 780608757 /nfs/dbraw/zinc/60/87/57/780608757.db2.gz IHWVEDHGYAAJQS-JTQLQIEISA-N 1 0 268.321 -1.342 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001278815509 780608868 /nfs/dbraw/zinc/60/88/68/780608868.db2.gz FPZIGJAFWXAPOI-GFCCVEGCSA-N 1 0 278.316 -1.751 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001278822229 780609274 /nfs/dbraw/zinc/60/92/74/780609274.db2.gz IHWVEDHGYAAJQS-SNVBAGLBSA-N 1 0 268.321 -1.342 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001278859665 780613552 /nfs/dbraw/zinc/61/35/52/780613552.db2.gz FZGQOLJIOOWXAZ-NEPJUHHUSA-N 1 0 281.356 -1.103 20 30 CAEDRO CN1CCC[C@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001255470844 780615127 /nfs/dbraw/zinc/61/51/27/780615127.db2.gz SBNVAGSWYDYBLC-PREPNJAASA-N 1 0 276.333 -2.687 20 30 CAEDRO CN1CCC[C@@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001255470843 780615526 /nfs/dbraw/zinc/61/55/26/780615526.db2.gz SBNVAGSWYDYBLC-IYKVGLELSA-N 1 0 276.333 -2.687 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001278873151 780616156 /nfs/dbraw/zinc/61/61/56/780616156.db2.gz BIYJVDRCBFIDEA-UTUOFQBUSA-N 1 0 281.356 -1.118 20 30 CAEDRO C#CCN1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001278932348 780623751 /nfs/dbraw/zinc/62/37/51/780623751.db2.gz ROTUDQDFSHCBAL-CYBMUJFWSA-N 1 0 295.383 -1.249 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001278991581 780626706 /nfs/dbraw/zinc/62/67/06/780626706.db2.gz JUYBMKFLNBIYMV-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO N#CC1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001256959007 780626981 /nfs/dbraw/zinc/62/69/81/780626981.db2.gz SHNDTSVLGFGMBD-DRDCGPAESA-N 1 0 286.328 -1.542 20 30 CAEDRO C[C@@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](C)O1 ZINC001257074694 780627139 /nfs/dbraw/zinc/62/71/39/780627139.db2.gz SRLCMLNVOCWCCC-KVYJJMQOSA-N 1 0 291.344 -1.826 20 30 CAEDRO CC1(C)CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001258594915 780634010 /nfs/dbraw/zinc/63/40/10/780634010.db2.gz OQHDAXVKBAYYTK-IYKVGLELSA-N 1 0 275.345 -1.203 20 30 CAEDRO C=CCC[C@@H](C)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001258722218 780635075 /nfs/dbraw/zinc/63/50/75/780635075.db2.gz MWHOQIAMDRNHBJ-ZKSVUJDCSA-N 1 0 261.318 -1.269 20 30 CAEDRO C[C@H]1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001258807725 780635145 /nfs/dbraw/zinc/63/51/45/780635145.db2.gz KAJZJIJKVQWCPZ-MJYBNVITSA-N 1 0 275.345 -1.203 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NCC[NH2+]CCC ZINC001261380030 780662890 /nfs/dbraw/zinc/66/28/90/780662890.db2.gz UJQIHYZSRVXHLS-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@H](C[NH3+])C1 ZINC001261425247 780663056 /nfs/dbraw/zinc/66/30/56/780663056.db2.gz STRPWPOSKCGYQK-MFKMUULPSA-N 1 0 297.334 -1.448 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NCCC[NH2+]C)nn1 ZINC001261434966 780663088 /nfs/dbraw/zinc/66/30/88/780663088.db2.gz DHZNJUWWZZAUAG-UHFFFAOYSA-N 1 0 280.332 -1.194 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCOCCS(C)(=O)=O ZINC001261436588 780663125 /nfs/dbraw/zinc/66/31/25/780663125.db2.gz FVORVHDWAQBRBT-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO COCC(=O)NCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001261461868 780665067 /nfs/dbraw/zinc/66/50/67/780665067.db2.gz AYCKBENCYHRCBP-BDAKNGLRSA-N 1 0 254.290 -1.633 20 30 CAEDRO COCC(=O)NCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001261461870 780665524 /nfs/dbraw/zinc/66/55/24/780665524.db2.gz AYCKBENCYHRCBP-IUCAKERBSA-N 1 0 254.290 -1.633 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([NH3+])CC2)C1=O ZINC001261490640 780666637 /nfs/dbraw/zinc/66/66/37/780666637.db2.gz ZQNLARAMSFCFMK-UHFFFAOYSA-N 1 0 294.311 -1.087 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001261494742 780667380 /nfs/dbraw/zinc/66/73/80/780667380.db2.gz BWIHDEKAWMJIHA-RQJHMYQMSA-N 1 0 265.233 -1.586 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCN1C(=O)CNC1=O ZINC001261494967 780667551 /nfs/dbraw/zinc/66/75/51/780667551.db2.gz LRUADHVVRZUCDT-BDAKNGLRSA-N 1 0 279.300 -1.454 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCN1C(=O)CNC1=O ZINC001261494968 780667594 /nfs/dbraw/zinc/66/75/94/780667594.db2.gz LRUADHVVRZUCDT-DTWKUNHWSA-N 1 0 279.300 -1.454 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001261494739 780667778 /nfs/dbraw/zinc/66/77/78/780667778.db2.gz BWIHDEKAWMJIHA-BQBZGAKWSA-N 1 0 265.233 -1.586 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCc1cnnn1C ZINC001261566677 780672905 /nfs/dbraw/zinc/67/29/05/780672905.db2.gz VWANLSVURYVINE-UHFFFAOYSA-N 1 0 281.364 -1.188 20 30 CAEDRO CC#CCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261557638 780672929 /nfs/dbraw/zinc/67/29/29/780672929.db2.gz LDYBSBBNWVKMEO-NWDGAFQWSA-N 1 0 279.340 -1.255 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001262491418 780712118 /nfs/dbraw/zinc/71/21/18/780712118.db2.gz BJIITWTZFIRLOX-NSHDSACASA-N 1 0 269.349 -1.192 20 30 CAEDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001262489855 780712168 /nfs/dbraw/zinc/71/21/68/780712168.db2.gz KAHNIJDYJWECKR-QWRGUYRKSA-N 1 0 296.327 -1.816 20 30 CAEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C1 ZINC001262488533 780712198 /nfs/dbraw/zinc/71/21/98/780712198.db2.gz FCCFTINSSGCLOR-ZWNOBZJWSA-N 1 0 280.328 -1.052 20 30 CAEDRO CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)NCC1=O ZINC001263105649 780721088 /nfs/dbraw/zinc/72/10/88/780721088.db2.gz UQSJFUCKDQVJMD-DJLDLDEBSA-N 1 0 251.290 -2.356 20 30 CAEDRO CN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)NCC1=O ZINC001263105650 780721169 /nfs/dbraw/zinc/72/11/69/780721169.db2.gz UQSJFUCKDQVJMD-HRDYMLBCSA-N 1 0 251.290 -2.356 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC001263158017 780722540 /nfs/dbraw/zinc/72/25/40/780722540.db2.gz PJEIVNSNUMEFIE-SNVBAGLBSA-N 1 0 273.358 -1.299 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001263841969 780731913 /nfs/dbraw/zinc/73/19/13/780731913.db2.gz AQQCTQIDSDERBR-DTORHVGOSA-N 1 0 268.317 -1.742 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001263918153 780733066 /nfs/dbraw/zinc/73/30/66/780733066.db2.gz RIGBUOAWGUPJHR-DTWKUNHWSA-N 1 0 281.316 -2.014 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001263868681 780733411 /nfs/dbraw/zinc/73/34/11/780733411.db2.gz QJAHFLQEVAJFNG-MGCOHNPYSA-N 1 0 290.389 -1.289 20 30 CAEDRO C=C[C@@H](O)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001263994201 780734114 /nfs/dbraw/zinc/73/41/14/780734114.db2.gz JATASMJFICOFPA-DMDPSCGWSA-N 1 0 270.329 -1.125 20 30 CAEDRO C=C[C@H](O)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001263994202 780734697 /nfs/dbraw/zinc/73/46/97/780734697.db2.gz JATASMJFICOFPA-GMXVVIOVSA-N 1 0 270.329 -1.125 20 30 CAEDRO COCC#CC[NH2+]C1CC(CNC(=O)Cn2cnnn2)C1 ZINC001264210383 780736560 /nfs/dbraw/zinc/73/65/60/780736560.db2.gz GJULRFRQXCGNGE-UHFFFAOYSA-N 1 0 292.343 -1.193 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001264427703 780737164 /nfs/dbraw/zinc/73/71/64/780737164.db2.gz BUDQWZRKBVQLRX-MGCOHNPYSA-N 1 0 288.373 -1.842 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001264406436 780737589 /nfs/dbraw/zinc/73/75/89/780737589.db2.gz YZDRBUDABZIZFQ-DTORHVGOSA-N 1 0 291.315 -1.458 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C(N)=O ZINC001265030963 780742208 /nfs/dbraw/zinc/74/22/08/780742208.db2.gz RGMDOUBOCZBZFD-VIFPVBQESA-N 1 0 270.333 -1.400 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)CNC(=O)NC)CC1 ZINC001265244591 780743091 /nfs/dbraw/zinc/74/30/91/780743091.db2.gz HWYPZLNHMUBTDV-UHFFFAOYSA-N 1 0 295.387 -1.328 20 30 CAEDRO N#CCSCC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001265255931 780745558 /nfs/dbraw/zinc/74/55/58/780745558.db2.gz HBBOOVOIOYIXBA-UHFFFAOYSA-N 1 0 286.401 -1.031 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)COC)C1CC1 ZINC001265342967 780748840 /nfs/dbraw/zinc/74/88/40/780748840.db2.gz CDIFIVXRKHHGJT-LLVKDONJSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001265438132 780749622 /nfs/dbraw/zinc/74/96/22/780749622.db2.gz XEXXVMPFOQEVIB-UWVGGRQHSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001265489456 780750837 /nfs/dbraw/zinc/75/08/37/780750837.db2.gz HEOWPCDCUDDORB-DCAQKATOSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001265459932 780750897 /nfs/dbraw/zinc/75/08/97/780750897.db2.gz RNKHDQDMDHNKKS-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)CC)C1 ZINC001265470491 780751270 /nfs/dbraw/zinc/75/12/70/780751270.db2.gz KFGMMSDXJIFMOB-XYPYZODXSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)OC)C1 ZINC001265467227 780751337 /nfs/dbraw/zinc/75/13/37/780751337.db2.gz KMNSFTFVJBMGIB-MGCOHNPYSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001265487598 780751367 /nfs/dbraw/zinc/75/13/67/780751367.db2.gz BJTYMPSEAQFHPH-XYPYZODXSA-N 1 0 277.328 -1.158 20 30 CAEDRO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)c1 ZINC001265473822 780751421 /nfs/dbraw/zinc/75/14/21/780751421.db2.gz CYUCOLHFPZQIKR-MGCOHNPYSA-N 1 0 290.327 -1.090 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001265470847 780751472 /nfs/dbraw/zinc/75/14/72/780751472.db2.gz UYKDECUYNDRRCC-HAQNSBGRSA-N 1 0 289.339 -1.062 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001265537160 780752725 /nfs/dbraw/zinc/75/27/25/780752725.db2.gz MSSYWCHHZYTGKP-AXFHLTTASA-N 1 0 281.312 -1.019 20 30 CAEDRO COC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265530112 780752736 /nfs/dbraw/zinc/75/27/36/780752736.db2.gz UWLJXPVZPCIXEY-DTORHVGOSA-N 1 0 297.315 -1.781 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001265550916 780752799 /nfs/dbraw/zinc/75/27/99/780752799.db2.gz MRLIGBPLPDKTRQ-AOOOYVTPSA-N 1 0 288.373 -1.700 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001265635444 780754094 /nfs/dbraw/zinc/75/40/94/780754094.db2.gz XGKCILWABJQCSB-NSHDSACASA-N 1 0 292.339 -1.000 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CNC(C)=O ZINC001265748835 780755931 /nfs/dbraw/zinc/75/59/31/780755931.db2.gz SHZAKNOVVNXLMF-VIFPVBQESA-N 1 0 270.333 -1.481 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnccn1 ZINC001265748403 780756082 /nfs/dbraw/zinc/75/60/82/780756082.db2.gz JYUHUAXXZRLPJN-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]CC(=O)NCC#N ZINC001265774499 780756913 /nfs/dbraw/zinc/75/69/13/780756913.db2.gz FPHYUIVLPQBYRK-MRVPVSSYSA-N 1 0 280.292 -2.593 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CNC(=O)NC ZINC001265781623 780757148 /nfs/dbraw/zinc/75/71/48/780757148.db2.gz IOIYTUZAMKYOCZ-ZJUUUORDSA-N 1 0 299.375 -1.300 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CNC(=O)NC ZINC001265781620 780757301 /nfs/dbraw/zinc/75/73/01/780757301.db2.gz IOIYTUZAMKYOCZ-NXEZZACHSA-N 1 0 299.375 -1.300 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001265759003 780757420 /nfs/dbraw/zinc/75/74/20/780757420.db2.gz NMFUAHMHXANENK-NXEZZACHSA-N 1 0 280.328 -1.891 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC(C)(C)O ZINC001265771014 780757446 /nfs/dbraw/zinc/75/74/46/780757446.db2.gz OHHLZDCZOBOBDB-JTQLQIEISA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001265793971 780758018 /nfs/dbraw/zinc/75/80/18/780758018.db2.gz DVEJMAVEMPFZLN-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001265782763 780758542 /nfs/dbraw/zinc/75/85/42/780758542.db2.gz CAMFCEMYBDWRPV-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001265782768 780758800 /nfs/dbraw/zinc/75/88/00/780758800.db2.gz CAMFCEMYBDWRPV-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001265819092 780759855 /nfs/dbraw/zinc/75/98/55/780759855.db2.gz YLSKVZXFXGQFEW-NXEZZACHSA-N 1 0 294.355 -1.516 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001265824229 780760069 /nfs/dbraw/zinc/76/00/69/780760069.db2.gz RPTGCJNIGUGROC-SSDOTTSWSA-N 1 0 287.345 -1.049 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001265822913 780760297 /nfs/dbraw/zinc/76/02/97/780760297.db2.gz APJSCIOFCMVQAW-AXFHLTTASA-N 1 0 267.329 -1.148 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001265832193 780760472 /nfs/dbraw/zinc/76/04/72/780760472.db2.gz FAZKUWHDFXTIST-SNVBAGLBSA-N 1 0 292.339 -1.185 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)CNC(=O)C(N)=O ZINC001265818102 780760521 /nfs/dbraw/zinc/76/05/21/780760521.db2.gz DLSDJUBZCCJYKR-JTQLQIEISA-N 1 0 282.344 -1.233 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001265832192 780760535 /nfs/dbraw/zinc/76/05/35/780760535.db2.gz FAZKUWHDFXTIST-JTQLQIEISA-N 1 0 292.339 -1.185 20 30 CAEDRO C[C@@H](CNC(=O)c1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001265841409 780761102 /nfs/dbraw/zinc/76/11/02/780761102.db2.gz NOOKIXQNBPYNGL-ZETCQYMHSA-N 1 0 265.277 -1.848 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001265885814 780762848 /nfs/dbraw/zinc/76/28/48/780762848.db2.gz YCIZVHIJRFRTAF-JTQLQIEISA-N 1 0 294.311 -1.295 20 30 CAEDRO COC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265888610 780762995 /nfs/dbraw/zinc/76/29/95/780762995.db2.gz UCVITKGZBNVXDB-VIFPVBQESA-N 1 0 297.315 -1.827 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001265901235 780763012 /nfs/dbraw/zinc/76/30/12/780763012.db2.gz SOWSVMLOJGLSJE-WCQYABFASA-N 1 0 281.356 -1.057 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001265861376 780763033 /nfs/dbraw/zinc/76/30/33/780763033.db2.gz NFYCALYIGNCOEV-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001265901508 780763160 /nfs/dbraw/zinc/76/31/60/780763160.db2.gz XYCHUZZLNXQVNO-IUCAKERBSA-N 1 0 295.299 -2.075 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001265885460 780763192 /nfs/dbraw/zinc/76/31/92/780763192.db2.gz KIBIFARHQAVZBM-JQWIXIFHSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001265885461 780763405 /nfs/dbraw/zinc/76/34/05/780763405.db2.gz KIBIFARHQAVZBM-PWSUYJOCSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001265865313 780763488 /nfs/dbraw/zinc/76/34/88/780763488.db2.gz YYUJLPGKMAJSTC-NSHDSACASA-N 1 0 287.385 -1.556 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001265888867 780763779 /nfs/dbraw/zinc/76/37/79/780763779.db2.gz XGXNIYHRBAUAFF-JTQLQIEISA-N 1 0 275.312 -1.037 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001265910496 780764561 /nfs/dbraw/zinc/76/45/61/780764561.db2.gz DPVPVQGWCQXABH-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C[N@H+](CCCNC(=O)c1nnc[nH]1)CC(=O)NCC#N ZINC001265940970 780765169 /nfs/dbraw/zinc/76/51/69/780765169.db2.gz QOOMJJLAJBWWSV-UHFFFAOYSA-N 1 0 279.304 -1.504 20 30 CAEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001265903347 780765362 /nfs/dbraw/zinc/76/53/62/780765362.db2.gz NVBVRLXRBDZGOT-JTQLQIEISA-N 1 0 296.327 -1.588 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001265926643 780765430 /nfs/dbraw/zinc/76/54/30/780765430.db2.gz DLKNGYGBKKWELB-JTQLQIEISA-N 1 0 295.343 -1.576 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001265990509 780766291 /nfs/dbraw/zinc/76/62/91/780766291.db2.gz QDSRJPJSQZFIFS-NSHDSACASA-N 1 0 277.328 -1.347 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001265989975 780766436 /nfs/dbraw/zinc/76/64/36/780766436.db2.gz KLIOJYWYLVFYCA-LBPRGKRZSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266004248 780766489 /nfs/dbraw/zinc/76/64/89/780766489.db2.gz BGTYKMGJFHVATJ-GFCCVEGCSA-N 1 0 278.356 -1.511 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001265986419 780766641 /nfs/dbraw/zinc/76/66/41/780766641.db2.gz FSKDDQSZRYLNEE-UWVGGRQHSA-N 1 0 278.312 -1.344 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001266013476 780767296 /nfs/dbraw/zinc/76/72/96/780767296.db2.gz YAUYNUZXEIMQLH-NXEZZACHSA-N 1 0 282.344 -1.400 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001266013484 780767337 /nfs/dbraw/zinc/76/73/37/780767337.db2.gz YAUYNUZXEIMQLH-ZJUUUORDSA-N 1 0 282.344 -1.400 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266034938 780767828 /nfs/dbraw/zinc/76/78/28/780767828.db2.gz UPGFKWXAQYTQGT-NSHDSACASA-N 1 0 292.339 -1.048 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266052984 780768727 /nfs/dbraw/zinc/76/87/27/780768727.db2.gz ZAVOEQUXMUYDCH-GHMZBOCLSA-N 1 0 294.355 -1.372 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266052987 780768842 /nfs/dbraw/zinc/76/88/42/780768842.db2.gz ZAVOEQUXMUYDCH-WDEREUQCSA-N 1 0 294.355 -1.372 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)CC(N)=O ZINC001266134012 780769457 /nfs/dbraw/zinc/76/94/57/780769457.db2.gz QXUJYUMLDSQOGE-SECBINFHSA-N 1 0 268.317 -1.904 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)c1nnn(C)n1 ZINC001266170374 780770161 /nfs/dbraw/zinc/77/01/61/780770161.db2.gz SBTSCGUWMLAUKZ-SNVBAGLBSA-N 1 0 280.332 -1.042 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C(C)(C)C(N)=O ZINC001266152688 780770263 /nfs/dbraw/zinc/77/02/63/780770263.db2.gz QTUXYIVCHLNXDY-SNVBAGLBSA-N 1 0 296.371 -1.268 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266151261 780770597 /nfs/dbraw/zinc/77/05/97/780770597.db2.gz ACOOESQRNOHBGT-IUCAKERBSA-N 1 0 266.301 -1.298 20 30 CAEDRO C[C@@H](CCNC(=O)c1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001266178767 780771867 /nfs/dbraw/zinc/77/18/67/780771867.db2.gz LXZKPLVMGQUPBS-QMMMGPOBSA-N 1 0 279.304 -1.458 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001266190452 780772084 /nfs/dbraw/zinc/77/20/84/780772084.db2.gz YHDGTVDBNZMGEG-SNVBAGLBSA-N 1 0 294.355 -1.468 20 30 CAEDRO CC#CC[NH2+][C@H](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001266191730 780772121 /nfs/dbraw/zinc/77/21/21/780772121.db2.gz IMHWACOKZJFZHI-SNVBAGLBSA-N 1 0 292.343 -1.115 20 30 CAEDRO C[C@H](CCNC(=O)c1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001266178766 780772276 /nfs/dbraw/zinc/77/22/76/780772276.db2.gz LXZKPLVMGQUPBS-MRVPVSSYSA-N 1 0 279.304 -1.458 20 30 CAEDRO C=CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001279492454 780773512 /nfs/dbraw/zinc/77/35/12/780773512.db2.gz ZKAJHTJAZGQNPO-LBPRGKRZSA-N 1 0 280.332 -1.198 20 30 CAEDRO C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001279388639 780773612 /nfs/dbraw/zinc/77/36/12/780773612.db2.gz PIRNDWPCVYOZLA-AOOOYVTPSA-N 1 0 278.312 -2.389 20 30 CAEDRO C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001279510085 780773729 /nfs/dbraw/zinc/77/37/29/780773729.db2.gz UNNWRMLENXNTII-FZMZJTMJSA-N 1 0 294.355 -1.366 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001279408549 780774092 /nfs/dbraw/zinc/77/40/92/780774092.db2.gz FTTRXYKPQZBHEH-SNVBAGLBSA-N 1 0 269.301 -1.207 20 30 CAEDRO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)C(N)=O ZINC001279672763 780775604 /nfs/dbraw/zinc/77/56/04/780775604.db2.gz MGJSJVNXXVTKQY-DTWKUNHWSA-N 1 0 256.306 -1.570 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCC1 ZINC001280507788 780782418 /nfs/dbraw/zinc/78/24/18/780782418.db2.gz JMQPTGOTADKGJL-VIFPVBQESA-N 1 0 278.312 -1.154 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 ZINC001280569761 780783480 /nfs/dbraw/zinc/78/34/80/780783480.db2.gz LDVJUWLWDLQQBU-NEPJUHHUSA-N 1 0 279.340 -1.037 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280565708 780784210 /nfs/dbraw/zinc/78/42/10/780784210.db2.gz GYMMNSAXKYHVKY-SNVBAGLBSA-N 1 0 298.343 -2.019 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001280598105 780784952 /nfs/dbraw/zinc/78/49/52/780784952.db2.gz WREZQTIBVNTZMU-JTQLQIEISA-N 1 0 267.329 -1.052 20 30 CAEDRO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001280582927 780785332 /nfs/dbraw/zinc/78/53/32/780785332.db2.gz MKWKDLFFHITWEK-LLVKDONJSA-N 1 0 265.313 -1.298 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001280598108 780785381 /nfs/dbraw/zinc/78/53/81/780785381.db2.gz WREZQTIBVNTZMU-SNVBAGLBSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CCC[NH2+]CC1(NC(=O)C(N)=O)CCOCC1 ZINC001281264211 780800162 /nfs/dbraw/zinc/80/01/62/780800162.db2.gz HVAPZBXVWLPMLJ-UHFFFAOYSA-N 1 0 253.302 -1.250 20 30 CAEDRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001281389850 780802483 /nfs/dbraw/zinc/80/24/83/780802483.db2.gz XVGGGKQZAPIXFT-BDAKNGLRSA-N 1 0 281.316 -2.062 20 30 CAEDRO C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001281713358 780806472 /nfs/dbraw/zinc/80/64/72/780806472.db2.gz VEBFMHLFFHJMHH-DTWKUNHWSA-N 1 0 297.315 -1.781 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001281799758 780806869 /nfs/dbraw/zinc/80/68/69/780806869.db2.gz MJAASJVTUXUHIV-UHFFFAOYSA-N 1 0 253.302 -1.562 20 30 CAEDRO C[C@@H](CCNC(=O)Cn1cncn1)[NH2+]CC(=O)NCC#N ZINC001281770044 780807076 /nfs/dbraw/zinc/80/70/76/780807076.db2.gz GLBQDLRZBRDVSD-JTQLQIEISA-N 1 0 293.331 -1.598 20 30 CAEDRO C=CCOCC[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001281816642 780808049 /nfs/dbraw/zinc/80/80/49/780808049.db2.gz JWMGYRBLHQZEPE-UHFFFAOYSA-N 1 0 285.344 -1.383 20 30 CAEDRO C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001281816597 780808456 /nfs/dbraw/zinc/80/84/56/780808456.db2.gz IQMPJBPGSRDIAG-LLVKDONJSA-N 1 0 294.355 -1.366 20 30 CAEDRO C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001282160842 780811884 /nfs/dbraw/zinc/81/18/84/780811884.db2.gz NZFWOHSYKQIOFJ-JGVFFNPUSA-N 1 0 279.304 -1.459 20 30 CAEDRO C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001282160815 780812020 /nfs/dbraw/zinc/81/20/20/780812020.db2.gz NZFWOHSYKQIOFJ-HTQZYQBOSA-N 1 0 279.304 -1.459 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001282207901 780814256 /nfs/dbraw/zinc/81/42/56/780814256.db2.gz RBWYHCHFZNRSSR-RKDXNWHRSA-N 1 0 278.316 -1.350 20 30 CAEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001282431973 780816241 /nfs/dbraw/zinc/81/62/41/780816241.db2.gz CNYBQZKWZFVYKR-JTQLQIEISA-N 1 0 290.389 -1.500 20 30 CAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001282873430 780824420 /nfs/dbraw/zinc/82/44/20/780824420.db2.gz KCWGJXZAPYGISL-OWUUHHOZSA-N 1 0 278.312 -2.485 20 30 CAEDRO COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001282847574 780824547 /nfs/dbraw/zinc/82/45/47/780824547.db2.gz YDJHELOKVAFMKT-CNDDSTCGSA-N 1 0 279.340 -1.194 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001282911902 780828005 /nfs/dbraw/zinc/82/80/05/780828005.db2.gz BJILWYRQWGGBIU-MNOVXSKESA-N 1 0 283.328 -1.673 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001282902375 780828051 /nfs/dbraw/zinc/82/80/51/780828051.db2.gz FVOJMWSOWMJHKP-VXGBXAGGSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CNC(=O)NC)CCO1 ZINC001282911632 780828234 /nfs/dbraw/zinc/82/82/34/780828234.db2.gz MRNNDLISEJYUAY-WDEREUQCSA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001282902374 780828526 /nfs/dbraw/zinc/82/85/26/780828526.db2.gz FVOJMWSOWMJHKP-RYUDHWBXSA-N 1 0 297.355 -1.283 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001282911900 780828702 /nfs/dbraw/zinc/82/87/02/780828702.db2.gz BJILWYRQWGGBIU-GHMZBOCLSA-N 1 0 283.328 -1.673 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)CN1CCNC(=O)C1 ZINC001283405582 780851141 /nfs/dbraw/zinc/85/11/41/780851141.db2.gz JOIBJGASAFTDSJ-UHFFFAOYSA-N 1 0 296.371 -1.884 20 30 CAEDRO C[C@@H](CN(C)C(=O)Cn1cccn1)[NH2+]CC(=O)NCC#N ZINC001283570371 780854746 /nfs/dbraw/zinc/85/47/46/780854746.db2.gz DIZILBGFSKFKMR-NSHDSACASA-N 1 0 292.343 -1.041 20 30 CAEDRO CCNC(=O)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001283598370 780854773 /nfs/dbraw/zinc/85/47/73/780854773.db2.gz MUOQJMODNHYOBT-SNVBAGLBSA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CS(=O)(=O)NC ZINC001283556819 780854836 /nfs/dbraw/zinc/85/48/36/780854836.db2.gz MCOQMVMTSHUGRR-LLVKDONJSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CNC(=O)CC ZINC001283581428 780854873 /nfs/dbraw/zinc/85/48/73/780854873.db2.gz HNQXEYMVBUZWHI-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO CCNC(=O)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001283598368 780855033 /nfs/dbraw/zinc/85/50/33/780855033.db2.gz MUOQJMODNHYOBT-JTQLQIEISA-N 1 0 297.359 -1.411 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC(N)=O ZINC001283590012 780855115 /nfs/dbraw/zinc/85/51/15/780855115.db2.gz CCSNRJAEGLBWOW-VIFPVBQESA-N 1 0 270.333 -1.400 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCNC(N)=O ZINC001283715670 780857129 /nfs/dbraw/zinc/85/71/29/780857129.db2.gz YYLGPIDQDFYDCM-JTQLQIEISA-N 1 0 297.359 -1.769 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CCCC1 ZINC001283725642 780857179 /nfs/dbraw/zinc/85/71/79/780857179.db2.gz YOGJQZMYIHXQRC-LBPRGKRZSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCCC1 ZINC001283725640 780857569 /nfs/dbraw/zinc/85/75/69/780857569.db2.gz YOGJQZMYIHXQRC-GFCCVEGCSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)COC ZINC001283722480 780857578 /nfs/dbraw/zinc/85/75/78/780857578.db2.gz HVTGUGBENXOUFJ-SECBINFHSA-N 1 0 257.290 -2.551 20 30 CAEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001283679572 780857785 /nfs/dbraw/zinc/85/77/85/780857785.db2.gz XCQJNROYOYEKTL-ONGXEEELSA-N 1 0 284.360 -1.011 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCn1cncn1 ZINC001283736832 780858551 /nfs/dbraw/zinc/85/85/51/780858551.db2.gz XKMNYHQSVGKSSV-JTQLQIEISA-N 1 0 253.306 -1.079 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001283733030 780858670 /nfs/dbraw/zinc/85/86/70/780858670.db2.gz CJHNYOOYNXXAPK-GXSJLCMTSA-N 1 0 295.343 -1.219 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001283733031 780858861 /nfs/dbraw/zinc/85/88/61/780858861.db2.gz CJHNYOOYNXXAPK-KOLCDFICSA-N 1 0 295.343 -1.219 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001283733961 780858901 /nfs/dbraw/zinc/85/89/01/780858901.db2.gz RPUUZWIIDSEHCV-NEPJUHHUSA-N 1 0 270.329 -1.118 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001283734703 780858913 /nfs/dbraw/zinc/85/89/13/780858913.db2.gz WTGDLTHKTMDMGN-GFCCVEGCSA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001283741586 780858936 /nfs/dbraw/zinc/85/89/36/780858936.db2.gz ANILSOUQHWPBNY-VHSXEESVSA-N 1 0 253.302 -1.788 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CNC(=O)OC ZINC001283733042 780858951 /nfs/dbraw/zinc/85/89/51/780858951.db2.gz CLXJFEJSGNTATN-SECBINFHSA-N 1 0 259.306 -1.015 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001283733962 780859017 /nfs/dbraw/zinc/85/90/17/780859017.db2.gz RPUUZWIIDSEHCV-NWDGAFQWSA-N 1 0 270.329 -1.118 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccon1 ZINC001283735135 780859153 /nfs/dbraw/zinc/85/91/53/780859153.db2.gz RAMGGMYUPXEGGX-VHSXEESVSA-N 1 0 294.311 -1.507 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001283734705 780859230 /nfs/dbraw/zinc/85/92/30/780859230.db2.gz WTGDLTHKTMDMGN-LBPRGKRZSA-N 1 0 280.328 -1.250 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001283733032 780859244 /nfs/dbraw/zinc/85/92/44/780859244.db2.gz CJHNYOOYNXXAPK-MWLCHTKSSA-N 1 0 295.343 -1.219 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001283733033 780859395 /nfs/dbraw/zinc/85/93/95/780859395.db2.gz CJHNYOOYNXXAPK-ONGXEEELSA-N 1 0 295.343 -1.219 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)SC ZINC001283735332 780859477 /nfs/dbraw/zinc/85/94/77/780859477.db2.gz SNVRAQXLYYJQOC-VHSXEESVSA-N 1 0 287.385 -1.446 20 30 CAEDRO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001283745065 780860121 /nfs/dbraw/zinc/86/01/21/780860121.db2.gz OTSFEDURMZNXPO-NSHDSACASA-N 1 0 285.344 -1.771 20 30 CAEDRO CC1CC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001283744681 780860340 /nfs/dbraw/zinc/86/03/40/780860340.db2.gz WTEHPCKYXUVMIG-VQXHTEKXSA-N 1 0 282.344 -1.261 20 30 CAEDRO CC1CC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001283744667 780860435 /nfs/dbraw/zinc/86/04/35/780860435.db2.gz WTEHPCKYXUVMIG-ILDUYXDCSA-N 1 0 282.344 -1.261 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001283743268 780860454 /nfs/dbraw/zinc/86/04/54/780860454.db2.gz FTSDEWGVOKRSND-LBPRGKRZSA-N 1 0 271.361 -1.039 20 30 CAEDRO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001283745064 780860469 /nfs/dbraw/zinc/86/04/69/780860469.db2.gz OTSFEDURMZNXPO-LLVKDONJSA-N 1 0 285.344 -1.771 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001283744852 780860567 /nfs/dbraw/zinc/86/05/67/780860567.db2.gz NWSQSIQESORCFW-VHSXEESVSA-N 1 0 298.343 -1.560 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1=CCOCC1 ZINC001283746752 780861149 /nfs/dbraw/zinc/86/11/49/780861149.db2.gz ZQBPHQAUNVQHDK-LBPRGKRZSA-N 1 0 295.339 -1.851 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCN(C)C1=O ZINC001283747612 780861311 /nfs/dbraw/zinc/86/13/11/780861311.db2.gz WXHGUPTXNMELBN-RYUDHWBXSA-N 1 0 299.371 -1.124 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283747315 780861389 /nfs/dbraw/zinc/86/13/89/780861389.db2.gz VJZIHOZTALGBPM-UWVGGRQHSA-N 1 0 268.317 -1.555 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001283772697 780861884 /nfs/dbraw/zinc/86/18/84/780861884.db2.gz SAHMEOBNKWJOMG-VIFPVBQESA-N 1 0 264.347 -1.326 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC1(C)C ZINC001283746758 780861807 /nfs/dbraw/zinc/86/18/07/780861807.db2.gz ZWZLAXIQTQGBPL-WDEREUQCSA-N 1 0 281.356 -1.151 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001283756086 780862294 /nfs/dbraw/zinc/86/22/94/780862294.db2.gz LBUYZCGLUSXVSI-RYUDHWBXSA-N 1 0 270.329 -1.526 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC1(C)C ZINC001283746757 780862519 /nfs/dbraw/zinc/86/25/19/780862519.db2.gz ZWZLAXIQTQGBPL-QWRGUYRKSA-N 1 0 281.356 -1.151 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283757156 780862863 /nfs/dbraw/zinc/86/28/63/780862863.db2.gz QFQVRBLNXBFKNR-NEPJUHHUSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283757160 780863140 /nfs/dbraw/zinc/86/31/40/780863140.db2.gz QFQVRBLNXBFKNR-RYUDHWBXSA-N 1 0 297.355 -1.676 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CN1CCCNC1=O ZINC001283769890 780863159 /nfs/dbraw/zinc/86/31/59/780863159.db2.gz HKIUBYHJQTUGFC-LLVKDONJSA-N 1 0 282.344 -1.508 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001283759921 780863428 /nfs/dbraw/zinc/86/34/28/780863428.db2.gz ODPQDARBMRNERI-SECBINFHSA-N 1 0 280.332 -1.258 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CN1CCCNC1=O ZINC001283769891 780863546 /nfs/dbraw/zinc/86/35/46/780863546.db2.gz HKIUBYHJQTUGFC-NSHDSACASA-N 1 0 282.344 -1.508 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001283757548 780863717 /nfs/dbraw/zinc/86/37/17/780863717.db2.gz UQDIQIWISKSSTI-SNVBAGLBSA-N 1 0 298.343 -1.832 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CN(C)C(=O)C1CC1 ZINC001283764520 780863771 /nfs/dbraw/zinc/86/37/71/780863771.db2.gz LTRGNQUPNUKTRF-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001283759346 780863921 /nfs/dbraw/zinc/86/39/21/780863921.db2.gz GMGSIDAJCLGULS-JTQLQIEISA-N 1 0 274.342 -1.879 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135231672 781354772 /nfs/dbraw/zinc/35/47/72/781354772.db2.gz KEPANHNJHAOTPY-WDEREUQCSA-N 1 0 294.355 -1.501 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135276690 781356207 /nfs/dbraw/zinc/35/62/07/781356207.db2.gz FWFATOCTTOIZPR-UHFFFAOYSA-N 1 0 251.286 -1.232 20 30 CAEDRO CNC(=O)C1(C(=O)NCC[NH2+]CC#CCOC)CC1 ZINC001135250666 781356798 /nfs/dbraw/zinc/35/67/98/781356798.db2.gz TXSLRQACXOIJCF-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269730 781358138 /nfs/dbraw/zinc/35/81/38/781358138.db2.gz RNWNKPMAFRCZDF-UHFFFAOYSA-N 1 0 283.328 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135282985 781359071 /nfs/dbraw/zinc/35/90/71/781359071.db2.gz DKVNUAXITNUXRT-UHFFFAOYSA-N 1 0 264.289 -2.116 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286795 781359580 /nfs/dbraw/zinc/35/95/80/781359580.db2.gz JLVXOOIKDIWCCC-SECBINFHSA-N 1 0 280.332 -1.175 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cnn(C)n2)C1=O ZINC001135284326 781360174 /nfs/dbraw/zinc/36/01/74/781360174.db2.gz LPLRDFFEVAXLIQ-JTQLQIEISA-N 1 0 292.343 -1.079 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286899 781360646 /nfs/dbraw/zinc/36/06/46/781360646.db2.gz NJCOPFUFJTXVET-VIFPVBQESA-N 1 0 278.316 -1.728 20 30 CAEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135343684 781361284 /nfs/dbraw/zinc/36/12/84/781361284.db2.gz FQGPQBXBGKTXAB-ZJUUUORDSA-N 1 0 255.318 -1.006 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135340174 781362297 /nfs/dbraw/zinc/36/22/97/781362297.db2.gz OWNFQLINLGNHQO-RKDXNWHRSA-N 1 0 270.333 -1.353 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135337099 781363635 /nfs/dbraw/zinc/36/36/35/781363635.db2.gz RYSFMLKLVNVXQD-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO N#C[C@H](Nc1cncc(N2CC[NH2+]CC2)n1)C(N)=O ZINC001159466775 781363719 /nfs/dbraw/zinc/36/37/19/781363719.db2.gz HXSXINDSJNAOFJ-QMMMGPOBSA-N 1 0 261.289 -1.324 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384961 781364370 /nfs/dbraw/zinc/36/43/70/781364370.db2.gz QAZFFLJOGJPPGS-NSHDSACASA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381163 781364748 /nfs/dbraw/zinc/36/47/48/781364748.db2.gz REMRBSQQHRSNGL-SNVBAGLBSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135385172 781364956 /nfs/dbraw/zinc/36/49/56/781364956.db2.gz SUPXOSWVOLNOHD-NSHDSACASA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135387766 781365150 /nfs/dbraw/zinc/36/51/50/781365150.db2.gz WSHYDBPPLIBFRS-SNVBAGLBSA-N 1 0 268.317 -1.904 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135456715 781368487 /nfs/dbraw/zinc/36/84/87/781368487.db2.gz DTQFUAKCUZALBK-UHFFFAOYSA-N 1 0 297.315 -2.454 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135519858 781369946 /nfs/dbraw/zinc/36/99/46/781369946.db2.gz CUBPNFFQSWMQKX-UHFFFAOYSA-N 1 0 295.303 -1.864 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135520108 781370450 /nfs/dbraw/zinc/37/04/50/781370450.db2.gz FREHMPRWFBJMMV-UHFFFAOYSA-N 1 0 250.262 -2.127 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2nnc[nH]2)C1=O ZINC001135523262 781370992 /nfs/dbraw/zinc/37/09/92/781370992.db2.gz DPPHBRBDUZSXIU-SECBINFHSA-N 1 0 278.316 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135516986 781372370 /nfs/dbraw/zinc/37/23/70/781372370.db2.gz WZKKXNGZPMBDNP-UHFFFAOYSA-N 1 0 252.278 -1.574 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135529322 781373686 /nfs/dbraw/zinc/37/36/86/781373686.db2.gz OGRJEXNQFZQFQG-QMMMGPOBSA-N 1 0 264.289 -1.738 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccncn1 ZINC001135542880 781374059 /nfs/dbraw/zinc/37/40/59/781374059.db2.gz YGCRNLAJNOVIBA-UHFFFAOYSA-N 1 0 262.273 -1.564 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135529321 781374118 /nfs/dbraw/zinc/37/41/18/781374118.db2.gz OGRJEXNQFZQFQG-MRVPVSSYSA-N 1 0 264.289 -1.738 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnon1 ZINC001135562513 781375892 /nfs/dbraw/zinc/37/58/92/781375892.db2.gz INBQNGBBIWEOKQ-UHFFFAOYSA-N 1 0 251.246 -1.862 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1ncccn1 ZINC001135573649 781376283 /nfs/dbraw/zinc/37/62/83/781376283.db2.gz MQTUETWVSSPJIA-UHFFFAOYSA-N 1 0 290.327 -1.245 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnon1 ZINC001135573748 781376684 /nfs/dbraw/zinc/37/66/84/781376684.db2.gz QZUCNXKSCNAOFO-UHFFFAOYSA-N 1 0 252.234 -1.971 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ncccn1 ZINC001135602266 781377555 /nfs/dbraw/zinc/37/75/55/781377555.db2.gz HRPJDZFOKMOGMY-UHFFFAOYSA-N 1 0 262.273 -1.564 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ncccn1 ZINC001135608873 781378484 /nfs/dbraw/zinc/37/84/84/781378484.db2.gz HGVLSPCALYIETF-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677591 781380017 /nfs/dbraw/zinc/38/00/17/781380017.db2.gz PPMWEXXZIMNRDX-UHFFFAOYSA-N 1 0 279.304 -2.482 20 30 CAEDRO C[C@H](C[C@H](C)NC(=O)c1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001135705839 781381154 /nfs/dbraw/zinc/38/11/54/781381154.db2.gz JWLDRCIQTQNWAM-BDAKNGLRSA-N 1 0 293.331 -1.069 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702704 781381922 /nfs/dbraw/zinc/38/19/22/781381922.db2.gz NZCZHYAKGJZDNM-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nnc[nH]1 ZINC001135705840 781382048 /nfs/dbraw/zinc/38/20/48/781382048.db2.gz JWLDRCIQTQNWAM-DTWKUNHWSA-N 1 0 293.331 -1.069 20 30 CAEDRO C[C@@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCOC1 ZINC001135776189 781383621 /nfs/dbraw/zinc/38/36/21/781383621.db2.gz BJQCBMQXUTVYHU-GFCCVEGCSA-N 1 0 268.317 -1.241 20 30 CAEDRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCOC1 ZINC001135776190 781384273 /nfs/dbraw/zinc/38/42/73/781384273.db2.gz BJQCBMQXUTVYHU-LBPRGKRZSA-N 1 0 268.317 -1.241 20 30 CAEDRO C[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135780940 781384356 /nfs/dbraw/zinc/38/43/56/781384356.db2.gz KPBMQVUJKPATPJ-UWVGGRQHSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCOC1 ZINC001135781549 781384469 /nfs/dbraw/zinc/38/44/69/781384469.db2.gz PYDYFVQZHFWXMR-CYBMUJFWSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCO[C@@H]1C ZINC001135783637 781385974 /nfs/dbraw/zinc/38/59/74/781385974.db2.gz SFMQKZFZRIQFJU-MNOVXSKESA-N 1 0 267.329 -1.133 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135900327 781387445 /nfs/dbraw/zinc/38/74/45/781387445.db2.gz IFINAPMJERADNP-UHFFFAOYSA-N 1 0 282.344 -1.479 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135913627 781389910 /nfs/dbraw/zinc/38/99/10/781389910.db2.gz FMCFFJCQGUKFAR-SNVBAGLBSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135910835 781390499 /nfs/dbraw/zinc/39/04/99/781390499.db2.gz NQFLAMJIJUXHED-JTQLQIEISA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001136001689 781390778 /nfs/dbraw/zinc/39/07/78/781390778.db2.gz UHKNZYFZFSYWRE-SNVBAGLBSA-N 1 0 292.343 -1.245 20 30 CAEDRO CC(C)n1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001135981719 781391600 /nfs/dbraw/zinc/39/16/00/781391600.db2.gz YHHGVMDJQGYQIB-UHFFFAOYSA-N 1 0 293.331 -1.182 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1coc(COC)n1 ZINC001136030831 781392689 /nfs/dbraw/zinc/39/26/89/781392689.db2.gz SWURCHGESUMPIN-UHFFFAOYSA-N 1 0 294.311 -1.110 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090526938 781394913 /nfs/dbraw/zinc/39/49/13/781394913.db2.gz VSINCOSWDBQJAU-JQWIXIFHSA-N 1 0 290.323 -1.042 20 30 CAEDRO C#CCOC[C@@H](O)CN[C@@H](CCC[NH3+])C(=O)OC ZINC001246010182 781397930 /nfs/dbraw/zinc/39/79/30/781397930.db2.gz YAZBWXZAXYFFIC-QWRGUYRKSA-N 1 0 258.318 -1.133 20 30 CAEDRO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090635131 781414548 /nfs/dbraw/zinc/41/45/48/781414548.db2.gz ZWRVLIKLYRZYFB-CMPLNLGQSA-N 1 0 295.343 -1.379 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090635133 781415171 /nfs/dbraw/zinc/41/51/71/781415171.db2.gz ZWRVLIKLYRZYFB-PWSUYJOCSA-N 1 0 295.343 -1.379 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001090641199 781415434 /nfs/dbraw/zinc/41/54/34/781415434.db2.gz ODWYTRMOPDOOCD-MNOVXSKESA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090654088 781416723 /nfs/dbraw/zinc/41/67/23/781416723.db2.gz FMDYIPFZSBLDKF-NXEZZACHSA-N 1 0 294.311 -2.277 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090654090 781417100 /nfs/dbraw/zinc/41/71/00/781417100.db2.gz FMDYIPFZSBLDKF-VHSXEESVSA-N 1 0 294.311 -2.277 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001090657499 781418418 /nfs/dbraw/zinc/41/84/18/781418418.db2.gz CMUUTUMYOVTZHC-NXEZZACHSA-N 1 0 263.301 -1.007 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090654184 781418727 /nfs/dbraw/zinc/41/87/27/781418727.db2.gz GAELHIFHOJRVFG-ZJUUUORDSA-N 1 0 296.327 -1.724 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001090657502 781419306 /nfs/dbraw/zinc/41/93/06/781419306.db2.gz CMUUTUMYOVTZHC-ZJUUUORDSA-N 1 0 263.301 -1.007 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708559 781425193 /nfs/dbraw/zinc/42/51/93/781425193.db2.gz VDEFVASBJBHUMR-GHMZBOCLSA-N 1 0 277.328 -1.078 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090789822 781431082 /nfs/dbraw/zinc/43/10/82/781431082.db2.gz JGKTYUCPZNFBFJ-RYUDHWBXSA-N 1 0 277.328 -1.147 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090789821 781431366 /nfs/dbraw/zinc/43/13/66/781431366.db2.gz JGKTYUCPZNFBFJ-NWDGAFQWSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090795846 781433971 /nfs/dbraw/zinc/43/39/71/781433971.db2.gz ZQJNKKASJGPGKG-UWVGGRQHSA-N 1 0 296.327 -1.724 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 ZINC001090797161 781434164 /nfs/dbraw/zinc/43/41/64/781434164.db2.gz VAFOVKXLCVXTLO-WDEREUQCSA-N 1 0 295.339 -1.127 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090795847 781434291 /nfs/dbraw/zinc/43/42/91/781434291.db2.gz ZQJNKKASJGPGKG-VHSXEESVSA-N 1 0 296.327 -1.724 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080608 781436977 /nfs/dbraw/zinc/43/69/77/781436977.db2.gz XMYBMJRPBASRAC-UHFFFAOYSA-N 1 0 274.284 -1.240 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCNC1=O ZINC001160433245 781438756 /nfs/dbraw/zinc/43/87/56/781438756.db2.gz KBPGZRLOUQTNRK-NSHDSACASA-N 1 0 294.355 -1.642 20 30 CAEDRO CC(=O)N[C@@H](CS)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001144399240 781452402 /nfs/dbraw/zinc/45/24/02/781452402.db2.gz IMGAVLYGYVYFEA-ZETCQYMHSA-N 1 0 283.375 -1.832 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001091211044 781464633 /nfs/dbraw/zinc/46/46/33/781464633.db2.gz FLXNEGRMUONMMO-RTBKNWGFSA-N 1 0 250.302 -1.215 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cncn1C ZINC001171236746 781465501 /nfs/dbraw/zinc/46/55/01/781465501.db2.gz AEFMQIXRWQAAQF-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001091370565 781477076 /nfs/dbraw/zinc/47/70/76/781477076.db2.gz ZXPHISXTBAXOFL-ILDUYXDCSA-N 1 0 285.369 -1.204 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CCO1 ZINC001160878177 781480822 /nfs/dbraw/zinc/48/08/22/781480822.db2.gz HHZASHXNUSINIP-RKDXNWHRSA-N 1 0 269.305 -1.487 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146183186 781481974 /nfs/dbraw/zinc/48/19/74/781481974.db2.gz HELFQOVBLNYVEP-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146500836 781485677 /nfs/dbraw/zinc/48/56/77/781485677.db2.gz VGFXBHUZMLDQJR-UHFFFAOYSA-N 1 0 291.311 -1.446 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146661330 781489208 /nfs/dbraw/zinc/48/92/08/781489208.db2.gz UUKMNBBCGVPMKO-UHFFFAOYSA-N 1 0 266.301 -1.344 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1cnccn1 ZINC001146727031 781490280 /nfs/dbraw/zinc/49/02/80/781490280.db2.gz AYYMBRHANGXSSQ-UHFFFAOYSA-N 1 0 290.327 -1.245 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146637343 781490675 /nfs/dbraw/zinc/49/06/75/781490675.db2.gz QRJMGJGJCWOHMD-UWVGGRQHSA-N 1 0 292.343 -1.117 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146637347 781491030 /nfs/dbraw/zinc/49/10/30/781491030.db2.gz QRJMGJGJCWOHMD-VHSXEESVSA-N 1 0 292.343 -1.117 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146868516 781492159 /nfs/dbraw/zinc/49/21/59/781492159.db2.gz DASNZOZPNWYDDY-UHFFFAOYSA-N 1 0 254.290 -1.180 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879178 781494226 /nfs/dbraw/zinc/49/42/26/781494226.db2.gz UIVVHYZYRCCQHS-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO COCC#CC[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146999953 781496870 /nfs/dbraw/zinc/49/68/70/781496870.db2.gz RYHYFQAUHPKZDD-UHFFFAOYSA-N 1 0 294.355 -1.161 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NCC1CC1 ZINC001147084870 781498632 /nfs/dbraw/zinc/49/86/32/781498632.db2.gz PXODXBRNODXENO-UHFFFAOYSA-N 1 0 295.343 -1.752 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NCC1CC1 ZINC001147081240 781500050 /nfs/dbraw/zinc/50/00/50/781500050.db2.gz XAKFGEAPABHYRR-UHFFFAOYSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147167368 781502376 /nfs/dbraw/zinc/50/23/76/781502376.db2.gz HIKUKGRKDBQWEH-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147300944 781503959 /nfs/dbraw/zinc/50/39/59/781503959.db2.gz FSQIDEOHWRSBFS-UHFFFAOYSA-N 1 0 294.355 -1.690 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147301055 781504297 /nfs/dbraw/zinc/50/42/97/781504297.db2.gz LNHMTJKNTFASHO-UHFFFAOYSA-N 1 0 296.371 -1.137 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271521 781505618 /nfs/dbraw/zinc/50/56/18/781505618.db2.gz HNUFUJKAUMSXKK-SECBINFHSA-N 1 0 280.332 -1.256 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364569 781509246 /nfs/dbraw/zinc/50/92/46/781509246.db2.gz ZWVCLKGRQIEHJL-SECBINFHSA-N 1 0 279.304 -2.483 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364326 781509401 /nfs/dbraw/zinc/50/94/01/781509401.db2.gz QXSJORKOGSZBES-SNVBAGLBSA-N 1 0 295.347 -1.540 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147644690 781515880 /nfs/dbraw/zinc/51/58/80/781515880.db2.gz LJFYXHSWNBXGFQ-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147671523 781516670 /nfs/dbraw/zinc/51/66/70/781516670.db2.gz NPSLVEWTQZWUQN-UHFFFAOYSA-N 1 0 254.290 -1.228 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147650819 781518892 /nfs/dbraw/zinc/51/88/92/781518892.db2.gz PSMGZQMLDJJPAK-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cncn1C ZINC001147871518 781524569 /nfs/dbraw/zinc/52/45/69/781524569.db2.gz ACUXHPAKQVAJQM-UHFFFAOYSA-N 1 0 277.328 -1.582 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCC(=O)NCC ZINC001148185043 781528591 /nfs/dbraw/zinc/52/85/91/781528591.db2.gz YWEKNRLIIIQUDL-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181272 781528708 /nfs/dbraw/zinc/52/87/08/781528708.db2.gz LGCHVLKFBSRZSS-JTQLQIEISA-N 1 0 294.355 -1.303 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181273 781528825 /nfs/dbraw/zinc/52/88/25/781528825.db2.gz LGCHVLKFBSRZSS-SNVBAGLBSA-N 1 0 294.355 -1.303 20 30 CAEDRO CN(C)C(=O)CCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148202584 781530769 /nfs/dbraw/zinc/53/07/69/781530769.db2.gz GGEYFNJGHPDDMZ-UHFFFAOYSA-N 1 0 297.359 -1.410 20 30 CAEDRO Cn1cccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1=O ZINC001148288888 781530994 /nfs/dbraw/zinc/53/09/94/781530994.db2.gz GOAOSYWUZLZPPK-UHFFFAOYSA-N 1 0 291.311 -1.656 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148431446 781533727 /nfs/dbraw/zinc/53/37/27/781533727.db2.gz DJKTZAGRFKOPKR-UWVGGRQHSA-N 1 0 282.344 -1.339 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148427276 781533841 /nfs/dbraw/zinc/53/38/41/781533841.db2.gz MWWAHDCDQDNGMZ-ZJUUUORDSA-N 1 0 280.328 -1.891 20 30 CAEDRO CC(=O)N[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C(C)C ZINC001148466293 781535443 /nfs/dbraw/zinc/53/54/43/781535443.db2.gz VPSVKUPYXANHMQ-GFCCVEGCSA-N 1 0 297.359 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417725 781535485 /nfs/dbraw/zinc/53/54/85/781535485.db2.gz ICMIQLQZVQOPCF-VIFPVBQESA-N 1 0 266.301 -2.280 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148422618 781535721 /nfs/dbraw/zinc/53/57/21/781535721.db2.gz LFBHPTGOOALLKA-WDEREUQCSA-N 1 0 294.355 -1.242 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418182 781535779 /nfs/dbraw/zinc/53/57/79/781535779.db2.gz VYDYAWSXQOHGMC-VIFPVBQESA-N 1 0 268.317 -1.727 20 30 CAEDRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001148599023 781536392 /nfs/dbraw/zinc/53/63/92/781536392.db2.gz LFOKXSVOSCQJLQ-UHFFFAOYSA-N 1 0 295.343 -1.752 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(C(=O)NC)CCC1 ZINC001148599800 781537170 /nfs/dbraw/zinc/53/71/70/781537170.db2.gz YRMLSGRQBITNDH-UHFFFAOYSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149455114 781537328 /nfs/dbraw/zinc/53/73/28/781537328.db2.gz DYUJRYJMMDJSBS-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001148784923 781538998 /nfs/dbraw/zinc/53/89/98/781538998.db2.gz ZXHVZKUWAQQWCX-UHFFFAOYSA-N 1 0 285.369 -1.297 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)[C@H](C)C1 ZINC001092928006 781549850 /nfs/dbraw/zinc/54/98/50/781549850.db2.gz HMVVHBHYVMCERM-MXWKQRLJSA-N 1 0 264.329 -1.015 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001098351428 781550060 /nfs/dbraw/zinc/55/00/60/781550060.db2.gz PRVORNXIFLMWKI-NSHDSACASA-N 1 0 296.371 -1.038 20 30 CAEDRO O=C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172220065 781576394 /nfs/dbraw/zinc/57/63/94/781576394.db2.gz ZMKGIEOVOIRJHE-HFUOMJJMSA-N 1 0 289.328 -2.072 20 30 CAEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172488696 781577207 /nfs/dbraw/zinc/57/72/07/781577207.db2.gz MTCBHVVQXXSASK-OJEYFTNHSA-N 1 0 274.317 -1.542 20 30 CAEDRO C[C@H](CCCC#N)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172483901 781577343 /nfs/dbraw/zinc/57/73/43/781577343.db2.gz WAYPKFADKLKUJP-IYKVGLELSA-N 1 0 274.317 -1.699 20 30 CAEDRO CCOCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172412353 781577370 /nfs/dbraw/zinc/57/73/70/781577370.db2.gz WPCYYFPYQYNITR-IYKVGLELSA-N 1 0 279.333 -1.966 20 30 CAEDRO CC(C)OCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172447637 781577397 /nfs/dbraw/zinc/57/73/97/781577397.db2.gz JEPNCVAPQXAGSV-KIJLLGNVSA-N 1 0 293.360 -1.578 20 30 CAEDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001172918771 781577920 /nfs/dbraw/zinc/57/79/20/781577920.db2.gz MRJWMUPNZDYHAH-OJEZURLMSA-N 1 0 291.344 -1.824 20 30 CAEDRO C[C@@H](CCCC#N)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001172493176 781578043 /nfs/dbraw/zinc/57/80/43/781578043.db2.gz YHAOUCCBGZGGPD-VIFPVBQESA-N 1 0 283.332 -1.624 20 30 CAEDRO CC[C@@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173268605 781578787 /nfs/dbraw/zinc/57/87/87/781578787.db2.gz YWQDEPPCOZXBLY-KISRQWFGSA-N 1 0 275.345 -1.203 20 30 CAEDRO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173268607 781578893 /nfs/dbraw/zinc/57/88/93/781578893.db2.gz YWQDEPPCOZXBLY-OJEZURLMSA-N 1 0 275.345 -1.203 20 30 CAEDRO C#CC1(O)CC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)CC1 ZINC001174883006 781584694 /nfs/dbraw/zinc/58/46/94/781584694.db2.gz JKICUUGMHRAHNF-UHFFFAOYSA-N 1 0 288.311 -1.040 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCNC(N)=O)C1=O ZINC001150423538 781586013 /nfs/dbraw/zinc/58/60/13/781586013.db2.gz JLJCTDHAGMGTSM-SNVBAGLBSA-N 1 0 297.359 -1.463 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCNC(N)=O)C1=O ZINC001150423537 781586399 /nfs/dbraw/zinc/58/63/99/781586399.db2.gz JLJCTDHAGMGTSM-JTQLQIEISA-N 1 0 297.359 -1.463 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150474017 781588971 /nfs/dbraw/zinc/58/89/71/781588971.db2.gz ZBAAXVYOMQMKDS-UHFFFAOYSA-N 1 0 295.299 -2.519 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150466085 781589066 /nfs/dbraw/zinc/58/90/66/781589066.db2.gz FQXPFGVNSGGQRV-UHFFFAOYSA-N 1 0 251.286 -1.136 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175033300 781589509 /nfs/dbraw/zinc/58/95/09/781589509.db2.gz MJOMDVDFUWPXKH-WDEREUQCSA-N 1 0 296.371 -1.126 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cncn1 ZINC001175483328 781592234 /nfs/dbraw/zinc/59/22/34/781592234.db2.gz LDGSNUVNTBKEKI-LLVKDONJSA-N 1 0 292.343 -1.488 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001175556652 781592578 /nfs/dbraw/zinc/59/25/78/781592578.db2.gz HCKNZHURHFATLV-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001175557148 781592612 /nfs/dbraw/zinc/59/26/12/781592612.db2.gz OFZJXOANDGIPIJ-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001175575297 781593240 /nfs/dbraw/zinc/59/32/40/781593240.db2.gz OHEVFJRHOFOCER-SECBINFHSA-N 1 0 266.301 -1.296 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175567789 781593725 /nfs/dbraw/zinc/59/37/25/781593725.db2.gz SBFJMRCACKAJQW-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175634853 781594672 /nfs/dbraw/zinc/59/46/72/781594672.db2.gz FQBZKBKGAQKVNS-SNVBAGLBSA-N 1 0 297.359 -1.721 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001176004067 781595861 /nfs/dbraw/zinc/59/58/61/781595861.db2.gz MJTOAFDALOEXNE-UHFFFAOYSA-N 1 0 264.285 -1.171 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001176027165 781597618 /nfs/dbraw/zinc/59/76/18/781597618.db2.gz VVPRIHXQWJFGSW-UHFFFAOYSA-N 1 0 289.401 -1.001 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176287876 781599292 /nfs/dbraw/zinc/59/92/92/781599292.db2.gz DGBUJEBIGPVYDW-SNVBAGLBSA-N 1 0 273.358 -1.203 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176287221 781599179 /nfs/dbraw/zinc/59/91/79/781599179.db2.gz AQODAXUJFFXICB-JTQLQIEISA-N 1 0 273.358 -1.203 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176276961 781599217 /nfs/dbraw/zinc/59/92/17/781599217.db2.gz GBSWBLBYEJEEBT-SECBINFHSA-N 1 0 259.331 -1.593 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CNC(=O)Cn1cncn1 ZINC001176894097 781607923 /nfs/dbraw/zinc/60/79/23/781607923.db2.gz MADXFEBNNLHQDL-UHFFFAOYSA-N 1 0 280.332 -1.324 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CNC(=O)Cn1cncn1 ZINC001176902552 781611340 /nfs/dbraw/zinc/61/13/40/781611340.db2.gz OMTPZNBJLPYSEY-UHFFFAOYSA-N 1 0 292.343 -1.487 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956435 781612862 /nfs/dbraw/zinc/61/28/62/781612862.db2.gz YFJHATGOBSCTHQ-UHFFFAOYSA-N 1 0 264.289 -1.894 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCCC[NH2+]CC(N)=O ZINC001176967150 781612935 /nfs/dbraw/zinc/61/29/35/781612935.db2.gz ZENOPMVRLWLBCZ-UHFFFAOYSA-N 1 0 299.375 -1.169 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001177269380 781617536 /nfs/dbraw/zinc/61/75/36/781617536.db2.gz KYIFSBZNSNNOFI-VIFPVBQESA-N 1 0 286.332 -1.132 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001177269378 781617771 /nfs/dbraw/zinc/61/77/71/781617771.db2.gz KYIFSBZNSNNOFI-SECBINFHSA-N 1 0 286.332 -1.132 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177400415 781619767 /nfs/dbraw/zinc/61/97/67/781619767.db2.gz IDQWPBUPVNXXTR-NSHDSACASA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177390221 781619783 /nfs/dbraw/zinc/61/97/83/781619783.db2.gz GLTWJNRPMXFBIJ-UHFFFAOYSA-N 1 0 282.344 -1.513 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177595588 781623686 /nfs/dbraw/zinc/62/36/86/781623686.db2.gz CZBGLTQSOWDYRG-SECBINFHSA-N 1 0 251.286 -1.232 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177595589 781623858 /nfs/dbraw/zinc/62/38/58/781623858.db2.gz CZBGLTQSOWDYRG-VIFPVBQESA-N 1 0 251.286 -1.232 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COC)[C@H]1C ZINC001177973228 781627507 /nfs/dbraw/zinc/62/75/07/781627507.db2.gz NIWFEYRTUHQCER-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395443 781634761 /nfs/dbraw/zinc/63/47/61/781634761.db2.gz HWHHQYNAUVYIDJ-DCAQKATOSA-N 1 0 294.355 -1.421 20 30 CAEDRO CNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178541505 781636703 /nfs/dbraw/zinc/63/67/03/781636703.db2.gz OFWPHBCXGPYWEZ-UWVGGRQHSA-N 1 0 295.343 -1.659 20 30 CAEDRO Cc1n[nH]c(C)c1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001150817384 781637201 /nfs/dbraw/zinc/63/72/01/781637201.db2.gz SBRAKEFIOHUNID-UHFFFAOYSA-N 1 0 292.343 -1.085 20 30 CAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn[nH]n1 ZINC001179049938 781643106 /nfs/dbraw/zinc/64/31/06/781643106.db2.gz KMWPRACWIHBHPZ-IUCAKERBSA-N 1 0 291.315 -1.363 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001179010326 781643870 /nfs/dbraw/zinc/64/38/70/781643870.db2.gz YFWYGAGYPWBCFX-JQWIXIFHSA-N 1 0 294.355 -1.549 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179239283 781646228 /nfs/dbraw/zinc/64/62/28/781646228.db2.gz ZVNFWRWXYTTXEB-UWVGGRQHSA-N 1 0 290.389 -1.195 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179238894 781646251 /nfs/dbraw/zinc/64/62/51/781646251.db2.gz FPQBIPARAFNBTH-UWVGGRQHSA-N 1 0 288.373 -1.748 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179467480 781649350 /nfs/dbraw/zinc/64/93/50/781649350.db2.gz LLEOGZRLTFFYET-IUCAKERBSA-N 1 0 268.317 -1.647 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179447202 781649413 /nfs/dbraw/zinc/64/94/13/781649413.db2.gz WTLUSUVRVSFRLZ-UHFFFAOYSA-N 1 0 283.332 -1.622 20 30 CAEDRO C#CCC[C@H](O)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001179489489 781649509 /nfs/dbraw/zinc/64/95/09/781649509.db2.gz PYUOCKCCOFNWIK-JTQLQIEISA-N 1 0 251.290 -1.373 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452744 781649812 /nfs/dbraw/zinc/64/98/12/781649812.db2.gz YVKWZEJBDJVOMK-GUBZILKMSA-N 1 0 280.328 -1.811 20 30 CAEDRO COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180570605 781669844 /nfs/dbraw/zinc/66/98/44/781669844.db2.gz NEZSHKXYKNSCJJ-SECBINFHSA-N 1 0 254.290 -1.537 20 30 CAEDRO COCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180593615 781669893 /nfs/dbraw/zinc/66/98/93/781669893.db2.gz QWDLGDHLEGANIC-SNVBAGLBSA-N 1 0 268.317 -1.147 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180722463 781677135 /nfs/dbraw/zinc/67/71/35/781677135.db2.gz DHHOSJUZCCELSY-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180827412 781677737 /nfs/dbraw/zinc/67/77/37/781677737.db2.gz CVVXNAWFWSZKEF-MWLCHTKSSA-N 1 0 295.343 -1.659 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001180828246 781678505 /nfs/dbraw/zinc/67/85/05/781678505.db2.gz KIBIFARHQAVZBM-ZYHUDNBSSA-N 1 0 294.355 -1.549 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001180767557 781678657 /nfs/dbraw/zinc/67/86/57/781678657.db2.gz YCIZVHIJRFRTAF-SNVBAGLBSA-N 1 0 294.311 -1.295 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855330 781680932 /nfs/dbraw/zinc/68/09/32/781680932.db2.gz OCYUUNUWFDANPP-SECBINFHSA-N 1 0 292.303 -2.497 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180905511 781680971 /nfs/dbraw/zinc/68/09/71/781680971.db2.gz FLQYIZHEIKBTQI-SNVBAGLBSA-N 1 0 268.317 -1.505 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001180878612 781681624 /nfs/dbraw/zinc/68/16/24/781681624.db2.gz GCGKTLLIIGQBIU-GFCCVEGCSA-N 1 0 289.339 -1.026 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180913819 781682593 /nfs/dbraw/zinc/68/25/93/781682593.db2.gz MHFQJAYUPUGHDV-NXEZZACHSA-N 1 0 295.343 -2.017 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180913838 781683006 /nfs/dbraw/zinc/68/30/06/781683006.db2.gz MIRZZLQKADOTJK-VHSXEESVSA-N 1 0 297.359 -1.464 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181074440 781686438 /nfs/dbraw/zinc/68/64/38/781686438.db2.gz ASXIJHOKFQRIPI-VXGBXAGGSA-N 1 0 295.339 -1.658 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181076908 781686547 /nfs/dbraw/zinc/68/65/47/781686547.db2.gz VNDJDCOOBJVPDI-GHMZBOCLSA-N 1 0 296.327 -1.768 20 30 CAEDRO CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181124930 781686608 /nfs/dbraw/zinc/68/66/08/781686608.db2.gz YTZOIBUVEZBSHA-LLVKDONJSA-N 1 0 295.343 -1.705 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181124913 781686865 /nfs/dbraw/zinc/68/68/65/781686865.db2.gz YGMOWXJQEQBKPK-GFCCVEGCSA-N 1 0 296.371 -1.043 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181082632 781686960 /nfs/dbraw/zinc/68/69/60/781686960.db2.gz XGXNIYHRBAUAFF-SNVBAGLBSA-N 1 0 275.312 -1.037 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001181076915 781686999 /nfs/dbraw/zinc/68/69/99/781686999.db2.gz VNDJDCOOBJVPDI-MNOVXSKESA-N 1 0 296.327 -1.768 20 30 CAEDRO COC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181251495 781690779 /nfs/dbraw/zinc/69/07/79/781690779.db2.gz UCVITKGZBNVXDB-SECBINFHSA-N 1 0 297.315 -1.827 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181600208 781696460 /nfs/dbraw/zinc/69/64/60/781696460.db2.gz WYFAVEIVTPBGCA-GHMZBOCLSA-N 1 0 292.339 -1.795 20 30 CAEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181617827 781696667 /nfs/dbraw/zinc/69/66/67/781696667.db2.gz HKAOMGPETDQTIB-SECBINFHSA-N 1 0 284.316 -1.426 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001181652715 781697698 /nfs/dbraw/zinc/69/76/98/781697698.db2.gz OWVROUXMNPXCFD-RKDXNWHRSA-N 1 0 281.316 -1.208 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001181673767 781698034 /nfs/dbraw/zinc/69/80/34/781698034.db2.gz JATBOBXNZIAERC-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001181698375 781698620 /nfs/dbraw/zinc/69/86/20/781698620.db2.gz HJQTZILAMZPBII-NXEZZACHSA-N 1 0 288.373 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001181779156 781700191 /nfs/dbraw/zinc/70/01/91/781700191.db2.gz HSIAITWNEYVHDC-GFCCVEGCSA-N 1 0 289.339 -1.108 20 30 CAEDRO CNC(=O)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001182172739 781710306 /nfs/dbraw/zinc/71/03/06/781710306.db2.gz DPDRABBIAUJDCK-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001182145322 781712007 /nfs/dbraw/zinc/71/20/07/781712007.db2.gz MGSPXJRXLDZVGG-LLVKDONJSA-N 1 0 267.329 -1.301 20 30 CAEDRO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182164255 781713468 /nfs/dbraw/zinc/71/34/68/781713468.db2.gz RGYQHLONXGFPBQ-DTWKUNHWSA-N 1 0 296.331 -2.127 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302951 781716658 /nfs/dbraw/zinc/71/66/58/781716658.db2.gz NONWULCCWFQLQG-SNVBAGLBSA-N 1 0 290.327 -1.631 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182251078 781716734 /nfs/dbraw/zinc/71/67/34/781716734.db2.gz XFMRNXKVEOLBSF-SNVBAGLBSA-N 1 0 290.327 -1.631 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266657 781716864 /nfs/dbraw/zinc/71/68/64/781716864.db2.gz DVAKIXXMYHNGOD-MNOVXSKESA-N 1 0 281.312 -1.065 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001182353146 781719215 /nfs/dbraw/zinc/71/92/15/781719215.db2.gz XKVKGXRZDNEBBN-SECBINFHSA-N 1 0 276.300 -1.146 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182446518 781723208 /nfs/dbraw/zinc/72/32/08/781723208.db2.gz INUUOZIFKNZGQM-QMTHXVAHSA-N 1 0 294.355 -1.705 20 30 CAEDRO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001182456764 781723269 /nfs/dbraw/zinc/72/32/69/781723269.db2.gz PVSFCFHXCYHMBG-NOZJJQNGSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OCC#C)C1 ZINC001182504392 781723961 /nfs/dbraw/zinc/72/39/61/781723961.db2.gz BDNNTCVRDURHSS-CHWSQXEVSA-N 1 0 291.351 -1.035 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001182496398 781724329 /nfs/dbraw/zinc/72/43/29/781724329.db2.gz KBSGTEVKCNOUSH-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182504735 781724337 /nfs/dbraw/zinc/72/43/37/781724337.db2.gz IRUFYKNWQHQFLA-VHSXEESVSA-N 1 0 296.327 -1.590 20 30 CAEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182488856 781724508 /nfs/dbraw/zinc/72/45/08/781724508.db2.gz BGGGPQMMQQXJMZ-GFCCVEGCSA-N 1 0 292.339 -1.143 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623240 781724532 /nfs/dbraw/zinc/72/45/32/781724532.db2.gz HZFDQYQXDGOWHX-SNVBAGLBSA-N 1 0 293.331 -1.834 20 30 CAEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001182489230 781725040 /nfs/dbraw/zinc/72/50/40/781725040.db2.gz INJSAIPLNILIAU-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692970 781726262 /nfs/dbraw/zinc/72/62/62/781726262.db2.gz PXLRCSXCDKSIRF-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001182803808 781727043 /nfs/dbraw/zinc/72/70/43/781727043.db2.gz WYGDANOCHZLHBD-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCNC(=O)COC)C1 ZINC001183024037 781736435 /nfs/dbraw/zinc/73/64/35/781736435.db2.gz FIFAKOZIRKMOJP-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C=C(C[NH+]1CCCC1)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001183091453 781737609 /nfs/dbraw/zinc/73/76/09/781737609.db2.gz GRCZGHSDMWTEAC-SRVKXCTJSA-N 1 0 280.376 -1.843 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306245 781738035 /nfs/dbraw/zinc/73/80/35/781738035.db2.gz CQDXHFKUUZKABS-VIFPVBQESA-N 1 0 261.347 -1.040 20 30 CAEDRO C=C(C[NH+]1CCCC1)C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001183091455 781738924 /nfs/dbraw/zinc/73/89/24/781738924.db2.gz GRCZGHSDMWTEAC-WOPDTQHZSA-N 1 0 280.376 -1.843 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344703 781743219 /nfs/dbraw/zinc/74/32/19/781743219.db2.gz APVKANSAHNCWPY-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001183782060 781758456 /nfs/dbraw/zinc/75/84/56/781758456.db2.gz GBYLQWXOIMQVJJ-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC[C@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001151366089 781759843 /nfs/dbraw/zinc/75/98/43/781759843.db2.gz HSONTTBOIFHYJN-JTQLQIEISA-N 1 0 297.359 -1.506 20 30 CAEDRO Cn1cncc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183993095 781760569 /nfs/dbraw/zinc/76/05/69/781760569.db2.gz QPUZEVBPVFTFMV-SNVBAGLBSA-N 1 0 290.327 -1.136 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373841 781761116 /nfs/dbraw/zinc/76/11/16/781761116.db2.gz ZTDZNKSSDQYSBA-UHFFFAOYSA-N 1 0 292.361 -2.456 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814988 781770586 /nfs/dbraw/zinc/77/05/86/781770586.db2.gz HRKZMQIUQCIBSB-GFCCVEGCSA-N 1 0 278.356 -1.368 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858506 781771200 /nfs/dbraw/zinc/77/12/00/781771200.db2.gz NEPZCHGUDACTIE-NEPJUHHUSA-N 1 0 279.340 -1.037 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184857906 781771471 /nfs/dbraw/zinc/77/14/71/781771471.db2.gz BFPYEEPVZPRJRT-GHMZBOCLSA-N 1 0 294.355 -1.385 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858507 781771526 /nfs/dbraw/zinc/77/15/26/781771526.db2.gz NEPZCHGUDACTIE-VXGBXAGGSA-N 1 0 279.340 -1.037 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184843065 781771696 /nfs/dbraw/zinc/77/16/96/781771696.db2.gz XUZGWZDTLBMIRZ-VXGBXAGGSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184868556 781772035 /nfs/dbraw/zinc/77/20/35/781772035.db2.gz XCQJCWBBYZEAGL-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184840485 781772132 /nfs/dbraw/zinc/77/21/32/781772132.db2.gz CJHXOBJFLKXMDQ-NXEZZACHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185039586 781772977 /nfs/dbraw/zinc/77/29/77/781772977.db2.gz CZOLUVBLMCNKDL-QWRGUYRKSA-N 1 0 296.371 -1.152 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040642 781773018 /nfs/dbraw/zinc/77/30/18/781773018.db2.gz PUVBZTNVQTVASF-QWRGUYRKSA-N 1 0 294.355 -1.705 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001185006852 781773181 /nfs/dbraw/zinc/77/31/81/781773181.db2.gz IIRNJGAUHBLPBM-DCQANWLSSA-N 1 0 292.339 -1.291 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185039585 781773253 /nfs/dbraw/zinc/77/32/53/781773253.db2.gz CZOLUVBLMCNKDL-MNOVXSKESA-N 1 0 296.371 -1.152 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001185007307 781773312 /nfs/dbraw/zinc/77/33/12/781773312.db2.gz OCSQZVZDOVNAIS-NMKXLXIOSA-N 1 0 291.351 -1.181 20 30 CAEDRO C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185040566 781773386 /nfs/dbraw/zinc/77/33/86/781773386.db2.gz PAXKSSLAGUIBDR-VHSXEESVSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040643 781773669 /nfs/dbraw/zinc/77/36/69/781773669.db2.gz PUVBZTNVQTVASF-WDEREUQCSA-N 1 0 294.355 -1.705 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001185136549 781774669 /nfs/dbraw/zinc/77/46/69/781774669.db2.gz HPRZVAVLSIOEEQ-MFKMUULPSA-N 1 0 298.318 -1.055 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCNC[C@@H]1C#N ZINC001185244231 781775876 /nfs/dbraw/zinc/77/58/76/781775876.db2.gz JISLJPLLNYVQDB-WDEREUQCSA-N 1 0 251.334 -1.444 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCNC[C@H]1C#N ZINC001185244228 781776579 /nfs/dbraw/zinc/77/65/79/781776579.db2.gz JISLJPLLNYVQDB-GHMZBOCLSA-N 1 0 251.334 -1.444 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185256166 781776753 /nfs/dbraw/zinc/77/67/53/781776753.db2.gz DHXRTDSZUHTKFZ-NXEZZACHSA-N 1 0 295.343 -1.840 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185257650 781776899 /nfs/dbraw/zinc/77/68/99/781776899.db2.gz WMLDFZMTBFIVPL-BDAKNGLRSA-N 1 0 294.315 -2.502 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185256448 781777407 /nfs/dbraw/zinc/77/74/07/781777407.db2.gz GZYPCKZTOGRDPD-NXEZZACHSA-N 1 0 293.327 -2.392 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185267755 781781145 /nfs/dbraw/zinc/78/11/45/781781145.db2.gz WDANHAAFEBMORP-VHSXEESVSA-N 1 0 268.317 -1.196 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185266010 781781886 /nfs/dbraw/zinc/78/18/86/781781886.db2.gz XHJRLIXOZLEJLV-NXEZZACHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185321849 781783429 /nfs/dbraw/zinc/78/34/29/781783429.db2.gz PZFGVJXYBLEALS-LLVKDONJSA-N 1 0 294.355 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185313179 781783943 /nfs/dbraw/zinc/78/39/43/781783943.db2.gz HDFTVCGPMFKQOI-MRVPVSSYSA-N 1 0 252.274 -2.588 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289120 781784257 /nfs/dbraw/zinc/78/42/57/781784257.db2.gz JGPQIVHGJWRMBE-SNVBAGLBSA-N 1 0 294.355 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001185539111 781787304 /nfs/dbraw/zinc/78/73/04/781787304.db2.gz HASSYTHAAOSJHH-VXGBXAGGSA-N 1 0 297.355 -1.412 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689953 781788196 /nfs/dbraw/zinc/78/81/96/781788196.db2.gz NLKPJAKXWSLAIU-MXWKQRLJSA-N 1 0 294.355 -1.400 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001185865636 781789605 /nfs/dbraw/zinc/78/96/05/781789605.db2.gz BNWLECVURPTIRE-LLVKDONJSA-N 1 0 288.311 -1.080 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001185918128 781791750 /nfs/dbraw/zinc/79/17/50/781791750.db2.gz HVHWTZDDNBFNQB-SNVBAGLBSA-N 1 0 290.327 -1.218 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119241 781802137 /nfs/dbraw/zinc/80/21/37/781802137.db2.gz OMVLKBGRAGBAOY-MNOVXSKESA-N 1 0 280.328 -1.810 20 30 CAEDRO CN(C)C(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186163789 781802668 /nfs/dbraw/zinc/80/26/68/781802668.db2.gz DSLOLKVEQCBMQE-SNVBAGLBSA-N 1 0 295.343 -1.705 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186164496 781803125 /nfs/dbraw/zinc/80/31/25/781803125.db2.gz ZDYHHERLQGQWBS-LLVKDONJSA-N 1 0 296.371 -1.043 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312212 781803347 /nfs/dbraw/zinc/80/33/47/781803347.db2.gz KATONHPQZDBOCS-SNVBAGLBSA-N 1 0 290.327 -1.631 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186451464 781805716 /nfs/dbraw/zinc/80/57/16/781805716.db2.gz GLXHSWMYLNFRNM-VHSXEESVSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186451460 781806390 /nfs/dbraw/zinc/80/63/90/781806390.db2.gz GLXHSWMYLNFRNM-NXEZZACHSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186473635 781806412 /nfs/dbraw/zinc/80/64/12/781806412.db2.gz WXMAMSPMKVXWMJ-SECBINFHSA-N 1 0 277.284 -1.377 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186563285 781807714 /nfs/dbraw/zinc/80/77/14/781807714.db2.gz WKJFSTBVKUTEPP-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151585252 781813239 /nfs/dbraw/zinc/81/32/39/781813239.db2.gz AGDCEDXAQFKPHU-LBPRGKRZSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151585249 781813512 /nfs/dbraw/zinc/81/35/12/781813512.db2.gz AGDCEDXAQFKPHU-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001187515934 781822758 /nfs/dbraw/zinc/82/27/58/781822758.db2.gz IXRCWIBJYZFYKQ-SNVBAGLBSA-N 1 0 273.358 -1.299 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664304 781828331 /nfs/dbraw/zinc/82/83/31/781828331.db2.gz MZSAOVQDYPADCD-LLVKDONJSA-N 1 0 292.343 -1.229 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187915891 781832371 /nfs/dbraw/zinc/83/23/71/781832371.db2.gz SIWQIRZYDYZALR-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1nnn(C)n1 ZINC001273554831 781836520 /nfs/dbraw/zinc/83/65/20/781836520.db2.gz PYPNRWULSYENBE-UHFFFAOYSA-N 1 0 293.331 -1.989 20 30 CAEDRO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188302251 781837112 /nfs/dbraw/zinc/83/71/12/781837112.db2.gz XMBKPNWEWCNIED-NXEZZACHSA-N 1 0 298.343 -1.037 20 30 CAEDRO C#Cc1ccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)cc1 ZINC001188743085 781843044 /nfs/dbraw/zinc/84/30/44/781843044.db2.gz YWICEDZDNGKXBY-RWMBFGLXSA-N 1 0 271.324 -1.199 20 30 CAEDRO C#Cc1ccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)cc1 ZINC001188743084 781844138 /nfs/dbraw/zinc/84/41/38/781844138.db2.gz YWICEDZDNGKXBY-FRRDWIJNSA-N 1 0 271.324 -1.199 20 30 CAEDRO COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829184 781846952 /nfs/dbraw/zinc/84/69/52/781846952.db2.gz SMRROCZEZZWTKQ-NSHDSACASA-N 1 0 282.344 -1.163 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189481361 781860905 /nfs/dbraw/zinc/86/09/05/781860905.db2.gz SZYCZHKKPPIGTM-MNOVXSKESA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189481359 781861339 /nfs/dbraw/zinc/86/13/39/781861339.db2.gz SZYCZHKKPPIGTM-GHMZBOCLSA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189481363 781861366 /nfs/dbraw/zinc/86/13/66/781861366.db2.gz SZYCZHKKPPIGTM-WDEREUQCSA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151777318 781861533 /nfs/dbraw/zinc/86/15/33/781861533.db2.gz DEPJFDIGQSVSIN-SNVBAGLBSA-N 1 0 297.359 -1.769 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189481362 781861724 /nfs/dbraw/zinc/86/17/24/781861724.db2.gz SZYCZHKKPPIGTM-QWRGUYRKSA-N 1 0 294.355 -1.468 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190725479 781887115 /nfs/dbraw/zinc/88/71/15/781887115.db2.gz TWRYOQWTAQJILP-GHMZBOCLSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001190894634 781893988 /nfs/dbraw/zinc/89/39/88/781893988.db2.gz IKJDGQTXPDVMKO-MVWJERBFSA-N 1 0 267.329 -1.304 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001190895151 781894131 /nfs/dbraw/zinc/89/41/31/781894131.db2.gz RITZUGDNSFPISM-RAIGVLPGSA-N 1 0 299.371 -1.125 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001190989842 781895210 /nfs/dbraw/zinc/89/52/10/781895210.db2.gz UVEGMDHNKISQHO-LBPRGKRZSA-N 1 0 294.355 -1.595 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977493 781895921 /nfs/dbraw/zinc/89/59/21/781895921.db2.gz JAEKVEWYEVGBJY-RKDXNWHRSA-N 1 0 256.306 -1.608 20 30 CAEDRO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977692 781896001 /nfs/dbraw/zinc/89/60/01/781896001.db2.gz MCMGGBCXSQPKGZ-NXEZZACHSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191120096 781898404 /nfs/dbraw/zinc/89/84/04/781898404.db2.gz CYNXEIUGYMHOKJ-VXGBXAGGSA-N 1 0 277.328 -1.147 20 30 CAEDRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 ZINC001191161561 781901042 /nfs/dbraw/zinc/90/10/42/781901042.db2.gz DRVBFDROPZGBJP-IVZWLZJFSA-N 1 0 273.358 -1.215 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314793 781905517 /nfs/dbraw/zinc/90/55/17/781905517.db2.gz KSBHCWKSNNKFHM-GHMZBOCLSA-N 1 0 265.313 -1.693 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191560318 781914142 /nfs/dbraw/zinc/91/41/42/781914142.db2.gz CLUBPRRVYNRIHZ-SNVBAGLBSA-N 1 0 288.373 -1.794 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001423189337 890634995 /nfs/dbraw/zinc/63/49/95/890634995.db2.gz KJZMIJLHYCLOAF-ZJUUUORDSA-N 1 0 283.332 -1.762 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001423189322 890634762 /nfs/dbraw/zinc/63/47/62/890634762.db2.gz KJZMIJLHYCLOAF-NXEZZACHSA-N 1 0 283.332 -1.762 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCOC ZINC001507168053 893963996 /nfs/dbraw/zinc/96/39/96/893963996.db2.gz NOZKZZMENIPEQA-LLVKDONJSA-N 1 0 258.318 -1.261 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001507243949 894019874 /nfs/dbraw/zinc/01/98/74/894019874.db2.gz NRXMXFXGSWSUJT-UWVGGRQHSA-N 1 0 253.302 -1.645 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)COC)CC1 ZINC000092492864 883984841 /nfs/dbraw/zinc/98/48/41/883984841.db2.gz YHVOXXDTENHAQV-UHFFFAOYSA-N 1 0 253.302 -1.474 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363694 884042184 /nfs/dbraw/zinc/04/21/84/884042184.db2.gz IXECCECETHNJMN-PJXYFTJBSA-N 1 0 299.396 -1.053 20 30 CAEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)CC ZINC001114363635 884042310 /nfs/dbraw/zinc/04/23/10/884042310.db2.gz HLZOTQVKXYKKNS-PJXYFTJBSA-N 1 0 299.396 -1.005 20 30 CAEDRO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752584 884045577 /nfs/dbraw/zinc/04/55/77/884045577.db2.gz HJHHHWMUVKKPLZ-MYJAWHEDSA-N 1 0 253.302 -1.279 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211945060 884077359 /nfs/dbraw/zinc/07/73/59/884077359.db2.gz RLAVLZFFZQFLPC-NXEZZACHSA-N 1 0 269.301 -1.209 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCCS(N)(=O)=O ZINC001268324245 884091365 /nfs/dbraw/zinc/09/13/65/884091365.db2.gz UEQYUMGVHOFDBP-VIFPVBQESA-N 1 0 277.346 -2.245 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)NC(C)=O ZINC001268319949 884092976 /nfs/dbraw/zinc/09/29/76/884092976.db2.gz CJXJVNUNFIIOKE-MNOVXSKESA-N 1 0 255.318 -1.399 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)C(N)=O)CCOCC1 ZINC001278718215 884105680 /nfs/dbraw/zinc/10/56/80/884105680.db2.gz JVTJTTXUQHLKHK-UHFFFAOYSA-N 1 0 283.328 -1.624 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317230767 884179532 /nfs/dbraw/zinc/17/95/32/884179532.db2.gz WTBZWNJRVLNWBN-BDAKNGLRSA-N 1 0 281.316 -1.208 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CNC(=O)OC ZINC001317227825 884179594 /nfs/dbraw/zinc/17/95/94/884179594.db2.gz UBXOCZURGLSXLM-UWVGGRQHSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001317253577 884181572 /nfs/dbraw/zinc/18/15/72/884181572.db2.gz DBKGOJUOCCFOMR-SNVBAGLBSA-N 1 0 252.318 -1.854 20 30 CAEDRO C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001317264983 884183161 /nfs/dbraw/zinc/18/31/61/884183161.db2.gz BHUCRFSRPKPOJK-VHSXEESVSA-N 1 0 270.333 -1.035 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)CN(C)C(=O)COC ZINC001317449276 884194940 /nfs/dbraw/zinc/19/49/40/884194940.db2.gz ZCHBTPSWDWCFCF-UHFFFAOYSA-N 1 0 299.371 -1.211 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001317453813 884195072 /nfs/dbraw/zinc/19/50/72/884195072.db2.gz SEMODCIJIVVPKO-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001317445715 884195894 /nfs/dbraw/zinc/19/58/94/884195894.db2.gz GDUIOQOOZSMKOL-UHFFFAOYSA-N 1 0 290.389 -1.594 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CNC(=O)N1 ZINC001317635203 884229345 /nfs/dbraw/zinc/22/93/45/884229345.db2.gz YKPWWYHFBYSBSW-MRVPVSSYSA-N 1 0 282.304 -2.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cnon1 ZINC001318590689 884287537 /nfs/dbraw/zinc/28/75/37/884287537.db2.gz HJMGTZSONWEJBV-SECBINFHSA-N 1 0 279.300 -1.083 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001319453066 884329264 /nfs/dbraw/zinc/32/92/64/884329264.db2.gz DUHGEAKCSXQCEK-VHSXEESVSA-N 1 0 255.318 -1.054 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(C)=O)C1=O ZINC001320188111 884379649 /nfs/dbraw/zinc/37/96/49/884379649.db2.gz MQTFHAXBKDXXIX-QWRGUYRKSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001320186624 884380520 /nfs/dbraw/zinc/38/05/20/884380520.db2.gz LUPCPBXHQLWMIB-GXSJLCMTSA-N 1 0 255.318 -1.399 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001320186004 884381840 /nfs/dbraw/zinc/38/18/40/884381840.db2.gz JHBFRXZNEBTLBL-LLVKDONJSA-N 1 0 267.329 -1.301 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001320198235 884381961 /nfs/dbraw/zinc/38/19/61/884381961.db2.gz BCQGTGQLPOJKTQ-SNVBAGLBSA-N 1 0 255.318 -1.235 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001320201684 884383792 /nfs/dbraw/zinc/38/37/92/884383792.db2.gz ITJIQUDFVBZMPB-NXEZZACHSA-N 1 0 284.316 -2.271 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001320213630 884391248 /nfs/dbraw/zinc/39/12/48/884391248.db2.gz HRQADYYWFSGZQQ-DTWKUNHWSA-N 1 0 258.322 -1.314 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001320217073 884391979 /nfs/dbraw/zinc/39/19/79/884391979.db2.gz MWDSMPFAVSAUDI-CHWSQXEVSA-N 1 0 282.340 -1.259 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001320245056 884402690 /nfs/dbraw/zinc/40/26/90/884402690.db2.gz KQFHRSSOOMMGKD-SNVBAGLBSA-N 1 0 281.312 -1.775 20 30 CAEDRO CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001320279730 884408148 /nfs/dbraw/zinc/40/81/48/884408148.db2.gz FZLVODMOPSUJDA-GMTAPVOTSA-N 1 0 282.344 -1.261 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCN1CCOCC1 ZINC001320286469 884411697 /nfs/dbraw/zinc/41/16/97/884411697.db2.gz LGFOFZYXNPLOLT-CYBMUJFWSA-N 1 0 283.372 -1.201 20 30 CAEDRO C[NH+](C)C[C@H](CO)NC(=O)Cn1cnc(C#N)n1 ZINC001324071702 884648741 /nfs/dbraw/zinc/64/87/41/884648741.db2.gz QCYQTNKTTFGTRY-MRVPVSSYSA-N 1 0 252.278 -1.812 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001325098614 884708478 /nfs/dbraw/zinc/70/84/78/884708478.db2.gz SOOQKZVSBNKSEM-TZMCWYRMSA-N 1 0 284.356 -1.040 20 30 CAEDRO N#CCN1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001325309279 884730292 /nfs/dbraw/zinc/73/02/92/884730292.db2.gz WWFHBKAHXATZAA-UHFFFAOYSA-N 1 0 252.318 -1.231 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001325356867 884730314 /nfs/dbraw/zinc/73/03/14/884730314.db2.gz REMQQHYFXHISGR-PHIMTYICSA-N 1 0 267.329 -1.039 20 30 CAEDRO OC[C@@H]1C[C@@H](O)CN1CC#CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC001325724000 884738964 /nfs/dbraw/zinc/73/89/64/884738964.db2.gz JHOSTDOZZKQVGN-IGQOVBAYSA-N 1 0 284.356 -2.155 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+]CCn1cncn1 ZINC001325990431 884756145 /nfs/dbraw/zinc/75/61/45/884756145.db2.gz QZOZJPOIFSAELF-NSHDSACASA-N 1 0 280.332 -1.152 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001326034520 884758102 /nfs/dbraw/zinc/75/81/02/884758102.db2.gz UDOAGAASANCSSA-GFCCVEGCSA-N 1 0 281.356 -1.102 20 30 CAEDRO C#CCNC(=O)CC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC001326249426 884777923 /nfs/dbraw/zinc/77/79/23/884777923.db2.gz WBWQDBLXSOPODD-UHFFFAOYSA-N 1 0 273.358 -1.121 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC2C[NH2+]C2)C1=O ZINC001326291830 884779996 /nfs/dbraw/zinc/77/99/96/884779996.db2.gz CFGFOPRNJNYNKD-UHFFFAOYSA-N 1 0 280.284 -1.701 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC001326548483 884805632 /nfs/dbraw/zinc/80/56/32/884805632.db2.gz XFGZDYJBKUFUHL-NXEZZACHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(=O)COC)CCO1 ZINC001326989717 884848646 /nfs/dbraw/zinc/84/86/46/884848646.db2.gz VSUFJXQCOWLEDK-GFCCVEGCSA-N 1 0 297.355 -1.459 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001327871287 884935138 /nfs/dbraw/zinc/93/51/38/884935138.db2.gz YWZCKMXVSOWFCA-GFCCVEGCSA-N 1 0 278.356 -1.511 20 30 CAEDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C[NH2+]1 ZINC001329014684 885046534 /nfs/dbraw/zinc/04/65/34/885046534.db2.gz QFNIFSJGXAIWGA-GMTAPVOTSA-N 1 0 280.328 -1.006 20 30 CAEDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C[NH2+]1 ZINC001329014686 885047275 /nfs/dbraw/zinc/04/72/75/885047275.db2.gz QFNIFSJGXAIWGA-OUAUKWLOSA-N 1 0 280.328 -1.006 20 30 CAEDRO C[NH+](C)CCn1ccc(C(=O)NCC(=O)NCC#N)n1 ZINC001329067115 885055792 /nfs/dbraw/zinc/05/57/92/885055792.db2.gz TUWLBOIYJIXOLJ-UHFFFAOYSA-N 1 0 278.316 -1.186 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])nn1 ZINC001329466304 885106438 /nfs/dbraw/zinc/10/64/38/885106438.db2.gz QSTKHRJAGBLWNF-VIFPVBQESA-N 1 0 280.332 -1.114 20 30 CAEDRO N#CC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001329469446 885108171 /nfs/dbraw/zinc/10/81/71/885108171.db2.gz KUBDXGIVVUBCEJ-NSHDSACASA-N 1 0 280.328 -1.147 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001329592592 885119427 /nfs/dbraw/zinc/11/94/27/885119427.db2.gz RGIRIPAZRPBEOG-SNVBAGLBSA-N 1 0 280.328 -1.050 20 30 CAEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001330197886 885181940 /nfs/dbraw/zinc/18/19/40/885181940.db2.gz HQSGNKNLTZQEBH-JTQLQIEISA-N 1 0 284.316 -1.829 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(N)=O ZINC001331542899 885285698 /nfs/dbraw/zinc/28/56/98/885285698.db2.gz ISPPMVAUNBNPJX-RKDXNWHRSA-N 1 0 270.333 -1.401 20 30 CAEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001331643306 885298543 /nfs/dbraw/zinc/29/85/43/885298543.db2.gz HILUEFHXWGHRJU-SECBINFHSA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)F ZINC001331663074 885302464 /nfs/dbraw/zinc/30/24/64/885302464.db2.gz ISWVFCJXOLEKCA-SECBINFHSA-N 1 0 273.308 -1.449 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC(F)(F)F ZINC001331680418 885311019 /nfs/dbraw/zinc/31/10/19/885311019.db2.gz CWUYKTDQKXEQHJ-ZETCQYMHSA-N 1 0 296.249 -1.355 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cncs1 ZINC001331685039 885311142 /nfs/dbraw/zinc/31/11/42/885311142.db2.gz RIUPMTGFDHKFCW-VIFPVBQESA-N 1 0 296.352 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(C(=O)NC)CCOCC1 ZINC001331705646 885317465 /nfs/dbraw/zinc/31/74/65/885317465.db2.gz GQKPPAJQTXDPAR-UHFFFAOYSA-N 1 0 253.302 -1.379 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001331712782 885324354 /nfs/dbraw/zinc/32/43/54/885324354.db2.gz SNPLJQINADYJHS-VHSXEESVSA-N 1 0 298.343 -1.704 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCN1CC ZINC001331741957 885330877 /nfs/dbraw/zinc/33/08/77/885330877.db2.gz ZFUTZSHKUSKIBP-CHWSQXEVSA-N 1 0 283.372 -1.203 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001331827495 885351475 /nfs/dbraw/zinc/35/14/75/885351475.db2.gz ZFYDFYNHTGWOIV-SNVBAGLBSA-N 1 0 296.327 -2.030 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1nn(CC)nc1C ZINC001331842412 885354489 /nfs/dbraw/zinc/35/44/89/885354489.db2.gz PRBZUMMPLZCTLC-SNVBAGLBSA-N 1 0 265.317 -1.080 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCCC(N)=O ZINC001331840788 885354560 /nfs/dbraw/zinc/35/45/60/885354560.db2.gz JVDYXXKSAMADFF-JTQLQIEISA-N 1 0 255.318 -1.268 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331787944 885347452 /nfs/dbraw/zinc/34/74/52/885347452.db2.gz NRMDKTXTGWRPRA-KXUCPTDWSA-N 1 0 269.301 -2.281 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC001332119106 885380291 /nfs/dbraw/zinc/38/02/91/885380291.db2.gz IMBJNFBDWWTBKI-LPEHRKFASA-N 1 0 264.285 -1.690 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001332565719 885420719 /nfs/dbraw/zinc/42/07/19/885420719.db2.gz HBNXTCGINXDVPB-BXUZGUMPSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001332547331 885418715 /nfs/dbraw/zinc/41/87/15/885418715.db2.gz NQEDTAOTFUWDSU-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001332593197 885423281 /nfs/dbraw/zinc/42/32/81/885423281.db2.gz ZXXLSWIQDVWTBW-QWRGUYRKSA-N 1 0 267.329 -1.303 20 30 CAEDRO COCC#CC[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC001333107005 885456505 /nfs/dbraw/zinc/45/65/05/885456505.db2.gz GJMIQNXBRARZLJ-UHFFFAOYSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001333268030 885467188 /nfs/dbraw/zinc/46/71/88/885467188.db2.gz QQUOAEAFKBQVRK-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333442551 885480452 /nfs/dbraw/zinc/48/04/52/885480452.db2.gz VWZQCSGPMZVSFT-AXFHLTTASA-N 1 0 265.313 -1.300 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1 ZINC001333596087 885492584 /nfs/dbraw/zinc/49/25/84/885492584.db2.gz LUBHIKURFXNKMM-GHMZBOCLSA-N 1 0 280.328 -1.065 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1 ZINC001333596089 885493236 /nfs/dbraw/zinc/49/32/36/885493236.db2.gz LUBHIKURFXNKMM-QWRGUYRKSA-N 1 0 280.328 -1.065 20 30 CAEDRO C#CCNC(=O)CN1CCN(C)CC[N@@H+](C)CC1 ZINC001333907630 885510141 /nfs/dbraw/zinc/51/01/41/885510141.db2.gz ZHWXBWVSDGYRLD-UHFFFAOYSA-N 1 0 252.362 -1.085 20 30 CAEDRO CN1CC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001334447829 885547415 /nfs/dbraw/zinc/54/74/15/885547415.db2.gz DYRKKBBVOLMWNX-VHSXEESVSA-N 1 0 266.301 -1.442 20 30 CAEDRO CN1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1=O ZINC001334746373 885561271 /nfs/dbraw/zinc/56/12/71/885561271.db2.gz QBKOXYGBZJQDCM-JTQLQIEISA-N 1 0 280.328 -1.052 20 30 CAEDRO O=C(CN1CCC(CO)CC1)N[C@H]1CCN(O)C1=O ZINC001335963932 885643434 /nfs/dbraw/zinc/64/34/34/885643434.db2.gz ZTFVLVKQUOMFNC-JTQLQIEISA-N 1 0 271.317 -1.203 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCO1 ZINC001336118800 885650705 /nfs/dbraw/zinc/65/07/05/885650705.db2.gz KICHSLXXTRMIMT-BXKDBHETSA-N 1 0 266.301 -1.313 20 30 CAEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001336300923 885655530 /nfs/dbraw/zinc/65/55/30/885655530.db2.gz PXBAGSWQGUMGJB-ZWNOBZJWSA-N 1 0 280.328 -1.052 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)CC[NH2+]1 ZINC001336298744 885656120 /nfs/dbraw/zinc/65/61/20/885656120.db2.gz GGTGCYPCQSFBCJ-MFKMUULPSA-N 1 0 280.328 -1.052 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@]1(O)CCOC1 ZINC001336793201 885685379 /nfs/dbraw/zinc/68/53/79/885685379.db2.gz ANYHEKSZPBUCHL-RYUDHWBXSA-N 1 0 257.334 -1.066 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337533052 885708376 /nfs/dbraw/zinc/70/83/76/885708376.db2.gz VWZQCSGPMZVSFT-GMTAPVOTSA-N 1 0 265.313 -1.300 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC001342344953 885882792 /nfs/dbraw/zinc/88/27/92/885882792.db2.gz HNRLUAGOJLZLQI-NSHDSACASA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC001342344949 885883053 /nfs/dbraw/zinc/88/30/53/885883053.db2.gz HNRLUAGOJLZLQI-LLVKDONJSA-N 1 0 267.329 -1.004 20 30 CAEDRO C[C@H](NC(=O)NCC#CCO)[C@@H]1C[N@H+](C)CCN1C ZINC001346042764 885981593 /nfs/dbraw/zinc/98/15/93/885981593.db2.gz AYZPBLFPMQIZBX-RYUDHWBXSA-N 1 0 268.361 -1.084 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001346279027 885997421 /nfs/dbraw/zinc/99/74/21/885997421.db2.gz YUUUKJMFGCEDIZ-LBPRGKRZSA-N 1 0 296.371 -1.886 20 30 CAEDRO C#CCN1CCC[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC001350197429 886161302 /nfs/dbraw/zinc/16/13/02/886161302.db2.gz WQOVIMZZMYQJAO-LLVKDONJSA-N 1 0 294.355 -1.595 20 30 CAEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(O)(CC#N)C1 ZINC001350728611 886182429 /nfs/dbraw/zinc/18/24/29/886182429.db2.gz ODCGEQXVEXOAII-KOLCDFICSA-N 1 0 253.302 -1.072 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001382383191 888345380 /nfs/dbraw/zinc/34/53/80/888345380.db2.gz BTSVVDCGQJCOBN-ZJUUUORDSA-N 1 0 270.333 -1.357 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001403853935 889380223 /nfs/dbraw/zinc/38/02/23/889380223.db2.gz BEHVMIPYDFHNJK-MRVPVSSYSA-N 1 0 288.739 -1.015 20 30 CAEDRO N#CC1(C[C@H](O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001413028168 889929380 /nfs/dbraw/zinc/92/93/80/889929380.db2.gz ORFUKGAMKLTZQY-GUBZILKMSA-N 1 0 280.328 -1.440 20 30 CAEDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC001413370016 889974251 /nfs/dbraw/zinc/97/42/51/889974251.db2.gz QAJFYZWNOIHLQW-QWRGUYRKSA-N 1 0 288.373 -1.003 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC000987195907 884007259 /nfs/dbraw/zinc/00/72/59/884007259.db2.gz KFGMAIUITOUPCG-VHSXEESVSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1C ZINC000987195912 884006227 /nfs/dbraw/zinc/00/62/27/884006227.db2.gz KFGMAIUITOUPCG-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329689 884026588 /nfs/dbraw/zinc/02/65/88/884026588.db2.gz REDSRVUCVOPDQZ-ZJUUUORDSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439497 884027526 /nfs/dbraw/zinc/02/75/26/884027526.db2.gz FDYCQGXHXDJQCD-UTLUCORTSA-N 1 0 267.285 -1.721 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699246 884030610 /nfs/dbraw/zinc/03/06/10/884030610.db2.gz QCFUJSNPSVZSKP-AXFHLTTASA-N 1 0 267.329 -1.140 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439781 884031901 /nfs/dbraw/zinc/03/19/01/884031901.db2.gz OESLHVDSCPELQC-BBBLOLIVSA-N 1 0 269.301 -1.168 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361697 884043011 /nfs/dbraw/zinc/04/30/11/884043011.db2.gz RTYRDHFBLFYFCM-PJXYFTJBSA-N 1 0 299.396 -1.005 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114370973 884044289 /nfs/dbraw/zinc/04/42/89/884044289.db2.gz BRFFCDNGAKCSSO-JZYVYDRUSA-N 1 0 250.302 -1.405 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746000 884045842 /nfs/dbraw/zinc/04/58/42/884045842.db2.gz JUWMZONEIROKDJ-WHOHXGKFSA-N 1 0 292.339 -1.636 20 30 CAEDRO N#CCNC(=O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001117511464 884049861 /nfs/dbraw/zinc/04/98/61/884049861.db2.gz YEXUGUPLKREHFJ-JTQLQIEISA-N 1 0 265.317 -1.868 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126659060 884056281 /nfs/dbraw/zinc/05/62/81/884056281.db2.gz ZIXJJXTWBXXKGG-VIFPVBQESA-N 1 0 278.316 -1.728 20 30 CAEDRO C=CC[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127648672 884059160 /nfs/dbraw/zinc/05/91/60/884059160.db2.gz WKGZVINXLXZBNQ-UHFFFAOYSA-N 1 0 252.278 -1.731 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188125681 884068528 /nfs/dbraw/zinc/06/85/28/884068528.db2.gz PBYKCZBAELODHX-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001192940423 884072145 /nfs/dbraw/zinc/07/21/45/884072145.db2.gz LFPRGBRJZFGJML-JHJVBQTASA-N 1 0 282.340 -1.024 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001266800082 884088656 /nfs/dbraw/zinc/08/86/56/884088656.db2.gz MHYXKUNLQPKKLA-WDEREUQCSA-N 1 0 296.371 -1.152 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001268321200 884092279 /nfs/dbraw/zinc/09/22/79/884092279.db2.gz FGRQMETVYLADEI-JTQLQIEISA-N 1 0 296.327 -1.544 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O ZINC001268321092 884092538 /nfs/dbraw/zinc/09/25/38/884092538.db2.gz FZFFOKDZJAMHKX-SSDOTTSWSA-N 1 0 256.262 -3.712 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)NC(C)=O ZINC001268319948 884092594 /nfs/dbraw/zinc/09/25/94/884092594.db2.gz CJXJVNUNFIIOKE-GHMZBOCLSA-N 1 0 255.318 -1.399 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1cnnn1 ZINC001268299664 884092924 /nfs/dbraw/zinc/09/29/24/884092924.db2.gz MIGVUFQFKDHETG-VIFPVBQESA-N 1 0 252.278 -2.237 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)NC(C)=O ZINC001268319951 884093400 /nfs/dbraw/zinc/09/34/00/884093400.db2.gz CJXJVNUNFIIOKE-WDEREUQCSA-N 1 0 255.318 -1.399 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=CCCC1 ZINC001268302088 884093862 /nfs/dbraw/zinc/09/38/62/884093862.db2.gz PJPVSOOLLFJTJI-NSHDSACASA-N 1 0 280.328 -1.197 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001269442212 884094853 /nfs/dbraw/zinc/09/48/53/884094853.db2.gz BFOXERQZWLSWCL-VIFPVBQESA-N 1 0 290.327 -1.205 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1nc[nH]n1 ZINC001272278085 884097968 /nfs/dbraw/zinc/09/79/68/884097968.db2.gz RUFOOQAGIZZKMJ-UHFFFAOYSA-N 1 0 251.290 -1.148 20 30 CAEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001273959514 884099632 /nfs/dbraw/zinc/09/96/32/884099632.db2.gz RVTIYVDWSRVHFD-SECBINFHSA-N 1 0 268.317 -1.114 20 30 CAEDRO CCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001273848082 884101274 /nfs/dbraw/zinc/10/12/74/884101274.db2.gz GMJZWCJJQGZJBW-ZDUSSCGKSA-N 1 0 282.344 -1.021 20 30 CAEDRO CCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001273848081 884101474 /nfs/dbraw/zinc/10/14/74/884101474.db2.gz GMJZWCJJQGZJBW-CYBMUJFWSA-N 1 0 282.344 -1.021 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001278100121 884103949 /nfs/dbraw/zinc/10/39/49/884103949.db2.gz UEJPCMTUIISDKB-JTQLQIEISA-N 1 0 278.312 -1.516 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccsn1 ZINC001278099810 884104046 /nfs/dbraw/zinc/10/40/46/884104046.db2.gz PTCAPKVBXZKGBG-QMMMGPOBSA-N 1 0 297.340 -1.537 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001278100068 884104261 /nfs/dbraw/zinc/10/42/61/884104261.db2.gz SODCUONIWMXOMZ-VXGBXAGGSA-N 1 0 297.355 -1.628 20 30 CAEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)CNC(=O)NC ZINC001278093401 884104289 /nfs/dbraw/zinc/10/42/89/884104289.db2.gz JTNDRXRYPJUVGW-JTQLQIEISA-N 1 0 272.349 -1.052 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001278094240 884105461 /nfs/dbraw/zinc/10/54/61/884105461.db2.gz USNOJSSTCVYQBY-NWDGAFQWSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCn1ccccc1=O ZINC001278093101 884105566 /nfs/dbraw/zinc/10/55/66/884105566.db2.gz HGKJDOLUEQJBDG-GFCCVEGCSA-N 1 0 277.324 -1.062 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001278100146 884105646 /nfs/dbraw/zinc/10/56/46/884105646.db2.gz UULZDTCSJODJGN-NWDGAFQWSA-N 1 0 297.355 -1.771 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278100147 884105816 /nfs/dbraw/zinc/10/58/16/884105816.db2.gz UULZDTCSJODJGN-RYUDHWBXSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001278094239 884105868 /nfs/dbraw/zinc/10/58/68/884105868.db2.gz USNOJSSTCVYQBY-NEPJUHHUSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001278099001 884105936 /nfs/dbraw/zinc/10/59/36/884105936.db2.gz BKFKCIJGMFJSNL-VHSXEESVSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001278719177 884107320 /nfs/dbraw/zinc/10/73/20/884107320.db2.gz FTWQARLUXFDQGB-LLVKDONJSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001279801296 884107094 /nfs/dbraw/zinc/10/70/94/884107094.db2.gz VZNNNMZKQYLCGS-LBPRGKRZSA-N 1 0 281.356 -1.102 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001278722557 884107406 /nfs/dbraw/zinc/10/74/06/884107406.db2.gz IJYRLVLZPPNAFQ-MNOVXSKESA-N 1 0 279.340 -1.004 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001278742844 884108530 /nfs/dbraw/zinc/10/85/30/884108530.db2.gz HFSSRJJYBWKDHU-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC1CC1 ZINC001278723339 884108813 /nfs/dbraw/zinc/10/88/13/884108813.db2.gz WAZRMBPBWLKAMT-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO N#CCC[C@H](C#N)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001307927754 884128559 /nfs/dbraw/zinc/12/85/59/884128559.db2.gz DUOSKGPPUFJNDB-OPRDCNLKSA-N 1 0 263.301 -1.051 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NCCNS(C)(=O)=O ZINC001311896226 884141394 /nfs/dbraw/zinc/14/13/94/884141394.db2.gz UJZNGINXSSGKSS-UHFFFAOYSA-N 1 0 276.362 -1.600 20 30 CAEDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)C1 ZINC001312662121 884143478 /nfs/dbraw/zinc/14/34/78/884143478.db2.gz PQOLKKMUKHIGFY-JTQLQIEISA-N 1 0 297.359 -1.229 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001312789483 884143898 /nfs/dbraw/zinc/14/38/98/884143898.db2.gz QNKFGUDEVYPUCQ-PHIMTYICSA-N 1 0 292.339 -1.145 20 30 CAEDRO CNC(=O)[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CCO1 ZINC001313439975 884150504 /nfs/dbraw/zinc/15/05/04/884150504.db2.gz ZIVLQWKIPOXZNA-LLVKDONJSA-N 1 0 282.344 -1.292 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001316624745 884150797 /nfs/dbraw/zinc/15/07/97/884150797.db2.gz CZWHCFOONZRUCM-AOOOYVTPSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CCN1CC[C@H]1CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001316598846 884150864 /nfs/dbraw/zinc/15/08/64/884150864.db2.gz JQRDWSAFCAIOIM-ZDUSSCGKSA-N 1 0 292.383 -1.074 20 30 CAEDRO CC#CC[N@H+](C)CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001316824568 884152842 /nfs/dbraw/zinc/15/28/42/884152842.db2.gz UGHKVYYJECAJQQ-UHFFFAOYSA-N 1 0 292.343 -1.162 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1COC(=O)N1 ZINC001316822685 884152860 /nfs/dbraw/zinc/15/28/60/884152860.db2.gz OWIHNUZWJOWQSK-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001316775393 884152930 /nfs/dbraw/zinc/15/29/30/884152930.db2.gz RDTLETGXVHGWKA-SNVBAGLBSA-N 1 0 295.343 -1.528 20 30 CAEDRO C=CCOCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001316743617 884153056 /nfs/dbraw/zinc/15/30/56/884153056.db2.gz HKFBTEBZIGXPQR-LBPRGKRZSA-N 1 0 299.371 -1.040 20 30 CAEDRO C=CCOCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001316743614 884153251 /nfs/dbraw/zinc/15/32/51/884153251.db2.gz HKFBTEBZIGXPQR-GFCCVEGCSA-N 1 0 299.371 -1.040 20 30 CAEDRO C#CC[N@@H+](C)CCOCCN(C)C(=O)Cn1ncnn1 ZINC001316763309 884154736 /nfs/dbraw/zinc/15/47/36/884154736.db2.gz NHICWSYRSWLBHN-UHFFFAOYSA-N 1 0 280.332 -1.287 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001317011602 884167800 /nfs/dbraw/zinc/16/78/00/884167800.db2.gz CSNGLDLBCIJIDG-JTQLQIEISA-N 1 0 290.327 -1.505 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001317077423 884171441 /nfs/dbraw/zinc/17/14/41/884171441.db2.gz MSSYWCHHZYTGKP-DCAQKATOSA-N 1 0 281.312 -1.019 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001317087190 884171477 /nfs/dbraw/zinc/17/14/77/884171477.db2.gz UPZLAOZHTTVBQF-SRVKXCTJSA-N 1 0 294.355 -1.373 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001317105287 884171656 /nfs/dbraw/zinc/17/16/56/884171656.db2.gz PFDFTBYEBVSKLI-BIIVOSGPSA-N 1 0 267.289 -1.422 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001317071613 884171809 /nfs/dbraw/zinc/17/18/09/884171809.db2.gz ZURBMUAXMQQCJT-MGCOHNPYSA-N 1 0 294.311 -1.249 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001317106949 884171961 /nfs/dbraw/zinc/17/19/61/884171961.db2.gz AHOBCSBDGHQWNZ-OUAUKWLOSA-N 1 0 292.339 -1.749 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001317105780 884172122 /nfs/dbraw/zinc/17/21/22/884172122.db2.gz VSIAVNOIDKVDII-LPEHRKFASA-N 1 0 280.328 -1.764 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001317105288 884172131 /nfs/dbraw/zinc/17/21/31/884172131.db2.gz PFDFTBYEBVSKLI-PRJMDXOYSA-N 1 0 267.289 -1.422 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317064570 884172169 /nfs/dbraw/zinc/17/21/69/884172169.db2.gz HDFTVCGPMFKQOI-QMMMGPOBSA-N 1 0 252.274 -2.588 20 30 CAEDRO Cc1nonc1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317069903 884172436 /nfs/dbraw/zinc/17/24/36/884172436.db2.gz XOEBJJPNBHMXRA-VIFPVBQESA-N 1 0 292.299 -1.178 20 30 CAEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001317083396 884172507 /nfs/dbraw/zinc/17/25/07/884172507.db2.gz WPMOJZSUBCQSAL-MGCOHNPYSA-N 1 0 290.389 -1.147 20 30 CAEDRO CCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317071837 884172569 /nfs/dbraw/zinc/17/25/69/884172569.db2.gz BBDGVDSPQLKTQD-MGCOHNPYSA-N 1 0 295.343 -1.611 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001317105280 884172833 /nfs/dbraw/zinc/17/28/33/884172833.db2.gz OZLGJJKMEAXZBK-OCAPTIKFSA-N 1 0 267.289 -2.262 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001317112980 884175715 /nfs/dbraw/zinc/17/57/15/884175715.db2.gz VKMZTLOULJCIEB-AOOOYVTPSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001317241640 884178039 /nfs/dbraw/zinc/17/80/39/884178039.db2.gz MPCRGJAOQWNXMU-NXEZZACHSA-N 1 0 298.343 -1.425 20 30 CAEDRO CCNC(=O)CC(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317231983 884177582 /nfs/dbraw/zinc/17/75/82/884177582.db2.gz AQWGXYYMVVNRAC-VIFPVBQESA-N 1 0 283.332 -1.753 20 30 CAEDRO C[C@@H](CNC(=O)c1cnccn1)[NH2+]CC(=O)NCC#N ZINC001317223321 884177503 /nfs/dbraw/zinc/17/75/03/884177503.db2.gz FWAAHWBMDFSOEG-VIFPVBQESA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001317241648 884177798 /nfs/dbraw/zinc/17/77/98/884177798.db2.gz MPCRGJAOQWNXMU-ZJUUUORDSA-N 1 0 298.343 -1.425 20 30 CAEDRO CC(=O)NCC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317222808 884177832 /nfs/dbraw/zinc/17/78/32/884177832.db2.gz DKWHSAWPHXWVFY-MRVPVSSYSA-N 1 0 269.305 -2.143 20 30 CAEDRO C[C@H](CNC(=O)c1cnccn1)[NH2+]CC(=O)NCC#N ZINC001317223316 884178331 /nfs/dbraw/zinc/17/83/31/884178331.db2.gz FWAAHWBMDFSOEG-SECBINFHSA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001317245737 884178155 /nfs/dbraw/zinc/17/81/55/884178155.db2.gz DIVIIRHNWZVXSV-VIFPVBQESA-N 1 0 291.311 -1.361 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC(=O)NCC ZINC001317231954 884178187 /nfs/dbraw/zinc/17/81/87/884178187.db2.gz ALYZMHGERZLNMF-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001317235131 884178398 /nfs/dbraw/zinc/17/83/98/884178398.db2.gz PTNVVEKLQQSDHU-JTQLQIEISA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001317243335 884178552 /nfs/dbraw/zinc/17/85/52/884178552.db2.gz VWAOIFPHNQPCNG-SNVBAGLBSA-N 1 0 290.389 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001317242191 884178703 /nfs/dbraw/zinc/17/87/03/884178703.db2.gz QABDNVWLCALHAR-MJVIPROJSA-N 1 0 279.340 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001317235132 884178965 /nfs/dbraw/zinc/17/89/65/884178965.db2.gz PTNVVEKLQQSDHU-SNVBAGLBSA-N 1 0 294.355 -1.692 20 30 CAEDRO CC(=O)NCC(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317222810 884179106 /nfs/dbraw/zinc/17/91/06/884179106.db2.gz DKWHSAWPHXWVFY-QMMMGPOBSA-N 1 0 269.305 -2.143 20 30 CAEDRO C[C@H](CNC(=O)[C@@H](C)n1cncn1)[NH2+]CC(=O)NCC#N ZINC001317232224 884179216 /nfs/dbraw/zinc/17/92/16/884179216.db2.gz CLJFGMARIFVGDC-NXEZZACHSA-N 1 0 293.331 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001317245735 884179397 /nfs/dbraw/zinc/17/93/97/884179397.db2.gz DIVIIRHNWZVXSV-SECBINFHSA-N 1 0 291.311 -1.361 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001317226135 884179836 /nfs/dbraw/zinc/17/98/36/884179836.db2.gz CDOYLINYJVPAAQ-GHMZBOCLSA-N 1 0 285.344 -1.202 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001317260433 884181435 /nfs/dbraw/zinc/18/14/35/884181435.db2.gz YWCJWZHNDTWRKA-IUCAKERBSA-N 1 0 266.301 -1.298 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001317259972 884180975 /nfs/dbraw/zinc/18/09/75/884180975.db2.gz YOBCZTJWPVLVRI-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001317253569 884182455 /nfs/dbraw/zinc/18/24/55/884182455.db2.gz DBKGOJUOCCFOMR-JTQLQIEISA-N 1 0 252.318 -1.854 20 30 CAEDRO C[C@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001317246087 884182875 /nfs/dbraw/zinc/18/28/75/884182875.db2.gz LMSWNISOFXOEHO-NXEZZACHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1nnc[nH]1 ZINC001317278206 884185742 /nfs/dbraw/zinc/18/57/42/884185742.db2.gz VNIQRYRXDKVHDM-BDAKNGLRSA-N 1 0 278.316 -1.350 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001317272623 884186384 /nfs/dbraw/zinc/18/63/84/884186384.db2.gz ZVFKUERBBMAGLV-SCZZXKLOSA-N 1 0 270.333 -1.353 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001317321451 884188274 /nfs/dbraw/zinc/18/82/74/884188274.db2.gz GICGFWQDOUKNNK-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001317301504 884188514 /nfs/dbraw/zinc/18/85/14/884188514.db2.gz PQHLLSVUJRYACD-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001317305865 884189032 /nfs/dbraw/zinc/18/90/32/884189032.db2.gz QOVGMPNIQWJWOW-ZJUUUORDSA-N 1 0 273.358 -1.252 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001317296343 884189082 /nfs/dbraw/zinc/18/90/82/884189082.db2.gz XKJDXNGQTGGKIJ-LBPRGKRZSA-N 1 0 294.355 -1.595 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317313321 884189431 /nfs/dbraw/zinc/18/94/31/884189431.db2.gz PKFNKAGXWLHHJZ-SNVBAGLBSA-N 1 0 282.344 -1.398 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317313320 884189479 /nfs/dbraw/zinc/18/94/79/884189479.db2.gz PKFNKAGXWLHHJZ-JTQLQIEISA-N 1 0 282.344 -1.398 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317312585 884189531 /nfs/dbraw/zinc/18/95/31/884189531.db2.gz JCVFQUCAARSMOS-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001317304721 884189657 /nfs/dbraw/zinc/18/96/57/884189657.db2.gz HPRZVAVLSIOEEQ-GXFFZTMASA-N 1 0 298.318 -1.055 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001317309674 884189855 /nfs/dbraw/zinc/18/98/55/884189855.db2.gz WTHFGRAXRPZHFK-WDEREUQCSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001317403775 884191010 /nfs/dbraw/zinc/19/10/10/884191010.db2.gz FFROFUHKENJHSE-VHSXEESVSA-N 1 0 295.343 -2.098 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001317403337 884192054 /nfs/dbraw/zinc/19/20/54/884192054.db2.gz WOEUANZUOZHAFV-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)CC(N)=O ZINC001317388701 884192287 /nfs/dbraw/zinc/19/22/87/884192287.db2.gz NOZRFEWZEHEQDF-SNVBAGLBSA-N 1 0 255.318 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1cnnn1C ZINC001317394365 884192586 /nfs/dbraw/zinc/19/25/86/884192586.db2.gz NJONARGVIKYYSD-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO C[C@@H](CCNC(=O)c1cn(C)nn1)[NH2+]CC(=O)NCC#N ZINC001317393925 884192630 /nfs/dbraw/zinc/19/26/30/884192630.db2.gz JCWMQLLDJUMPFJ-VIFPVBQESA-N 1 0 293.331 -1.447 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001317355764 884192643 /nfs/dbraw/zinc/19/26/43/884192643.db2.gz MEUBBMJGIDYIBT-VHSXEESVSA-N 1 0 280.328 -1.762 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001317403776 884192662 /nfs/dbraw/zinc/19/26/62/884192662.db2.gz FFROFUHKENJHSE-ZJUUUORDSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001317462734 884199820 /nfs/dbraw/zinc/19/98/20/884199820.db2.gz IPDYTBFGHXJNSO-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C=CCN1CC[C@H](N2CCC[C@@H]2CNC(=O)C(N)=O)C1=O ZINC001317506562 884205723 /nfs/dbraw/zinc/20/57/23/884205723.db2.gz BYNNHJHRUACWLM-MNOVXSKESA-N 1 0 294.355 -1.161 20 30 CAEDRO CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001317483201 884208788 /nfs/dbraw/zinc/20/87/88/884208788.db2.gz BSKSEWJDXOFDPQ-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001317505617 884209708 /nfs/dbraw/zinc/20/97/08/884209708.db2.gz RIJORQLFYHHOSX-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C=CCN1CC[C@@H](N2CCC[C@H]2CNC(=O)C(N)=O)C1=O ZINC001317506564 884210643 /nfs/dbraw/zinc/21/06/43/884210643.db2.gz BYNNHJHRUACWLM-WDEREUQCSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CNS(=O)(=O)NC ZINC001317481014 884211821 /nfs/dbraw/zinc/21/18/21/884211821.db2.gz CIKSRSIPHLYPNE-UHFFFAOYSA-N 1 0 276.362 -1.889 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001317565647 884212633 /nfs/dbraw/zinc/21/26/33/884212633.db2.gz JNGMNDARAHUOER-QWRGUYRKSA-N 1 0 296.371 -1.303 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cc[n+]([O-])cc1 ZINC001317565789 884213143 /nfs/dbraw/zinc/21/31/43/884213143.db2.gz NKTHMLBDPJEQSD-UHFFFAOYSA-N 1 0 291.311 -1.379 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001317565646 884216067 /nfs/dbraw/zinc/21/60/67/884216067.db2.gz JNGMNDARAHUOER-MNOVXSKESA-N 1 0 296.371 -1.303 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001317536923 884218641 /nfs/dbraw/zinc/21/86/41/884218641.db2.gz MFNZWJKMEYKZIE-NSHDSACASA-N 1 0 292.343 -1.088 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCNC(=O)C1 ZINC001317575280 884222059 /nfs/dbraw/zinc/22/20/59/884222059.db2.gz IDBSSADZXNYGLC-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001317596496 884222365 /nfs/dbraw/zinc/22/23/65/884222365.db2.gz KWFBRGAVJFNWAA-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001317594015 884223241 /nfs/dbraw/zinc/22/32/41/884223241.db2.gz GXDIPEPTMUCGJU-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO COC[C@@H](C)C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317574575 884223720 /nfs/dbraw/zinc/22/37/20/884223720.db2.gz UAUNUNOCXJDBEB-SNVBAGLBSA-N 1 0 270.333 -1.043 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001317617768 884224844 /nfs/dbraw/zinc/22/48/44/884224844.db2.gz BPEJJGLCABARHB-MNOVXSKESA-N 1 0 294.355 -1.705 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001317617767 884225377 /nfs/dbraw/zinc/22/53/77/884225377.db2.gz BPEJJGLCABARHB-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001317619063 884227867 /nfs/dbraw/zinc/22/78/67/884227867.db2.gz RKBLTFZASZVOFZ-NXEZZACHSA-N 1 0 295.343 -1.814 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001317636608 884232321 /nfs/dbraw/zinc/23/23/21/884232321.db2.gz ROCCPVODZZDFHU-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001317663198 884236480 /nfs/dbraw/zinc/23/64/80/884236480.db2.gz HOPXIKKJSGOKQQ-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317831216 884242200 /nfs/dbraw/zinc/24/22/00/884242200.db2.gz PEDLQGRLESEEOX-NSHDSACASA-N 1 0 296.371 -1.056 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317852817 884242795 /nfs/dbraw/zinc/24/27/95/884242795.db2.gz ILYHMVKPHSTVCA-WDEREUQCSA-N 1 0 296.371 -1.057 20 30 CAEDRO C[N@H+](CC(=O)NC1CN(CC(=O)NCC#N)C1)C1CCC1 ZINC001318032466 884248942 /nfs/dbraw/zinc/24/89/42/884248942.db2.gz PHJBRQGWFJZYNH-UHFFFAOYSA-N 1 0 293.371 -1.089 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001318159108 884255370 /nfs/dbraw/zinc/25/53/70/884255370.db2.gz LJBYSNOBIYJRNA-LBPRGKRZSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CS(=O)(=O)NC)C1 ZINC001318175611 884255796 /nfs/dbraw/zinc/25/57/96/884255796.db2.gz CEHHIVACKNLGOU-UHFFFAOYSA-N 1 0 273.358 -1.393 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001318171774 884258219 /nfs/dbraw/zinc/25/82/19/884258219.db2.gz UVGSZTHXPDAXOA-UHFFFAOYSA-N 1 0 287.385 -1.051 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1ncn(C)n1 ZINC001318517094 884280321 /nfs/dbraw/zinc/28/03/21/884280321.db2.gz AABOELQMRPVCGZ-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO CC[C@H](CNC(=O)c1cnon1)[NH2+]CC(=O)NCC#N ZINC001318590739 884289477 /nfs/dbraw/zinc/28/94/77/884289477.db2.gz IALBIGAISVPPMT-MRVPVSSYSA-N 1 0 280.288 -1.193 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319154191 884310164 /nfs/dbraw/zinc/31/01/64/884310164.db2.gz KEUIQJCJCACNGL-VHSXEESVSA-N 1 0 297.359 -1.507 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001319188445 884313495 /nfs/dbraw/zinc/31/34/95/884313495.db2.gz GASMEOQHYXPHHW-JTQLQIEISA-N 1 0 292.343 -1.258 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001319198631 884313581 /nfs/dbraw/zinc/31/35/81/884313581.db2.gz WUJQQKOXKPUOKD-BDAKNGLRSA-N 1 0 266.301 -1.440 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001319188446 884313620 /nfs/dbraw/zinc/31/36/20/884313620.db2.gz GASMEOQHYXPHHW-SNVBAGLBSA-N 1 0 292.343 -1.258 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319186073 884315347 /nfs/dbraw/zinc/31/53/47/884315347.db2.gz PLVMKFNJWXPAGD-ZJUUUORDSA-N 1 0 298.343 -1.439 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@@H](C)CNC(=O)C(N)=O ZINC001319233164 884315488 /nfs/dbraw/zinc/31/54/88/884315488.db2.gz NGNAWQCHTNECOP-SNVBAGLBSA-N 1 0 297.359 -1.424 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCOCC(N)=O)CC1 ZINC001319234894 884316269 /nfs/dbraw/zinc/31/62/69/884316269.db2.gz DESSCUJMGXRVES-UHFFFAOYSA-N 1 0 267.329 -1.050 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001319277784 884317917 /nfs/dbraw/zinc/31/79/17/884317917.db2.gz XEEUTQLJWDMAFS-SNVBAGLBSA-N 1 0 280.328 -1.097 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001319270441 884319471 /nfs/dbraw/zinc/31/94/71/884319471.db2.gz PRBCSSANYRSXEB-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001319417400 884325573 /nfs/dbraw/zinc/32/55/73/884325573.db2.gz FDPVVSHTSRKAJH-LLVKDONJSA-N 1 0 280.332 -1.241 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1=COCCO1 ZINC001319420098 884326294 /nfs/dbraw/zinc/32/62/94/884326294.db2.gz ZHMWJNJSKORESR-JTQLQIEISA-N 1 0 296.327 -1.049 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)=O ZINC001319425708 884327849 /nfs/dbraw/zinc/32/78/49/884327849.db2.gz VGFDTFVAVJUGEP-NSHDSACASA-N 1 0 296.371 -1.349 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001319460706 884329328 /nfs/dbraw/zinc/32/93/28/884329328.db2.gz PUFLSXZETLEZSZ-JTQLQIEISA-N 1 0 293.331 -2.141 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)CC(N)=O ZINC001319508738 884333321 /nfs/dbraw/zinc/33/33/21/884333321.db2.gz CTOXORQKNAQBRX-WDEREUQCSA-N 1 0 296.371 -1.316 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)CC(N)=O ZINC001319508736 884334855 /nfs/dbraw/zinc/33/48/55/884334855.db2.gz CTOXORQKNAQBRX-MNOVXSKESA-N 1 0 296.371 -1.316 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001319523844 884336452 /nfs/dbraw/zinc/33/64/52/884336452.db2.gz CDMIORKDDRCHFO-RKDXNWHRSA-N 1 0 268.317 -1.954 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001319541172 884338538 /nfs/dbraw/zinc/33/85/38/884338538.db2.gz RSRMLAKPWVEZPO-IUCAKERBSA-N 1 0 266.301 -1.346 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cn[nH]n1)C(C)C ZINC001319921183 884359072 /nfs/dbraw/zinc/35/90/72/884359072.db2.gz DSMWYLZXLDPDBX-JTQLQIEISA-N 1 0 292.343 -1.102 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)CNC(C)=O)C(C)C ZINC001319894499 884359251 /nfs/dbraw/zinc/35/92/51/884359251.db2.gz FMQVAJHOBJPORU-GFCCVEGCSA-N 1 0 296.371 -1.398 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1cn[nH]n1)C(C)C ZINC001319921184 884361159 /nfs/dbraw/zinc/36/11/59/884361159.db2.gz DSMWYLZXLDPDBX-SNVBAGLBSA-N 1 0 292.343 -1.102 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)CC(N)=O)C(C)C ZINC001319906368 884361220 /nfs/dbraw/zinc/36/12/20/884361220.db2.gz OAWBQAGNVZDMPU-JTQLQIEISA-N 1 0 282.344 -1.658 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CNC(=O)C(N)=O)C(C)C)C1=O ZINC001319943672 884363450 /nfs/dbraw/zinc/36/34/50/884363450.db2.gz KSSZSMMSDRGKCC-GHMZBOCLSA-N 1 0 296.371 -1.011 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001320199058 884379995 /nfs/dbraw/zinc/37/99/95/884379995.db2.gz IGVOENFWIICNMR-SNVBAGLBSA-N 1 0 266.301 -1.260 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(C)=O)C1=O ZINC001320188110 884380288 /nfs/dbraw/zinc/38/02/88/884380288.db2.gz MQTFHAXBKDXXIX-MNOVXSKESA-N 1 0 255.318 -1.140 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnsn1 ZINC001320198888 884380396 /nfs/dbraw/zinc/38/03/96/884380396.db2.gz HFXZCQRCOSQDIJ-VIFPVBQESA-N 1 0 284.341 -1.132 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001320187484 884382071 /nfs/dbraw/zinc/38/20/71/884382071.db2.gz OMHBEVHSDNMBBY-SNVBAGLBSA-N 1 0 253.302 -1.691 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(F)F ZINC001320190522 884382745 /nfs/dbraw/zinc/38/27/45/884382745.db2.gz YRNZTQKTEJWRDM-QMMMGPOBSA-N 1 0 277.271 -1.542 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O ZINC001320186005 884382530 /nfs/dbraw/zinc/38/25/30/884382530.db2.gz JHBFRXZNEBTLBL-NSHDSACASA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001320201121 884383834 /nfs/dbraw/zinc/38/38/34/884383834.db2.gz OWLDWXBLBGKMGS-ZJUUUORDSA-N 1 0 293.327 -1.772 20 30 CAEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320202316 884383999 /nfs/dbraw/zinc/38/39/99/884383999.db2.gz KRGYYYTZQKEUMR-VHSXEESVSA-N 1 0 283.328 -1.176 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cocn1 ZINC001320200550 884385278 /nfs/dbraw/zinc/38/52/78/884385278.db2.gz GGWWWUAZYSGEBM-VHSXEESVSA-N 1 0 294.311 -1.507 20 30 CAEDRO C=CCOCC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320203594 884385800 /nfs/dbraw/zinc/38/58/00/884385800.db2.gz NOJZGLWTMOWGAI-ZJUUUORDSA-N 1 0 299.327 -1.939 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001320201118 884386129 /nfs/dbraw/zinc/38/61/29/884386129.db2.gz OWLDWXBLBGKMGS-UWVGGRQHSA-N 1 0 293.327 -1.772 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001320201685 884386338 /nfs/dbraw/zinc/38/63/38/884386338.db2.gz ITJIQUDFVBZMPB-UWVGGRQHSA-N 1 0 284.316 -2.271 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC=CC1 ZINC001320202673 884386378 /nfs/dbraw/zinc/38/63/78/884386378.db2.gz QBUGBHGEHVEJGR-GFCCVEGCSA-N 1 0 279.340 -1.231 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cocn1 ZINC001320200541 884386802 /nfs/dbraw/zinc/38/68/02/884386802.db2.gz GGWWWUAZYSGEBM-NXEZZACHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320203590 884386977 /nfs/dbraw/zinc/38/69/77/884386977.db2.gz NOJZGLWTMOWGAI-UWVGGRQHSA-N 1 0 299.327 -1.939 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](O)C(C)C ZINC001320213800 884389382 /nfs/dbraw/zinc/38/93/82/884389382.db2.gz JXRXPIAXUFVGIN-CMPLNLGQSA-N 1 0 285.344 -2.181 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001320215958 884389421 /nfs/dbraw/zinc/38/94/21/884389421.db2.gz ICZMQPPAHAKSAE-MNOVXSKESA-N 1 0 265.313 -1.645 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001320213703 884389501 /nfs/dbraw/zinc/38/95/01/884389501.db2.gz JKGOEWFOQOJTNS-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001320216761 884389586 /nfs/dbraw/zinc/38/95/86/884389586.db2.gz YMNFOXBURXEDQM-VHSXEESVSA-N 1 0 255.318 -1.270 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](O)C(C)C ZINC001320213802 884390384 /nfs/dbraw/zinc/39/03/84/884390384.db2.gz JXRXPIAXUFVGIN-ZYHUDNBSSA-N 1 0 285.344 -2.181 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001320217075 884390567 /nfs/dbraw/zinc/39/05/67/884390567.db2.gz MWDSMPFAVSAUDI-OLZOCXBDSA-N 1 0 282.340 -1.259 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001320212731 884390651 /nfs/dbraw/zinc/39/06/51/884390651.db2.gz BOXJVLJMSTXZNO-LLVKDONJSA-N 1 0 296.327 -1.960 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001320215965 884390984 /nfs/dbraw/zinc/39/09/84/884390984.db2.gz ICZMQPPAHAKSAE-QWRGUYRKSA-N 1 0 265.313 -1.645 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001320212558 884391666 /nfs/dbraw/zinc/39/16/66/884391666.db2.gz AWQVWWCNGBQVTG-SECBINFHSA-N 1 0 265.317 -1.294 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001320205617 884392234 /nfs/dbraw/zinc/39/22/34/884392234.db2.gz UVEZWAGKZCGBTD-WDEREUQCSA-N 1 0 283.328 -2.019 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cncnc1 ZINC001320213863 884392378 /nfs/dbraw/zinc/39/23/78/884392378.db2.gz KKENNBQFXFWGPN-GFCCVEGCSA-N 1 0 278.312 -1.193 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001320219414 884394690 /nfs/dbraw/zinc/39/46/90/884394690.db2.gz XWEWEEDWJFUPML-NEPJUHHUSA-N 1 0 270.329 -1.526 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001320219418 884396849 /nfs/dbraw/zinc/39/68/49/884396849.db2.gz XWEWEEDWJFUPML-VXGBXAGGSA-N 1 0 270.329 -1.526 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001320235523 884398041 /nfs/dbraw/zinc/39/80/41/884398041.db2.gz OKFKBSKBDYJMAE-RISCZKNCSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001320242031 884397800 /nfs/dbraw/zinc/39/78/00/884397800.db2.gz KCDPVFOUBQSLTJ-ZJUUUORDSA-N 1 0 255.318 -1.235 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001320235520 884398357 /nfs/dbraw/zinc/39/83/57/884398357.db2.gz OKFKBSKBDYJMAE-BXUZGUMPSA-N 1 0 281.356 -1.007 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001320235524 884398833 /nfs/dbraw/zinc/39/88/33/884398833.db2.gz OKFKBSKBDYJMAE-SMDDNHRTSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001320242025 884399448 /nfs/dbraw/zinc/39/94/48/884399448.db2.gz KCDPVFOUBQSLTJ-NXEZZACHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001320242993 884399807 /nfs/dbraw/zinc/39/98/07/884399807.db2.gz QOZINFZIXYSNCA-NWDGAFQWSA-N 1 0 269.345 -1.593 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001320232846 884400527 /nfs/dbraw/zinc/40/05/27/884400527.db2.gz DQAASYGCTIVDNH-LLVKDONJSA-N 1 0 277.328 -1.145 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)CC ZINC001320257148 884401467 /nfs/dbraw/zinc/40/14/67/884401467.db2.gz KUSPUJYDVYVDLQ-ZJUUUORDSA-N 1 0 273.308 -1.449 20 30 CAEDRO C[C@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001320256633 884401996 /nfs/dbraw/zinc/40/19/96/884401996.db2.gz IHGIELKETFEDRF-AEJSXWLSSA-N 1 0 268.317 -1.651 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001320255925 884403332 /nfs/dbraw/zinc/40/33/32/884403332.db2.gz BIOJGTZXULYLFF-AXFHLTTASA-N 1 0 267.329 -1.542 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)CC(N)=O ZINC001320260224 884403695 /nfs/dbraw/zinc/40/36/95/884403695.db2.gz TXGROEGPNPHTBN-GHMZBOCLSA-N 1 0 285.344 -1.786 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001320270198 884404883 /nfs/dbraw/zinc/40/48/83/884404883.db2.gz KDJKHSAIPCUDJM-VIFPVBQESA-N 1 0 253.302 -1.658 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001320270066 884405190 /nfs/dbraw/zinc/40/51/90/884405190.db2.gz HHCZQSDXHREKOF-VIFPVBQESA-N 1 0 296.327 -2.932 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001320286017 884407666 /nfs/dbraw/zinc/40/76/66/884407666.db2.gz HSQAPGSIKVOCIT-JTQLQIEISA-N 1 0 281.316 -1.855 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001320281487 884407779 /nfs/dbraw/zinc/40/77/79/884407779.db2.gz AZRCREGDVZSXPO-JTQLQIEISA-N 1 0 290.385 -1.100 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CNS(=O)(=O)N(C)C ZINC001320284090 884408448 /nfs/dbraw/zinc/40/84/48/884408448.db2.gz RRUXNQMVQIHESI-VIFPVBQESA-N 1 0 292.361 -2.918 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1nnnc1C(C)C ZINC001320285390 884408619 /nfs/dbraw/zinc/40/86/19/884408619.db2.gz ZQCKMXJHKCANIS-NSHDSACASA-N 1 0 294.359 -1.114 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)CNC(C)=O ZINC001320285925 884408717 /nfs/dbraw/zinc/40/87/17/884408717.db2.gz GQKFQNXRUHCQLP-LLVKDONJSA-N 1 0 269.345 -1.151 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CNS(=O)(=O)N(C)C ZINC001320284089 884408725 /nfs/dbraw/zinc/40/87/25/884408725.db2.gz RRUXNQMVQIHESI-SECBINFHSA-N 1 0 292.361 -2.918 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1nccc1C ZINC001320281846 884408731 /nfs/dbraw/zinc/40/87/31/884408731.db2.gz DILDXRFNYRPQCR-LLVKDONJSA-N 1 0 250.302 -1.109 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1nnnc1C(C)C ZINC001320285389 884408775 /nfs/dbraw/zinc/40/87/75/884408775.db2.gz ZQCKMXJHKCANIS-LLVKDONJSA-N 1 0 294.359 -1.114 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001320286617 884410286 /nfs/dbraw/zinc/41/02/86/884410286.db2.gz MVMOCBLCAXQTKH-NSHDSACASA-N 1 0 292.339 -1.033 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(CC)nn1 ZINC001320293322 884410340 /nfs/dbraw/zinc/41/03/40/884410340.db2.gz RNGRKQJIYZXPFD-VIFPVBQESA-N 1 0 251.290 -1.389 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC)nn1 ZINC001320293321 884411507 /nfs/dbraw/zinc/41/15/07/884411507.db2.gz RNGRKQJIYZXPFD-SECBINFHSA-N 1 0 251.290 -1.389 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001320295732 884412440 /nfs/dbraw/zinc/41/24/40/884412440.db2.gz MQHRWGIXFRWVPP-SNVBAGLBSA-N 1 0 298.343 -1.477 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CNC(C)=O ZINC001320331343 884413715 /nfs/dbraw/zinc/41/37/15/884413715.db2.gz FJKFVYPXOURPGS-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001320312963 884414054 /nfs/dbraw/zinc/41/40/54/884414054.db2.gz IYPLRLXXLSNVNX-IUCAKERBSA-N 1 0 275.330 -2.622 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001320304137 884414530 /nfs/dbraw/zinc/41/45/30/884414530.db2.gz PRNAJMVCPABIMI-DTWKUNHWSA-N 1 0 284.316 -1.773 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001320315963 884414542 /nfs/dbraw/zinc/41/45/42/884414542.db2.gz KUOMWAWXSFMVSU-MNOVXSKESA-N 1 0 282.344 -1.381 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1nccnc1C(N)=O ZINC001320304200 884415362 /nfs/dbraw/zinc/41/53/62/884415362.db2.gz QEAOXFIROVWQCP-VIFPVBQESA-N 1 0 293.327 -1.168 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)=O ZINC001320356133 884417466 /nfs/dbraw/zinc/41/74/66/884417466.db2.gz GWGMXNMPPPXQBF-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001320356470 884417549 /nfs/dbraw/zinc/41/75/49/884417549.db2.gz KKNYDYBQZQMIBX-RYUDHWBXSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001320356471 884418200 /nfs/dbraw/zinc/41/82/00/884418200.db2.gz KKNYDYBQZQMIBX-VXGBXAGGSA-N 1 0 297.355 -1.364 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]n1 ZINC001320474783 884422962 /nfs/dbraw/zinc/42/29/62/884422962.db2.gz ABXMBDNWVCAOBX-QMMMGPOBSA-N 1 0 279.304 -1.458 20 30 CAEDRO C#CC[NH2+]CC[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001320438451 884423616 /nfs/dbraw/zinc/42/36/16/884423616.db2.gz BGUSBGPPUDBTEI-NSHDSACASA-N 1 0 292.339 -1.335 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1[nH]nnc1C ZINC001320515139 884425895 /nfs/dbraw/zinc/42/58/95/884425895.db2.gz CBYFKCKZXZBEEQ-SECBINFHSA-N 1 0 292.343 -1.039 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CNC(=O)N1 ZINC001320529101 884429168 /nfs/dbraw/zinc/42/91/68/884429168.db2.gz JJWCMDXLCXOVEU-RKDXNWHRSA-N 1 0 296.331 -2.208 20 30 CAEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001320570106 884432742 /nfs/dbraw/zinc/43/27/42/884432742.db2.gz MYFOOAIHFMTJSJ-JQWIXIFHSA-N 1 0 296.371 -1.126 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001320613848 884436240 /nfs/dbraw/zinc/43/62/40/884436240.db2.gz IOXMGOZGXKONBV-QWRGUYRKSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001320613847 884436351 /nfs/dbraw/zinc/43/63/51/884436351.db2.gz IOXMGOZGXKONBV-MNOVXSKESA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cnnn1C ZINC001320724779 884443338 /nfs/dbraw/zinc/44/33/38/884443338.db2.gz KSWXCVMNZPGLAX-UHFFFAOYSA-N 1 0 292.343 -1.384 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]CC(N)=O ZINC001320735350 884445447 /nfs/dbraw/zinc/44/54/47/884445447.db2.gz XIGCCSHIMQPKEV-JTQLQIEISA-N 1 0 255.318 -1.052 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cccn1 ZINC001320970060 884459217 /nfs/dbraw/zinc/45/92/17/884459217.db2.gz LKNVIANJSWHZAS-OWOJBTEDSA-N 1 0 290.327 -1.215 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cccn1 ZINC001320970061 884459570 /nfs/dbraw/zinc/45/95/70/884459570.db2.gz LKNVIANJSWHZAS-UPHRSURJSA-N 1 0 290.327 -1.215 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321057988 884464911 /nfs/dbraw/zinc/46/49/11/884464911.db2.gz UZKVUAKXWJEDDN-ORAHPGNNSA-N 1 0 296.327 -1.518 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321057989 884464943 /nfs/dbraw/zinc/46/49/43/884464943.db2.gz UZKVUAKXWJEDDN-UMCURTJPSA-N 1 0 296.327 -1.518 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321057987 884464978 /nfs/dbraw/zinc/46/49/78/884464978.db2.gz UZKVUAKXWJEDDN-LWTINBJPSA-N 1 0 296.327 -1.518 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cn(C)nn1 ZINC001321045211 884464993 /nfs/dbraw/zinc/46/49/93/884464993.db2.gz PQOWYFFWRZJELG-PLNGDYQASA-N 1 0 292.343 -1.007 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CCS(=O)(=O)NC ZINC001321056646 884465098 /nfs/dbraw/zinc/46/50/98/884465098.db2.gz IKCQKSDNVITHFV-SNAWJCMRSA-N 1 0 273.358 -1.179 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001321095735 884467906 /nfs/dbraw/zinc/46/79/06/884467906.db2.gz DPSITMBCGXFIHX-PCAWENJQSA-N 1 0 278.356 -1.169 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)C1CS(=O)(=O)C1 ZINC001321071341 884469649 /nfs/dbraw/zinc/46/96/49/884469649.db2.gz SOGGQRMIHSYQFL-ONEGZZNKSA-N 1 0 256.327 -1.074 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001321139619 884471887 /nfs/dbraw/zinc/47/18/87/884471887.db2.gz GDHLYICMZNHQKS-ARJAWSKDSA-N 1 0 276.296 -1.156 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001321139621 884471998 /nfs/dbraw/zinc/47/19/98/884471998.db2.gz GDHLYICMZNHQKS-ONEGZZNKSA-N 1 0 276.296 -1.156 20 30 CAEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CNC(=O)N1 ZINC001321218513 884476930 /nfs/dbraw/zinc/47/69/30/884476930.db2.gz AGGLTIUGYQWPBB-OTDNITJGSA-N 1 0 280.328 -1.420 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C1(C(N)=O)CC1 ZINC001321218803 884480294 /nfs/dbraw/zinc/48/02/94/884480294.db2.gz CQLPYCCMAMFPQU-ARJAWSKDSA-N 1 0 292.339 -1.737 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001321248319 884481175 /nfs/dbraw/zinc/48/11/75/884481175.db2.gz AYVGGSCKXQTNBZ-CBZSPVTBSA-N 1 0 265.313 -1.086 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C1(C(N)=O)CC1 ZINC001321218804 884481452 /nfs/dbraw/zinc/48/14/52/884481452.db2.gz CQLPYCCMAMFPQU-ONEGZZNKSA-N 1 0 292.339 -1.737 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C(N)=O ZINC001321224346 884481604 /nfs/dbraw/zinc/48/16/04/884481604.db2.gz RLMREAAFSBCRTI-WBSSQXGSSA-N 1 0 268.317 -1.576 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1nc[nH]n1 ZINC001321342021 884487625 /nfs/dbraw/zinc/48/76/25/884487625.db2.gz ZZIPKGKTGIQHKP-OWOJBTEDSA-N 1 0 291.315 -1.751 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001321392079 884493397 /nfs/dbraw/zinc/49/33/97/884493397.db2.gz KSBGUMANMUSUJD-SNAWJCMRSA-N 1 0 276.296 -1.005 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1 ZINC001321488550 884495861 /nfs/dbraw/zinc/49/58/61/884495861.db2.gz LZAKHSXCEPXYEV-LLVKDONJSA-N 1 0 297.359 -1.947 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001321468380 884497035 /nfs/dbraw/zinc/49/70/35/884497035.db2.gz MKIBJWKRJGSONC-OUAUKWLOSA-N 1 0 294.355 -1.503 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001321543397 884499117 /nfs/dbraw/zinc/49/91/17/884499117.db2.gz OHHUWZUQEAQQOG-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001321542955 884499757 /nfs/dbraw/zinc/49/97/57/884499757.db2.gz DAWBCGHPWACUJK-ZJUUUORDSA-N 1 0 296.327 -1.671 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001321532437 884501038 /nfs/dbraw/zinc/50/10/38/884501038.db2.gz GVLTVQOGDFYZHT-MNOVXSKESA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001321571859 884502091 /nfs/dbraw/zinc/50/20/91/884502091.db2.gz UJEHINKYHCMNKO-UHFFFAOYSA-N 1 0 267.329 -1.037 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1(C(N)=O)CC1 ZINC001321627319 884506800 /nfs/dbraw/zinc/50/68/00/884506800.db2.gz ATPJGAXYEMDPTD-MRVPVSSYSA-N 1 0 281.316 -2.014 20 30 CAEDRO C=CCn1cc(C(=O)N[C@H](C)C[NH2+]CC(N)=O)nn1 ZINC001321674409 884510450 /nfs/dbraw/zinc/51/04/50/884510450.db2.gz QQNCHYLVQPIBNV-MRVPVSSYSA-N 1 0 266.305 -1.343 20 30 CAEDRO CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321654160 884510989 /nfs/dbraw/zinc/51/09/89/884510989.db2.gz HIERJTMEZLHUDF-MWLCHTKSSA-N 1 0 297.359 -1.365 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001321702677 884514074 /nfs/dbraw/zinc/51/40/74/884514074.db2.gz GLTAFGBRPNIKBL-ZJUUUORDSA-N 1 0 295.347 -1.542 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CN1CCOCC1 ZINC001321823384 884518960 /nfs/dbraw/zinc/51/89/60/884518960.db2.gz LZAKHSXCEPXYEV-NSHDSACASA-N 1 0 297.359 -1.947 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)cn1 ZINC001321822240 884520402 /nfs/dbraw/zinc/52/04/02/884520402.db2.gz CDZZDCWXVGTHOL-VIFPVBQESA-N 1 0 278.316 -1.232 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CCNC(=O)COC ZINC001321868187 884522498 /nfs/dbraw/zinc/52/24/98/884522498.db2.gz VERQKSHUNIYKLU-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001321876476 884522526 /nfs/dbraw/zinc/52/25/26/884522526.db2.gz SNTZOFPKMXYQSO-JTQLQIEISA-N 1 0 253.302 -1.427 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001321936799 884529094 /nfs/dbraw/zinc/52/90/94/884529094.db2.gz BCLCRBRQXLGWSZ-VIFPVBQESA-N 1 0 278.378 -1.289 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001321950062 884529127 /nfs/dbraw/zinc/52/91/27/884529127.db2.gz QAYOYSUEXUEINF-IUCAKERBSA-N 1 0 296.331 -2.256 20 30 CAEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)C(N)=O ZINC001321968837 884529578 /nfs/dbraw/zinc/52/95/78/884529578.db2.gz NPYWUIKFQICHNH-JTQLQIEISA-N 1 0 284.360 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001321957231 884530062 /nfs/dbraw/zinc/53/00/62/884530062.db2.gz SXEIDFKSBMZWQV-QWRGUYRKSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001321937905 884531134 /nfs/dbraw/zinc/53/11/34/884531134.db2.gz SYSFONZSNBXNOW-VIFPVBQESA-N 1 0 276.362 -1.842 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001322002417 884533045 /nfs/dbraw/zinc/53/30/45/884533045.db2.gz JSBCZRWEHMEFPG-IUCAKERBSA-N 1 0 266.301 -1.298 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001322013151 884534092 /nfs/dbraw/zinc/53/40/92/884534092.db2.gz OSESLFUITYPFOS-WPRPVWTQSA-N 1 0 268.317 -1.906 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cccnn1 ZINC001322022330 884534768 /nfs/dbraw/zinc/53/47/68/884534768.db2.gz ABPDTBRCXKYXIW-VIFPVBQESA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001322041965 884537170 /nfs/dbraw/zinc/53/71/70/884537170.db2.gz NHDCBKCPNAKTCR-VIFPVBQESA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001322292999 884547761 /nfs/dbraw/zinc/54/77/61/884547761.db2.gz KGFZMDJUTADFNS-VIFPVBQESA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001322285553 884548041 /nfs/dbraw/zinc/54/80/41/884548041.db2.gz NRWSHZAQGZWLAC-SNVBAGLBSA-N 1 0 279.344 -1.040 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C(N)=O)CC1 ZINC001322358153 884549094 /nfs/dbraw/zinc/54/90/94/884549094.db2.gz OUTUBBUINIHKAY-SNVBAGLBSA-N 1 0 253.302 -1.706 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CNC(C)=O ZINC001322383188 884551245 /nfs/dbraw/zinc/55/12/45/884551245.db2.gz GNKSZRCKACSTCI-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1COCCO1 ZINC001322420280 884553486 /nfs/dbraw/zinc/55/34/86/884553486.db2.gz JFLCCDRQZQFPBG-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1COCCO1 ZINC001322420281 884554647 /nfs/dbraw/zinc/55/46/47/884554647.db2.gz JFLCCDRQZQFPBG-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001322494324 884556585 /nfs/dbraw/zinc/55/65/85/884556585.db2.gz UWTHZHLMVUSJQJ-SNVBAGLBSA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001322494323 884557224 /nfs/dbraw/zinc/55/72/24/884557224.db2.gz UWTHZHLMVUSJQJ-JTQLQIEISA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1ncn(C)n1 ZINC001322492828 884557298 /nfs/dbraw/zinc/55/72/98/884557298.db2.gz GOEGGZIIJXDVLG-UHFFFAOYSA-N 1 0 292.343 -1.384 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CN1CCOCC1=O ZINC001322542429 884561135 /nfs/dbraw/zinc/56/11/35/884561135.db2.gz CACIPJJIBMXUQV-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1cn[nH]n1 ZINC001322590574 884564206 /nfs/dbraw/zinc/56/42/06/884564206.db2.gz FYIIIKDOABASJH-UHFFFAOYSA-N 1 0 279.304 -1.504 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001322672949 884569670 /nfs/dbraw/zinc/56/96/70/884569670.db2.gz NSOZUBNHBWNZAH-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C(N)=O ZINC001322672718 884571475 /nfs/dbraw/zinc/57/14/75/884571475.db2.gz KKISSKLYJQMPSA-UHFFFAOYSA-N 1 0 299.331 -2.078 20 30 CAEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(=O)NCC#N ZINC001322789112 884578358 /nfs/dbraw/zinc/57/83/58/884578358.db2.gz HHJZPUJGNMHWIS-JTQLQIEISA-N 1 0 268.317 -1.289 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001322999626 884592009 /nfs/dbraw/zinc/59/20/09/884592009.db2.gz JGESLOCNPOSWPI-MWLCHTKSSA-N 1 0 267.329 -1.006 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001323049167 884595522 /nfs/dbraw/zinc/59/55/22/884595522.db2.gz WHNWASUWLSLYLY-LLVKDONJSA-N 1 0 292.343 -1.042 20 30 CAEDRO COCC#CC[NH2+]C[C@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001323049168 884595565 /nfs/dbraw/zinc/59/55/65/884595565.db2.gz WHNWASUWLSLYLY-NSHDSACASA-N 1 0 292.343 -1.042 20 30 CAEDRO C[C@H](NC(=O)NCC(=O)NCC#N)[C@@H]1CN(C)CCO1 ZINC001323068060 884597270 /nfs/dbraw/zinc/59/72/70/884597270.db2.gz HRJMDWUDUWVGCD-UWVGGRQHSA-N 1 0 283.332 -1.356 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)CNC(=O)NC)CC1 ZINC001323455782 884621422 /nfs/dbraw/zinc/62/14/22/884621422.db2.gz FQIHUTLAGPKKLH-UHFFFAOYSA-N 1 0 297.359 -1.544 20 30 CAEDRO C=CCn1cc(C(=O)NCC2([NH2+]CC(N)=O)CC2)nn1 ZINC001323567544 884624357 /nfs/dbraw/zinc/62/43/57/884624357.db2.gz NZWWILASEGMGSI-UHFFFAOYSA-N 1 0 278.316 -1.199 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001323591947 884624778 /nfs/dbraw/zinc/62/47/78/884624778.db2.gz NWFVHYIXMPFWPF-UHFFFAOYSA-N 1 0 291.315 -1.775 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001323613393 884628538 /nfs/dbraw/zinc/62/85/38/884628538.db2.gz DZWVRYIUKNDPID-VIFPVBQESA-N 1 0 271.342 -1.450 20 30 CAEDRO N#CCNC(=O)CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001323826759 884636462 /nfs/dbraw/zinc/63/64/62/884636462.db2.gz BOPMXQDQTMLRHK-QWRGUYRKSA-N 1 0 295.343 -1.211 20 30 CAEDRO N#CCNC(=O)CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001323826758 884636699 /nfs/dbraw/zinc/63/66/99/884636699.db2.gz BOPMXQDQTMLRHK-MNOVXSKESA-N 1 0 295.343 -1.211 20 30 CAEDRO N#CCNC(=O)CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001323826760 884636861 /nfs/dbraw/zinc/63/68/61/884636861.db2.gz BOPMXQDQTMLRHK-WDEREUQCSA-N 1 0 295.343 -1.211 20 30 CAEDRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001324014196 884647251 /nfs/dbraw/zinc/64/72/51/884647251.db2.gz ZVJNDLDPIHPKIW-LLVKDONJSA-N 1 0 298.343 -1.568 20 30 CAEDRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001324014197 884647430 /nfs/dbraw/zinc/64/74/30/884647430.db2.gz ZVJNDLDPIHPKIW-NSHDSACASA-N 1 0 298.343 -1.568 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001324080951 884648067 /nfs/dbraw/zinc/64/80/67/884648067.db2.gz LFMVPMAPAQZYNE-VHSXEESVSA-N 1 0 280.328 -1.810 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001324080950 884648416 /nfs/dbraw/zinc/64/84/16/884648416.db2.gz LFMVPMAPAQZYNE-UWVGGRQHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C=CCOCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001324130111 884650098 /nfs/dbraw/zinc/65/00/98/884650098.db2.gz ODCVTAPREAZLOT-JTQLQIEISA-N 1 0 298.343 -1.036 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CNS(=O)(=O)NC ZINC001324198617 884654612 /nfs/dbraw/zinc/65/46/12/884654612.db2.gz DZKWYWOFJDZRIP-SNVBAGLBSA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001324186355 884654656 /nfs/dbraw/zinc/65/46/56/884654656.db2.gz IGFIGMUCJRBMDM-JTQLQIEISA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001324265895 884656767 /nfs/dbraw/zinc/65/67/67/884656767.db2.gz FZCNRDZJFNRYFQ-SECBINFHSA-N 1 0 259.331 -1.511 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C(N)=O)C1CCCC1 ZINC001324497347 884674437 /nfs/dbraw/zinc/67/44/37/884674437.db2.gz JMJVWVMYJFTTGJ-NSHDSACASA-N 1 0 294.355 -1.514 20 30 CAEDRO C=C[C@@H](COC)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001324578172 884678804 /nfs/dbraw/zinc/67/88/04/884678804.db2.gz QUBSFEUDRDNCKL-RYUDHWBXSA-N 1 0 298.387 -1.334 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001324777912 884689542 /nfs/dbraw/zinc/68/95/42/884689542.db2.gz XYSVBYCJYHHMAA-YGRLFVJLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C[C@@]1(C[NH2+]CC(=O)NCC#N)CCN(C(=O)C(N)=O)C1 ZINC001324776877 884691068 /nfs/dbraw/zinc/69/10/68/884691068.db2.gz RFVZYIHYNXJDOK-LBPRGKRZSA-N 1 0 281.316 -2.060 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001324777909 884692020 /nfs/dbraw/zinc/69/20/20/884692020.db2.gz XYSVBYCJYHHMAA-QMTHXVAHSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)Cn2cnnn2)CCOCC1 ZINC001324984720 884698498 /nfs/dbraw/zinc/69/84/98/884698498.db2.gz ZDJCXERLEJUFTB-UHFFFAOYSA-N 1 0 278.316 -1.439 20 30 CAEDRO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001325064642 884704370 /nfs/dbraw/zinc/70/43/70/884704370.db2.gz BEJDIKYQFQIPLU-CYBMUJFWSA-N 1 0 283.328 -1.081 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325086344 884705704 /nfs/dbraw/zinc/70/57/04/884705704.db2.gz OOCAVVCVQZGWCL-GFCCVEGCSA-N 1 0 255.318 -1.009 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001325081471 884706805 /nfs/dbraw/zinc/70/68/05/884706805.db2.gz IKNXSXBZYVGJPO-ZWNOBZJWSA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001325082585 884707068 /nfs/dbraw/zinc/70/70/68/884707068.db2.gz NVFHMBAROKWPJT-JOYOIKCWSA-N 1 0 268.317 -1.771 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001325112949 884708662 /nfs/dbraw/zinc/70/86/62/884708662.db2.gz DGVSTKGIZWQURV-MFKMUULPSA-N 1 0 267.329 -1.316 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001325115271 884709009 /nfs/dbraw/zinc/70/90/09/884709009.db2.gz RGWPPHWDVBNXJV-AWEZNQCLSA-N 1 0 294.355 -2.396 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001325124509 884709619 /nfs/dbraw/zinc/70/96/19/884709619.db2.gz WPDRGXXJMGZQAH-MFKMUULPSA-N 1 0 280.328 -1.756 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001325122306 884709806 /nfs/dbraw/zinc/70/98/06/884709806.db2.gz FBEMYGJCSSAPJL-RISCZKNCSA-N 1 0 279.340 -1.349 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001325122307 884710396 /nfs/dbraw/zinc/71/03/96/884710396.db2.gz FBEMYGJCSSAPJL-SMDDNHRTSA-N 1 0 279.340 -1.349 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001325100665 884711638 /nfs/dbraw/zinc/71/16/38/884711638.db2.gz CAPRHEXZKRYINY-TVQRCGJNSA-N 1 0 294.311 -2.229 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001325153506 884715347 /nfs/dbraw/zinc/71/53/47/884715347.db2.gz LEMALLGESQKXFR-GXFFZTMASA-N 1 0 265.313 -1.549 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001325384289 884733542 /nfs/dbraw/zinc/73/35/42/884733542.db2.gz JHDMWBSOGRONOX-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001325845942 884743857 /nfs/dbraw/zinc/74/38/57/884743857.db2.gz GIJNMPJLJVEMOL-GXFFZTMASA-N 1 0 282.344 -1.203 20 30 CAEDRO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001325845947 884744111 /nfs/dbraw/zinc/74/41/11/884744111.db2.gz GIJNMPJLJVEMOL-ZWNOBZJWSA-N 1 0 282.344 -1.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)CC ZINC001325957003 884751153 /nfs/dbraw/zinc/75/11/53/884751153.db2.gz WWKHBSUUXKBQCF-UHFFFAOYSA-N 1 0 255.318 -1.444 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H](C)NC(C)=O ZINC001325969605 884752093 /nfs/dbraw/zinc/75/20/93/884752093.db2.gz QZTAQYICJLGGJG-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[C@@H]1C ZINC001325971539 884753927 /nfs/dbraw/zinc/75/39/27/884753927.db2.gz KQZUJQQZZILQBN-RYUDHWBXSA-N 1 0 281.356 -1.198 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)Cn1cccn1 ZINC001325981266 884755829 /nfs/dbraw/zinc/75/58/29/884755829.db2.gz YHZPZOZANMGOJJ-UHFFFAOYSA-N 1 0 294.355 -1.057 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1ncn(C)n1 ZINC001326012893 884755972 /nfs/dbraw/zinc/75/59/72/884755972.db2.gz XESKEUYKBQVUDF-UHFFFAOYSA-N 1 0 251.290 -1.528 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[C@H]1C ZINC001325971536 884757230 /nfs/dbraw/zinc/75/72/30/884757230.db2.gz KQZUJQQZZILQBN-NEPJUHHUSA-N 1 0 281.356 -1.198 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cnn(CC)n1 ZINC001326020456 884759031 /nfs/dbraw/zinc/75/90/31/884759031.db2.gz BKAXFAPJIHIHAQ-UHFFFAOYSA-N 1 0 265.317 -1.045 20 30 CAEDRO CCNC(=O)C[NH2+]CCN(CCO)C(=O)C#CC1CC1 ZINC001326022086 884759671 /nfs/dbraw/zinc/75/96/71/884759671.db2.gz OIEMYVSNKITYNG-UHFFFAOYSA-N 1 0 281.356 -1.054 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cc(=O)n(C)cn1 ZINC001326041466 884760093 /nfs/dbraw/zinc/76/00/93/884760093.db2.gz KNHNCZCGFKXUFH-UHFFFAOYSA-N 1 0 278.312 -1.562 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)Cn1ncnn1 ZINC001326020721 884760373 /nfs/dbraw/zinc/76/03/73/884760373.db2.gz BOWLVUOHWXOEDW-UHFFFAOYSA-N 1 0 252.278 -2.283 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001326070535 884764538 /nfs/dbraw/zinc/76/45/38/884764538.db2.gz PHIGAXQUYVSHPL-QWRGUYRKSA-N 1 0 267.329 -1.458 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])nn1 ZINC001326143081 884770782 /nfs/dbraw/zinc/77/07/82/884770782.db2.gz RHWKGRHSJCHHJW-SECBINFHSA-N 1 0 280.332 -1.114 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001326145883 884770921 /nfs/dbraw/zinc/77/09/21/884770921.db2.gz HADABJCIIUATRW-SNVBAGLBSA-N 1 0 296.327 -1.982 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001326160155 884771045 /nfs/dbraw/zinc/77/10/45/884771045.db2.gz SPNXNXJUXWPLSK-LBPRGKRZSA-N 1 0 296.371 -1.037 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CS(=O)(=O)C(C)C ZINC001326149024 884771296 /nfs/dbraw/zinc/77/12/96/884771296.db2.gz SPUDCHQDIGNIAH-UHFFFAOYSA-N 1 0 290.385 -1.147 20 30 CAEDRO CC1(C)NC(=O)N(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001326304946 884780642 /nfs/dbraw/zinc/78/06/42/884780642.db2.gz CJIQYQGNJGVOAT-YUMQZZPRSA-N 1 0 279.300 -1.455 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001326411831 884791188 /nfs/dbraw/zinc/79/11/88/884791188.db2.gz BWWPNXBBTCITPT-LLVKDONJSA-N 1 0 293.323 -1.287 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC001326548489 884805733 /nfs/dbraw/zinc/80/57/33/884805733.db2.gz XFGZDYJBKUFUHL-ZJUUUORDSA-N 1 0 255.318 -1.006 20 30 CAEDRO N#Cc1ncn(CC(=O)NC[C@H]2C[NH2+]CCCO2)n1 ZINC001326628257 884817350 /nfs/dbraw/zinc/81/73/50/884817350.db2.gz VRGPXWXKSWEZID-SECBINFHSA-N 1 0 264.289 -1.356 20 30 CAEDRO N#Cc1ncn(CC(=O)NC[C@@H]2C[NH2+]CCCO2)n1 ZINC001326628259 884818078 /nfs/dbraw/zinc/81/80/78/884818078.db2.gz VRGPXWXKSWEZID-VIFPVBQESA-N 1 0 264.289 -1.356 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)CC(N)=O)CCC1 ZINC001326802669 884834148 /nfs/dbraw/zinc/83/41/48/884834148.db2.gz WYVJULFLUVZNPY-UHFFFAOYSA-N 1 0 280.328 -1.760 20 30 CAEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 ZINC001326906876 884846349 /nfs/dbraw/zinc/84/63/49/884846349.db2.gz OMKZSGULFPTQLD-DTWKUNHWSA-N 1 0 264.289 -1.276 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COC)CCO1 ZINC001326938641 884846100 /nfs/dbraw/zinc/84/61/00/884846100.db2.gz ZVUMHHQOJKRSDT-VXGBXAGGSA-N 1 0 297.355 -1.412 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)COC)CCO1 ZINC001326938640 884847182 /nfs/dbraw/zinc/84/71/82/884847182.db2.gz ZVUMHHQOJKRSDT-RYUDHWBXSA-N 1 0 297.355 -1.412 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001326958934 884849432 /nfs/dbraw/zinc/84/94/32/884849432.db2.gz TVYKLKAVADPIIA-NEPJUHHUSA-N 1 0 297.355 -1.106 20 30 CAEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CNC(=O)NC)CCO1 ZINC001326987529 884849715 /nfs/dbraw/zinc/84/97/15/884849715.db2.gz CURPWEFYCKURIT-JTQLQIEISA-N 1 0 270.333 -1.082 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001326972782 884849955 /nfs/dbraw/zinc/84/99/55/884849955.db2.gz ATXPGQOJCHJJBO-JTQLQIEISA-N 1 0 263.301 -1.121 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(=O)COC)CCO1 ZINC001326989731 884853258 /nfs/dbraw/zinc/85/32/58/884853258.db2.gz VSUFJXQCOWLEDK-LBPRGKRZSA-N 1 0 297.355 -1.459 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCO1 ZINC001326991347 884854218 /nfs/dbraw/zinc/85/42/18/884854218.db2.gz QNZVCRPQBSUIII-QWRGUYRKSA-N 1 0 288.369 -1.130 20 30 CAEDRO CN(C)C[C@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001327002747 884854494 /nfs/dbraw/zinc/85/44/94/884854494.db2.gz MENHQVMPOYOUIG-VXGBXAGGSA-N 1 0 258.366 -1.295 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 ZINC001327035339 884856162 /nfs/dbraw/zinc/85/61/62/884856162.db2.gz MYGDURKBQNOYQP-BXUZGUMPSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 ZINC001327035341 884856239 /nfs/dbraw/zinc/85/62/39/884856239.db2.gz MYGDURKBQNOYQP-RISCZKNCSA-N 1 0 279.340 -1.037 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001327036668 884856852 /nfs/dbraw/zinc/85/68/52/884856852.db2.gz VCPKKDBDTTZKJM-TUAOUCFPSA-N 1 0 297.355 -1.120 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC001327510670 884897391 /nfs/dbraw/zinc/89/73/91/884897391.db2.gz WQJQFDXIEDOKSM-UHFFFAOYSA-N 1 0 255.318 -1.052 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001327523194 884897566 /nfs/dbraw/zinc/89/75/66/884897566.db2.gz FWPGJPAGFSXCRC-JTQLQIEISA-N 1 0 271.317 -1.590 20 30 CAEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cnnn2)C1 ZINC001327545619 884901580 /nfs/dbraw/zinc/90/15/80/884901580.db2.gz JXWUWMPHPJPJOF-ZDUSSCGKSA-N 1 0 292.343 -1.361 20 30 CAEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2nnn(C)n2)C1 ZINC001327581424 884903478 /nfs/dbraw/zinc/90/34/78/884903478.db2.gz PWTMFSKVLAFKEH-ZDUSSCGKSA-N 1 0 292.343 -1.210 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC001327573386 884904181 /nfs/dbraw/zinc/90/41/81/884904181.db2.gz CDKRPMUQSAQXCJ-CYBMUJFWSA-N 1 0 292.383 -1.120 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC001327573387 884905734 /nfs/dbraw/zinc/90/57/34/884905734.db2.gz CDKRPMUQSAQXCJ-ZDUSSCGKSA-N 1 0 292.383 -1.120 20 30 CAEDRO CS(=O)(=O)NCCNC(=O)C#CC1CC[NH2+]CC1 ZINC001327596204 884910510 /nfs/dbraw/zinc/91/05/10/884910510.db2.gz FYCBOTNAJGZWON-UHFFFAOYSA-N 1 0 273.358 -1.345 20 30 CAEDRO N#CCNC(=O)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC001327819398 884927442 /nfs/dbraw/zinc/92/74/42/884927442.db2.gz QZAXTOWYYFMTFA-UHFFFAOYSA-N 1 0 251.290 -1.323 20 30 CAEDRO CC#CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327857520 884933670 /nfs/dbraw/zinc/93/36/70/884933670.db2.gz GUPJYRBIXZUHBS-UHFFFAOYSA-N 1 0 291.311 -1.213 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001327868927 884935325 /nfs/dbraw/zinc/93/53/25/884935325.db2.gz SBTYDZLPFALGPJ-UWVGGRQHSA-N 1 0 252.318 -1.015 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001327868928 884935549 /nfs/dbraw/zinc/93/55/49/884935549.db2.gz SBTYDZLPFALGPJ-VHSXEESVSA-N 1 0 252.318 -1.015 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001327924090 884940683 /nfs/dbraw/zinc/94/06/83/884940683.db2.gz JPHSFSZEJYVYKC-UWVGGRQHSA-N 1 0 290.327 -1.396 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])nn1 ZINC001327960075 884944690 /nfs/dbraw/zinc/94/46/90/884944690.db2.gz AMYFJWUZBHGJQI-SECBINFHSA-N 1 0 280.332 -1.066 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC001328381384 884979652 /nfs/dbraw/zinc/97/96/52/884979652.db2.gz VHGQBOONXIVBPX-ZJUUUORDSA-N 1 0 253.302 -1.429 20 30 CAEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001328166230 884953454 /nfs/dbraw/zinc/95/34/54/884953454.db2.gz JJLNXAHQUPONMC-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001328165680 884954764 /nfs/dbraw/zinc/95/47/64/884954764.db2.gz DKBIJZBBIUPJFA-UHFFFAOYSA-N 1 0 278.316 -1.751 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)CNS(=O)(=O)NC ZINC001328375772 884974549 /nfs/dbraw/zinc/97/45/49/884974549.db2.gz AXSSIWCHWMGMOT-JTQLQIEISA-N 1 0 290.389 -1.452 20 30 CAEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001328380783 884977838 /nfs/dbraw/zinc/97/78/38/884977838.db2.gz HWDNCZCGSPRWOX-RKDXNWHRSA-N 1 0 254.290 -1.539 20 30 CAEDRO COCC#CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001328421302 884983179 /nfs/dbraw/zinc/98/31/79/884983179.db2.gz GNTJWFSHRVPDHI-UHFFFAOYSA-N 1 0 267.329 -1.131 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001328523632 884994302 /nfs/dbraw/zinc/99/43/02/884994302.db2.gz WYFYYHHEBGJLEH-CIUDSAMLSA-N 1 0 251.290 -1.243 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001328523634 884995734 /nfs/dbraw/zinc/99/57/34/884995734.db2.gz WYFYYHHEBGJLEH-HLTSFMKQSA-N 1 0 251.290 -1.243 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001328523636 884997102 /nfs/dbraw/zinc/99/71/02/884997102.db2.gz WYFYYHHEBGJLEH-VGMNWLOBSA-N 1 0 251.290 -1.243 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001328840178 885027120 /nfs/dbraw/zinc/02/71/20/885027120.db2.gz JPDAGNRQVANLEF-CSMHCCOUSA-N 1 0 258.303 -2.094 20 30 CAEDRO C#CCOCCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001328859704 885030049 /nfs/dbraw/zinc/03/00/49/885030049.db2.gz WBVIKKXYXUPOAL-UHFFFAOYSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CC[NH2+]CC1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001328879839 885030463 /nfs/dbraw/zinc/03/04/63/885030463.db2.gz NXQNCXSKRNGNGE-UHFFFAOYSA-N 1 0 292.383 -1.122 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C(N)=O)C1 ZINC001328903810 885032688 /nfs/dbraw/zinc/03/26/88/885032688.db2.gz GEGVJPQIKLAJJP-IDKOKCKLSA-N 1 0 282.344 -1.353 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001328979033 885041832 /nfs/dbraw/zinc/04/18/32/885041832.db2.gz XZBPVIFUOZYWCF-QWRGUYRKSA-N 1 0 280.332 -1.194 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001329033626 885046584 /nfs/dbraw/zinc/04/65/84/885046584.db2.gz IRBWHLJJEANALT-UWVGGRQHSA-N 1 0 293.331 -2.095 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001329033627 885046610 /nfs/dbraw/zinc/04/66/10/885046610.db2.gz IRBWHLJJEANALT-VHSXEESVSA-N 1 0 293.331 -2.095 20 30 CAEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001329003500 885047098 /nfs/dbraw/zinc/04/70/98/885047098.db2.gz LSYLAVMPZDYMOK-SKDRFNHKSA-N 1 0 284.291 -1.445 20 30 CAEDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C[NH2+]1 ZINC001329014685 885048454 /nfs/dbraw/zinc/04/84/54/885048454.db2.gz QFNIFSJGXAIWGA-MXWKQRLJSA-N 1 0 280.328 -1.006 20 30 CAEDRO N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001329003497 885048950 /nfs/dbraw/zinc/04/89/50/885048950.db2.gz LSYLAVMPZDYMOK-BXKDBHETSA-N 1 0 284.291 -1.445 20 30 CAEDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C[NH2+]1 ZINC001329014687 885049026 /nfs/dbraw/zinc/04/90/26/885049026.db2.gz QFNIFSJGXAIWGA-VWYCJHECSA-N 1 0 280.328 -1.006 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001329036897 885050238 /nfs/dbraw/zinc/05/02/38/885050238.db2.gz OOKDFGASCMDZDS-NXEZZACHSA-N 1 0 292.343 -1.117 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC001329071255 885053195 /nfs/dbraw/zinc/05/31/95/885053195.db2.gz WJNYKHSHBXUUNN-UHFFFAOYSA-N 1 0 287.385 -1.097 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCCOCC[NH2+]C ZINC001329095971 885060666 /nfs/dbraw/zinc/06/06/66/885060666.db2.gz UIEYFCGJRYNEIB-LLVKDONJSA-N 1 0 283.328 -1.801 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329105659 885060773 /nfs/dbraw/zinc/06/07/73/885060773.db2.gz AZMNVUUAXAFGGV-YUMQZZPRSA-N 1 0 256.306 -1.743 20 30 CAEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001329114856 885063880 /nfs/dbraw/zinc/06/38/80/885063880.db2.gz KLIYOLHONYTOLT-LPEHRKFASA-N 1 0 266.301 -1.396 20 30 CAEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001329114855 885064246 /nfs/dbraw/zinc/06/42/46/885064246.db2.gz KLIYOLHONYTOLT-IVZWLZJFSA-N 1 0 266.301 -1.396 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329108966 885067164 /nfs/dbraw/zinc/06/71/64/885067164.db2.gz JFJWZPHVTJNDRY-SFYZADRCSA-N 1 0 254.290 -2.296 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001329127459 885068650 /nfs/dbraw/zinc/06/86/50/885068650.db2.gz REXWLJCSDCJDMM-SFYZADRCSA-N 1 0 299.356 -1.213 20 30 CAEDRO CNS(=O)(=O)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC001329143060 885069382 /nfs/dbraw/zinc/06/93/82/885069382.db2.gz RRDJTJBQJPQZAM-JTQLQIEISA-N 1 0 278.378 -1.668 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001329127458 885070472 /nfs/dbraw/zinc/07/04/72/885070472.db2.gz REXWLJCSDCJDMM-JGVFFNPUSA-N 1 0 299.356 -1.213 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CNC(=O)C1 ZINC001329226387 885079051 /nfs/dbraw/zinc/07/90/51/885079051.db2.gz YCDJHYNGUSUFJX-LLVKDONJSA-N 1 0 283.376 -1.380 20 30 CAEDRO C[NH+]1CCN(CCCS(=O)(=O)NCC#CCO)CC1 ZINC001329422108 885100136 /nfs/dbraw/zinc/10/01/36/885100136.db2.gz JJBGJWZACRSTQN-UHFFFAOYSA-N 1 0 289.401 -1.461 20 30 CAEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001329443176 885103527 /nfs/dbraw/zinc/10/35/27/885103527.db2.gz XGEXQEVHCNTIBR-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CCCCNC(=O)C(=O)NCCOCCC[NH3+] ZINC001329449453 885104666 /nfs/dbraw/zinc/10/46/66/885104666.db2.gz ZLAFJGVGWLBYIW-UHFFFAOYSA-N 1 0 255.318 -1.002 20 30 CAEDRO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001329470151 885107112 /nfs/dbraw/zinc/10/71/12/885107112.db2.gz NZYFKEYCARYVGV-LBPRGKRZSA-N 1 0 286.307 -1.197 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001329570893 885117543 /nfs/dbraw/zinc/11/75/43/885117543.db2.gz FKKRDGNBOWVAJB-SECBINFHSA-N 1 0 294.311 -1.523 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001329605997 885120394 /nfs/dbraw/zinc/12/03/94/885120394.db2.gz BMNBSFLVSKWGNC-SECBINFHSA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001329592591 885120874 /nfs/dbraw/zinc/12/08/74/885120874.db2.gz RGIRIPAZRPBEOG-JTQLQIEISA-N 1 0 280.328 -1.050 20 30 CAEDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001329649522 885125445 /nfs/dbraw/zinc/12/54/45/885125445.db2.gz LVUIRVVVLMUXTN-NSHDSACASA-N 1 0 280.328 -1.243 20 30 CAEDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001329649521 885127049 /nfs/dbraw/zinc/12/70/49/885127049.db2.gz LVUIRVVVLMUXTN-LLVKDONJSA-N 1 0 280.328 -1.243 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC001329701011 885134306 /nfs/dbraw/zinc/13/43/06/885134306.db2.gz DOYTZQFQZCDOHZ-IJLUTSLNSA-N 1 0 257.334 -1.068 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC001329946593 885160366 /nfs/dbraw/zinc/16/03/66/885160366.db2.gz VCBZQWWJXUYBRD-RUETXSTFSA-N 1 0 278.312 -1.313 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330008577 885166158 /nfs/dbraw/zinc/16/61/58/885166158.db2.gz NARFMIVQSSWMAS-JTQLQIEISA-N 1 0 271.317 -1.590 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330008579 885166883 /nfs/dbraw/zinc/16/68/83/885166883.db2.gz NARFMIVQSSWMAS-SNVBAGLBSA-N 1 0 271.317 -1.590 20 30 CAEDRO N#CCNC(=O)CNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001330099883 885176014 /nfs/dbraw/zinc/17/60/14/885176014.db2.gz RVXXXLVPOVRZOM-NSHDSACASA-N 1 0 295.343 -1.258 20 30 CAEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001330197887 885182597 /nfs/dbraw/zinc/18/25/97/885182597.db2.gz HQSGNKNLTZQEBH-SNVBAGLBSA-N 1 0 284.316 -1.829 20 30 CAEDRO C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001330403163 885192256 /nfs/dbraw/zinc/19/22/56/885192256.db2.gz KQRBCCCDOAZQHF-VXGBXAGGSA-N 1 0 292.343 -1.098 20 30 CAEDRO C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001330403155 885192704 /nfs/dbraw/zinc/19/27/04/885192704.db2.gz KQRBCCCDOAZQHF-NEPJUHHUSA-N 1 0 292.343 -1.098 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001330380466 885193132 /nfs/dbraw/zinc/19/31/32/885193132.db2.gz FRYFPRHGWQDSAK-MNOVXSKESA-N 1 0 285.344 -1.120 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC001330532916 885203989 /nfs/dbraw/zinc/20/39/89/885203989.db2.gz VDHDJIHRZHAQCE-DTWKUNHWSA-N 1 0 252.274 -1.785 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001330590506 885206510 /nfs/dbraw/zinc/20/65/10/885206510.db2.gz BGFARAHKUFFCSJ-JGVFFNPUSA-N 1 0 257.257 -1.034 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001330590505 885206757 /nfs/dbraw/zinc/20/67/57/885206757.db2.gz BGFARAHKUFFCSJ-HTQZYQBOSA-N 1 0 257.257 -1.034 20 30 CAEDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001330593872 885209081 /nfs/dbraw/zinc/20/90/81/885209081.db2.gz CYEAUMNAHUPPLO-VIFPVBQESA-N 1 0 268.317 -1.067 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001330600318 885209249 /nfs/dbraw/zinc/20/92/49/885209249.db2.gz ASZGRTVRROTBLB-CVZZAPKMSA-N 1 0 277.324 -1.203 20 30 CAEDRO COCC[N@H+](C)C[C@H](O)Cn1cc(CNCC#N)nn1 ZINC001330800106 885230147 /nfs/dbraw/zinc/23/01/47/885230147.db2.gz NJVOKTJBWIOSAD-LBPRGKRZSA-N 1 0 282.348 -1.170 20 30 CAEDRO C#CCN(C)CCOCCNC(=O)CS(C)(=O)=O ZINC001331102115 885248163 /nfs/dbraw/zinc/24/81/63/885248163.db2.gz FIIPMRGHUGIPNB-UHFFFAOYSA-N 1 0 276.358 -1.271 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001331141465 885253010 /nfs/dbraw/zinc/25/30/10/885253010.db2.gz UKLIACPXNOGLQA-NXEZZACHSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001331141467 885254660 /nfs/dbraw/zinc/25/46/60/885254660.db2.gz UKLIACPXNOGLQA-VHSXEESVSA-N 1 0 253.302 -1.300 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)nn1 ZINC001331170478 885261240 /nfs/dbraw/zinc/26/12/40/885261240.db2.gz TUWAHIYYVDTZSZ-ONGXEEELSA-N 1 0 290.327 -1.347 20 30 CAEDRO C#CC[NH2+]CCCOCCNC(=O)c1nnn(C)n1 ZINC001331236446 885268318 /nfs/dbraw/zinc/26/83/18/885268318.db2.gz CTGJKVSRDWZGEF-UHFFFAOYSA-N 1 0 266.305 -1.431 20 30 CAEDRO N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC001331382580 885275324 /nfs/dbraw/zinc/27/53/24/885275324.db2.gz WWUZLMNQFDEEJI-IUCAKERBSA-N 1 0 261.289 -1.095 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001331377577 885276447 /nfs/dbraw/zinc/27/64/47/885276447.db2.gz RWJPWSBMKWPFOS-NXEZZACHSA-N 1 0 297.359 -1.413 20 30 CAEDRO C[C@H](CN(C)C(=O)C1=COCCO1)[NH2+]CC(=O)NCC#N ZINC001331376488 885276678 /nfs/dbraw/zinc/27/66/78/885276678.db2.gz LNWWNPXLKRHVGJ-SNVBAGLBSA-N 1 0 296.327 -1.049 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC001331488731 885280991 /nfs/dbraw/zinc/28/09/91/885280991.db2.gz PQPVEAICGXKIPN-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001331544823 885287413 /nfs/dbraw/zinc/28/74/13/885287413.db2.gz RDPCPBSUPJIOKH-SNVBAGLBSA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(N)=O ZINC001331542894 885288476 /nfs/dbraw/zinc/28/84/76/885288476.db2.gz ISPPMVAUNBNPJX-BDAKNGLRSA-N 1 0 270.333 -1.401 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CNC(C)=O ZINC001331661670 885299093 /nfs/dbraw/zinc/29/90/93/885299093.db2.gz CGWYGAAZQNMLOB-JTQLQIEISA-N 1 0 284.316 -3.061 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001331738830 885328979 /nfs/dbraw/zinc/32/89/79/885328979.db2.gz DLLFFPVVDXKWEJ-VHSXEESVSA-N 1 0 274.342 -1.879 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CNC(C)=O ZINC001331663415 885305928 /nfs/dbraw/zinc/30/59/28/885305928.db2.gz JAGSKTPPDGHHHK-ONGXEEELSA-N 1 0 298.343 -2.673 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC=CC1 ZINC001331682376 885307551 /nfs/dbraw/zinc/30/75/51/885307551.db2.gz HMVRRDTWBRFRBU-GFCCVEGCSA-N 1 0 279.340 -1.231 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NCC#N ZINC001331682368 885308546 /nfs/dbraw/zinc/30/85/46/885308546.db2.gz HMEQPPZKEKIAJD-WDEREUQCSA-N 1 0 297.359 -2.213 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cncs1 ZINC001331685037 885312666 /nfs/dbraw/zinc/31/26/66/885312666.db2.gz RIUPMTGFDHKFCW-SECBINFHSA-N 1 0 296.352 -1.427 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001331695397 885313981 /nfs/dbraw/zinc/31/39/81/885313981.db2.gz HIWUSSHPRWVUEP-VXGBXAGGSA-N 1 0 299.371 -1.076 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001331694538 885316860 /nfs/dbraw/zinc/31/68/60/885316860.db2.gz CRJCWVDTGVJUHN-LLVKDONJSA-N 1 0 257.334 -1.429 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001331704420 885319195 /nfs/dbraw/zinc/31/91/95/885319195.db2.gz FZIUGHCHIOXYLF-NXEZZACHSA-N 1 0 255.318 -1.270 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001331725213 885321236 /nfs/dbraw/zinc/32/12/36/885321236.db2.gz NHUQVCRJCWUWKS-QWRGUYRKSA-N 1 0 295.339 -1.386 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001331723115 885322745 /nfs/dbraw/zinc/32/27/45/885322745.db2.gz ACHHWZNYJMFVGW-VIFPVBQESA-N 1 0 262.331 -1.716 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1CCOCC1=O ZINC001331724648 885322838 /nfs/dbraw/zinc/32/28/38/885322838.db2.gz HHFIFONLKLIDCD-JTQLQIEISA-N 1 0 271.317 -1.902 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001331724548 885322920 /nfs/dbraw/zinc/32/29/20/885322920.db2.gz GJKNKHXKZDRCJV-SNVBAGLBSA-N 1 0 278.312 -1.021 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001331712784 885323346 /nfs/dbraw/zinc/32/33/46/885323346.db2.gz SPBOHVGBCMQWJH-SECBINFHSA-N 1 0 296.331 -1.980 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001331725208 885324268 /nfs/dbraw/zinc/32/42/68/885324268.db2.gz NHUQVCRJCWUWKS-GHMZBOCLSA-N 1 0 295.339 -1.386 20 30 CAEDRO C[NH2+]CCOCCNC(=O)NCCn1cnc(C#N)n1 ZINC001331731289 885325314 /nfs/dbraw/zinc/32/53/14/885325314.db2.gz RLKQOAVWWIGOAP-UHFFFAOYSA-N 1 0 281.320 -1.315 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001331738380 885325626 /nfs/dbraw/zinc/32/56/26/885325626.db2.gz HGLSEDKTJRQFCE-JTQLQIEISA-N 1 0 296.327 -1.246 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001331738828 885326784 /nfs/dbraw/zinc/32/67/84/885326784.db2.gz DLLFFPVVDXKWEJ-NXEZZACHSA-N 1 0 274.342 -1.879 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCN1C(=O)CCC1=O ZINC001331739994 885330021 /nfs/dbraw/zinc/33/00/21/885330021.db2.gz NFRYTWWQEOZJIW-SNVBAGLBSA-N 1 0 283.328 -1.222 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001331740119 885330078 /nfs/dbraw/zinc/33/00/78/885330078.db2.gz OGYATPXFAFTPGE-JTQLQIEISA-N 1 0 294.311 -1.961 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001331741677 885330396 /nfs/dbraw/zinc/33/03/96/885330396.db2.gz XANZMVSPKBTCAY-VIFPVBQESA-N 1 0 288.307 -1.110 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCN1CC ZINC001331741962 885330439 /nfs/dbraw/zinc/33/04/39/885330439.db2.gz ZFUTZSHKUSKIBP-STQMWFEESA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001331742212 885331475 /nfs/dbraw/zinc/33/14/75/885331475.db2.gz YAHGAIYZNPXJLC-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001331740130 885332141 /nfs/dbraw/zinc/33/21/41/885332141.db2.gz OGYATPXFAFTPGE-SNVBAGLBSA-N 1 0 294.311 -1.961 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001331742268 885332204 /nfs/dbraw/zinc/33/22/04/885332204.db2.gz YPHOWZLZHAXAHA-JTQLQIEISA-N 1 0 274.342 -1.879 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001331739576 885332444 /nfs/dbraw/zinc/33/24/44/885332444.db2.gz JYOOIALEARVCGW-QMMMGPOBSA-N 1 0 277.271 -1.542 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001331741675 885332683 /nfs/dbraw/zinc/33/26/83/885332683.db2.gz XANZMVSPKBTCAY-SECBINFHSA-N 1 0 288.307 -1.110 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001331742214 885333249 /nfs/dbraw/zinc/33/32/49/885333249.db2.gz YAHGAIYZNPXJLC-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001331755106 885337324 /nfs/dbraw/zinc/33/73/24/885337324.db2.gz WSDSQVZVWPMEAI-LLVKDONJSA-N 1 0 295.339 -1.529 20 30 CAEDRO C=C(Cl)CN[C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001331773367 885339193 /nfs/dbraw/zinc/33/91/93/885339193.db2.gz USQQVRVFJWDITP-RKDXNWHRSA-N 1 0 275.736 -1.058 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC001331761907 885339290 /nfs/dbraw/zinc/33/92/90/885339290.db2.gz LYEQKIMDEUXDNR-LLVKDONJSA-N 1 0 283.328 -1.671 20 30 CAEDRO C=C(Cl)CN[C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001331773365 885342590 /nfs/dbraw/zinc/34/25/90/885342590.db2.gz USQQVRVFJWDITP-DTWKUNHWSA-N 1 0 275.736 -1.058 20 30 CAEDRO N#Cc1ncn(CC(=O)NCC[N@H+]2CC[C@H](O)C2)n1 ZINC001331780787 885343700 /nfs/dbraw/zinc/34/37/00/885343700.db2.gz QKIATVPRVWSLRS-VIFPVBQESA-N 1 0 264.289 -1.667 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001331774758 885346825 /nfs/dbraw/zinc/34/68/25/885346825.db2.gz ONGKKIPGMQXWQS-MRVPVSSYSA-N 1 0 289.295 -1.023 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001331788070 885348574 /nfs/dbraw/zinc/34/85/74/885348574.db2.gz OZTWBDRYLDXBFV-BBBLOLIVSA-N 1 0 296.327 -3.076 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331791981 885349206 /nfs/dbraw/zinc/34/92/06/885349206.db2.gz YEBLRULAMIUMFG-SFYZADRCSA-N 1 0 270.289 -2.163 20 30 CAEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331792250 885349501 /nfs/dbraw/zinc/34/95/01/885349501.db2.gz ZWSJQANCGBZUFG-UWVGGRQHSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O)nc1 ZINC001331825792 885349868 /nfs/dbraw/zinc/34/98/68/885349868.db2.gz RIGLWEOHGBQZNF-KOLCDFICSA-N 1 0 290.323 -1.383 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001331827494 885351280 /nfs/dbraw/zinc/35/12/80/885351280.db2.gz ZFYDFYNHTGWOIV-JTQLQIEISA-N 1 0 296.327 -2.030 20 30 CAEDRO C=CCC1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CCOCC1 ZINC001331818233 885352498 /nfs/dbraw/zinc/35/24/98/885352498.db2.gz FMEXAFUROGOOBJ-NSHDSACASA-N 1 0 299.371 -1.089 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001331826932 885353426 /nfs/dbraw/zinc/35/34/26/885353426.db2.gz VTMBESXNEOZLIH-SECBINFHSA-N 1 0 264.285 -1.201 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001331843177 885355358 /nfs/dbraw/zinc/35/53/58/885355358.db2.gz UGGKZPYOSXVXAX-VIFPVBQESA-N 1 0 266.301 -1.963 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001331837617 885356720 /nfs/dbraw/zinc/35/67/20/885356720.db2.gz ZAYOIYHZTRGDRS-QWRGUYRKSA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)C(C)C ZINC001331835408 885357512 /nfs/dbraw/zinc/35/75/12/885357512.db2.gz MAORJYNYQHOYFN-LLVKDONJSA-N 1 0 290.385 -1.100 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCCN1C(=O)CNC1=O ZINC001331835737 885357968 /nfs/dbraw/zinc/35/79/68/885357968.db2.gz NOELVHNGDLPHMG-SNVBAGLBSA-N 1 0 296.327 -1.982 20 30 CAEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn[nH]n1 ZINC001331902564 885366440 /nfs/dbraw/zinc/36/64/40/885366440.db2.gz KMWPRACWIHBHPZ-DTWKUNHWSA-N 1 0 291.315 -1.363 20 30 CAEDRO C=CCn1cc(CNC(=O)N(CC[NH3+])CCO)nn1 ZINC001331951800 885368045 /nfs/dbraw/zinc/36/80/45/885368045.db2.gz WRMHCUHQTDGGGL-UHFFFAOYSA-N 1 0 268.321 -1.073 20 30 CAEDRO CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1[NH3+] ZINC001332000751 885373777 /nfs/dbraw/zinc/37/37/77/885373777.db2.gz MLLJODDQTIWXPR-VHSXEESVSA-N 1 0 280.328 -1.067 20 30 CAEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001332039009 885372768 /nfs/dbraw/zinc/37/27/68/885372768.db2.gz HTUUQIDIDGIYOK-CMPLNLGQSA-N 1 0 293.371 -1.009 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)[C@@H](C[NH3+])C1 ZINC001331980272 885372811 /nfs/dbraw/zinc/37/28/11/885372811.db2.gz GUYNYUYPRSYPHE-RYUDHWBXSA-N 1 0 293.371 -1.150 20 30 CAEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001332039011 885374434 /nfs/dbraw/zinc/37/44/34/885374434.db2.gz HTUUQIDIDGIYOK-JQWIXIFHSA-N 1 0 293.371 -1.009 20 30 CAEDRO CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1[NH3+] ZINC001332000750 885375401 /nfs/dbraw/zinc/37/54/01/885375401.db2.gz MLLJODDQTIWXPR-UWVGGRQHSA-N 1 0 280.328 -1.067 20 30 CAEDRO C#CCNC(=O)CN1CCCN(C(=O)CCC(N)=O)CC1 ZINC001332092053 885376184 /nfs/dbraw/zinc/37/61/84/885376184.db2.gz CSZQJTPAIDGKDV-UHFFFAOYSA-N 1 0 294.355 -1.464 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCN1C1CC1 ZINC001332115181 885378218 /nfs/dbraw/zinc/37/82/18/885378218.db2.gz BUWOGEFYCTXZTQ-CMPLNLGQSA-N 1 0 291.355 -1.255 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC001332119101 885381521 /nfs/dbraw/zinc/38/15/21/885381521.db2.gz IMBJNFBDWWTBKI-GUBZILKMSA-N 1 0 264.285 -1.690 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC001332302591 885395993 /nfs/dbraw/zinc/39/59/93/885395993.db2.gz OWOMRZJGIAWNSQ-UHFFFAOYSA-N 1 0 279.344 -1.620 20 30 CAEDRO CNC(NCCc1nnc2c(=O)n(C)ccn12)=[NH+]C ZINC001332377525 885405177 /nfs/dbraw/zinc/40/51/77/885405177.db2.gz RJWCOHGNPBKBCR-UHFFFAOYSA-N 1 0 263.305 -1.235 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCO1 ZINC001332462942 885410307 /nfs/dbraw/zinc/41/03/07/885410307.db2.gz SMJYDBQYHKZJHH-UWVGGRQHSA-N 1 0 266.301 -1.313 20 30 CAEDRO CC#CCN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001332446174 885410388 /nfs/dbraw/zinc/41/03/88/885410388.db2.gz HHFGFFZYZLMDPI-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CSCC#N)C(N)=O ZINC001332474105 885413135 /nfs/dbraw/zinc/41/31/35/885413135.db2.gz AZPLYJTYLGZMMC-DTWKUNHWSA-N 1 0 288.373 -1.474 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C1CC1 ZINC001332472947 885413214 /nfs/dbraw/zinc/41/32/14/885413214.db2.gz ZLVLIJSBCLTRCE-SNVBAGLBSA-N 1 0 268.317 -1.555 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001332474569 885413247 /nfs/dbraw/zinc/41/32/47/885413247.db2.gz GDIODLOGLWSQBE-JTQLQIEISA-N 1 0 266.305 -1.895 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001332488319 885413418 /nfs/dbraw/zinc/41/34/18/885413418.db2.gz DHIOVGFXVZYDFO-NWDGAFQWSA-N 1 0 299.371 -1.266 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C1CC1 ZINC001332472945 885413668 /nfs/dbraw/zinc/41/36/68/885413668.db2.gz ZLVLIJSBCLTRCE-JTQLQIEISA-N 1 0 268.317 -1.555 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001332474570 885413682 /nfs/dbraw/zinc/41/36/82/885413682.db2.gz GDIODLOGLWSQBE-SNVBAGLBSA-N 1 0 266.305 -1.895 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001332488317 885413946 /nfs/dbraw/zinc/41/39/46/885413946.db2.gz DHIOVGFXVZYDFO-NEPJUHHUSA-N 1 0 299.371 -1.266 20 30 CAEDRO CCC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001332472965 885414080 /nfs/dbraw/zinc/41/40/80/885414080.db2.gz ZOKDLXZKMXURLU-SECBINFHSA-N 1 0 256.306 -1.555 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001332504587 885415986 /nfs/dbraw/zinc/41/59/86/885415986.db2.gz OOZUAVNXQWPKBW-ZDUSSCGKSA-N 1 0 283.372 -1.249 20 30 CAEDRO C=CCn1nnnc1N(C)C[C@@H](O)CN1CCOCC1 ZINC001332490515 885416186 /nfs/dbraw/zinc/41/61/86/885416186.db2.gz WRRWOUYHSJOQSI-LLVKDONJSA-N 1 0 282.348 -1.012 20 30 CAEDRO C=CCn1nnnc1N(C)C[C@H](O)CN1CCOCC1 ZINC001332490516 885416523 /nfs/dbraw/zinc/41/65/23/885416523.db2.gz WRRWOUYHSJOQSI-NSHDSACASA-N 1 0 282.348 -1.012 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001332502182 885416559 /nfs/dbraw/zinc/41/65/59/885416559.db2.gz ASTHPADFXLPWCO-JTQLQIEISA-N 1 0 265.317 -1.139 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001332530221 885418518 /nfs/dbraw/zinc/41/85/18/885418518.db2.gz SJSQTFJGIQTEMU-VHSXEESVSA-N 1 0 276.358 -1.538 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001332530880 885418609 /nfs/dbraw/zinc/41/86/09/885418609.db2.gz XLXBHGKIIQSBFG-JTQLQIEISA-N 1 0 264.285 -1.162 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001332565721 885420817 /nfs/dbraw/zinc/42/08/17/885420817.db2.gz HBNXTCGINXDVPB-RISCZKNCSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001332565722 885420867 /nfs/dbraw/zinc/42/08/67/885420867.db2.gz HBNXTCGINXDVPB-SMDDNHRTSA-N 1 0 281.356 -1.055 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001332562141 885421444 /nfs/dbraw/zinc/42/14/44/885421444.db2.gz STOGOSMKEYWHSN-WDEREUQCSA-N 1 0 298.343 -2.274 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001332553768 885421568 /nfs/dbraw/zinc/42/15/68/885421568.db2.gz XUCUJZZQQIXPMY-MNOVXSKESA-N 1 0 282.344 -1.558 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)C1=O ZINC001332560870 885421612 /nfs/dbraw/zinc/42/16/12/885421612.db2.gz LWPYLTGMCUXZHO-ZJUUUORDSA-N 1 0 298.343 -2.333 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C(=O)NC)CCC1 ZINC001332592640 885423013 /nfs/dbraw/zinc/42/30/13/885423013.db2.gz SPZLKBAKNNTVNW-LLVKDONJSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001332602889 885427032 /nfs/dbraw/zinc/42/70/32/885427032.db2.gz SCLNGOGIXJKCPT-JTQLQIEISA-N 1 0 283.328 -1.270 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001332602435 885427108 /nfs/dbraw/zinc/42/71/08/885427108.db2.gz PPDAHRSGYGWKRQ-SNVBAGLBSA-N 1 0 278.312 -1.564 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001332665031 885429778 /nfs/dbraw/zinc/42/97/78/885429778.db2.gz PIOKGHRYFZVJAR-GFCCVEGCSA-N 1 0 294.359 -1.162 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332664643 885430932 /nfs/dbraw/zinc/43/09/32/885430932.db2.gz MMBAKMCTAUALCX-GFCCVEGCSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001332893392 885447183 /nfs/dbraw/zinc/44/71/83/885447183.db2.gz MIQIORVEQJYKOL-GFCCVEGCSA-N 1 0 253.302 -1.610 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001332891364 885447772 /nfs/dbraw/zinc/44/77/72/885447772.db2.gz AXWRHGXDBBVHDC-RISCZKNCSA-N 1 0 295.339 -1.841 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCC1(CO)COC1 ZINC001333039428 885453804 /nfs/dbraw/zinc/45/38/04/885453804.db2.gz AYJXGZHULJXVPQ-UHFFFAOYSA-N 1 0 286.376 -1.508 20 30 CAEDRO CN1CC[NH+]=C1NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001333041175 885454082 /nfs/dbraw/zinc/45/40/82/885454082.db2.gz WSYLAJZLMYSODM-SECBINFHSA-N 1 0 288.373 -1.429 20 30 CAEDRO C#CCNC(=O)CC[NH+]1CCC(C(=O)NCCO)CC1 ZINC001333037350 885454637 /nfs/dbraw/zinc/45/46/37/885454637.db2.gz ACTYUEDIJRTAHZ-UHFFFAOYSA-N 1 0 281.356 -1.054 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC([C@H](C)NC(=O)C(N)=O)CC1 ZINC001333000087 885454840 /nfs/dbraw/zinc/45/48/40/885454840.db2.gz XJPIHZFINGLVBH-JTQLQIEISA-N 1 0 294.355 -1.562 20 30 CAEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001333164945 885459605 /nfs/dbraw/zinc/45/96/05/885459605.db2.gz AIDPSOZEZDVCMN-PWSUYJOCSA-N 1 0 293.371 -1.091 20 30 CAEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001333164943 885459989 /nfs/dbraw/zinc/45/99/89/885459989.db2.gz AIDPSOZEZDVCMN-JQWIXIFHSA-N 1 0 293.371 -1.091 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1C1CC1 ZINC001333169039 885460827 /nfs/dbraw/zinc/46/08/27/885460827.db2.gz ZDIIBQQQOAFBJE-CMPLNLGQSA-N 1 0 291.355 -1.337 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC001333412210 885478222 /nfs/dbraw/zinc/47/82/22/885478222.db2.gz QDBXAQJBLIMUBQ-UHFFFAOYSA-N 1 0 293.371 -1.088 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001333547029 885491072 /nfs/dbraw/zinc/49/10/72/885491072.db2.gz CKGJGFLNFHFIBL-NSHDSACASA-N 1 0 285.344 -1.200 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1 ZINC001333596088 885494141 /nfs/dbraw/zinc/49/41/41/885494141.db2.gz LUBHIKURFXNKMM-MNOVXSKESA-N 1 0 280.328 -1.065 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CCOC3(C[NH2+]C3)C2)n1 ZINC001333753581 885502194 /nfs/dbraw/zinc/50/21/94/885502194.db2.gz IJFNMFJESBDELA-UHFFFAOYSA-N 1 0 262.273 -1.649 20 30 CAEDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001333979061 885517801 /nfs/dbraw/zinc/51/78/01/885517801.db2.gz IRPODWSYNKIJAX-LBPRGKRZSA-N 1 0 293.371 -1.089 20 30 CAEDRO CN1CCN(C(=O)Cn2cnc(C#N)n2)CC[N@H+](C)CC1 ZINC001334047369 885521373 /nfs/dbraw/zinc/52/13/73/885521373.db2.gz NLEJQUKLLVBXTN-UHFFFAOYSA-N 1 0 291.359 -1.144 20 30 CAEDRO CN(CC[N@H+](C)CCO)C(=O)Cn1cnc(C#N)n1 ZINC001334246218 885531206 /nfs/dbraw/zinc/53/12/06/885531206.db2.gz JQSOMSMAWQOUCP-UHFFFAOYSA-N 1 0 266.305 -1.468 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1C(=O)CNC1=O ZINC001334252540 885532441 /nfs/dbraw/zinc/53/24/41/885532441.db2.gz LLWWUABENSJGOB-UHFFFAOYSA-N 1 0 252.274 -1.781 20 30 CAEDRO CN1CCO[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1=O ZINC001334746376 885561992 /nfs/dbraw/zinc/56/19/92/885561992.db2.gz QBKOXYGBZJQDCM-SNVBAGLBSA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CC1(O)CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001334951487 885572665 /nfs/dbraw/zinc/57/26/65/885572665.db2.gz KJPHUWWMUJWYNL-NSHDSACASA-N 1 0 266.345 -1.378 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335184381 885588656 /nfs/dbraw/zinc/58/86/56/885588656.db2.gz NCZMZWPAOYCILZ-HBNTYKKESA-N 1 0 265.313 -1.239 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001335188355 885588891 /nfs/dbraw/zinc/58/88/91/885588891.db2.gz RMLPXCSQKWQMRN-LLVKDONJSA-N 1 0 299.396 -1.084 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001335222420 885597083 /nfs/dbraw/zinc/59/70/83/885597083.db2.gz MJPXIDGHZUHHAY-WDEREUQCSA-N 1 0 267.329 -1.004 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001335274918 885603582 /nfs/dbraw/zinc/60/35/82/885603582.db2.gz AWMPJHIBKONWEV-NXEZZACHSA-N 1 0 282.300 -2.158 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001335274921 885604078 /nfs/dbraw/zinc/60/40/78/885604078.db2.gz AWMPJHIBKONWEV-ZJUUUORDSA-N 1 0 282.300 -2.158 20 30 CAEDRO N#CC1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001335264315 885604290 /nfs/dbraw/zinc/60/42/90/885604290.db2.gz TYEMFLOUXIFMNW-UHFFFAOYSA-N 1 0 293.371 -1.230 20 30 CAEDRO CN(CC[NH3+])C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001335302174 885608561 /nfs/dbraw/zinc/60/85/61/885608561.db2.gz NANUVLSJMRKUMY-LLVKDONJSA-N 1 0 254.290 -1.455 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001335757397 885633620 /nfs/dbraw/zinc/63/36/20/885633620.db2.gz DSCJVHMCDIDNNU-NXEZZACHSA-N 1 0 253.302 -1.524 20 30 CAEDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001336295881 885655919 /nfs/dbraw/zinc/65/59/19/885655919.db2.gz RGMUQHSXLXPOFS-GWCFXTLKSA-N 1 0 298.318 -1.103 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCO1 ZINC001336300438 885655933 /nfs/dbraw/zinc/65/59/33/885655933.db2.gz NEQQVCTXRKZUCI-GWCFXTLKSA-N 1 0 280.328 -1.065 20 30 CAEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001336300921 885655941 /nfs/dbraw/zinc/65/59/41/885655941.db2.gz PXBAGSWQGUMGJB-MFKMUULPSA-N 1 0 280.328 -1.052 20 30 CAEDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001336295884 885656383 /nfs/dbraw/zinc/65/63/83/885656383.db2.gz RGMUQHSXLXPOFS-ZWNOBZJWSA-N 1 0 298.318 -1.103 20 30 CAEDRO C#CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001336768065 885682040 /nfs/dbraw/zinc/68/20/40/885682040.db2.gz SVQXXTNURHUPFN-UHFFFAOYSA-N 1 0 267.329 -1.131 20 30 CAEDRO Cn1cnn(CC(=O)NC2(C#N)CC[NH+](C)CC2)c1=O ZINC001337380368 885698543 /nfs/dbraw/zinc/69/85/43/885698543.db2.gz GQHKVPNFUZGDJQ-UHFFFAOYSA-N 1 0 278.316 -1.314 20 30 CAEDRO C[C@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)CC[NH2+]1 ZINC001337849414 885725839 /nfs/dbraw/zinc/72/58/39/885725839.db2.gz GGTGCYPCQSFBCJ-GWCFXTLKSA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001338279909 885735306 /nfs/dbraw/zinc/73/53/06/885735306.db2.gz NPWLNWUOJWSFNL-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001338355917 885742924 /nfs/dbraw/zinc/74/29/24/885742924.db2.gz QOVHMKLLFYDURP-NNYUYHANSA-N 1 0 277.324 -1.144 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001338355915 885743990 /nfs/dbraw/zinc/74/39/90/885743990.db2.gz QOVHMKLLFYDURP-IRCOFANPSA-N 1 0 277.324 -1.144 20 30 CAEDRO CNC(NCCC(=O)N[C@H]1CCS(=O)(=O)C1)=[NH+]C ZINC001338448112 885744915 /nfs/dbraw/zinc/74/49/15/885744915.db2.gz UINKUOPGUNWXTN-QMMMGPOBSA-N 1 0 276.362 -1.525 20 30 CAEDRO N#CCNC(=O)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001338519642 885748265 /nfs/dbraw/zinc/74/82/65/885748265.db2.gz NOJKWTSSBGGCIT-SNVBAGLBSA-N 1 0 266.301 -1.537 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC001340080922 885791661 /nfs/dbraw/zinc/79/16/61/885791661.db2.gz YNIHGTBRASXOKH-LLVKDONJSA-N 1 0 253.302 -1.427 20 30 CAEDRO CC#CCN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001340099645 885792316 /nfs/dbraw/zinc/79/23/16/885792316.db2.gz NPWNWPYBOUPYNQ-ZDUSSCGKSA-N 1 0 267.329 -1.220 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340215376 885797433 /nfs/dbraw/zinc/79/74/33/885797433.db2.gz JPOYGAHXXZWQDG-SECBINFHSA-N 1 0 280.328 -1.775 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC001340492933 885803806 /nfs/dbraw/zinc/80/38/06/885803806.db2.gz YFFJXQCESFDTDA-UHFFFAOYSA-N 1 0 273.358 -1.297 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CSCC(=O)N1 ZINC001341644458 885849121 /nfs/dbraw/zinc/84/91/21/885849121.db2.gz SQFFGMFLRGEHCW-PRJMDXOYSA-N 1 0 254.315 -1.554 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CSCC(=O)N1 ZINC001341644456 885850279 /nfs/dbraw/zinc/85/02/79/885850279.db2.gz SQFFGMFLRGEHCW-FXQIFTODSA-N 1 0 254.315 -1.554 20 30 CAEDRO COC[C@H]1C[NH2+]CCN1C(=O)Cn1cnc(C#N)n1 ZINC001341640072 885851015 /nfs/dbraw/zinc/85/10/15/885851015.db2.gz GSJHBWOPKQMQRU-SECBINFHSA-N 1 0 264.289 -1.403 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001341674840 885855122 /nfs/dbraw/zinc/85/51/22/885855122.db2.gz QBFQSIJXDLLGNS-GFCCVEGCSA-N 1 0 250.346 -1.285 20 30 CAEDRO C#CC[NH2+]CC(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC001343333919 885910917 /nfs/dbraw/zinc/91/09/17/885910917.db2.gz GNIZCHCPOALRCZ-NSHDSACASA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCn1ccc(=O)[nH]c1=O ZINC001343787153 885926611 /nfs/dbraw/zinc/92/66/11/885926611.db2.gz ORKJKSRXZBHVAZ-UHFFFAOYSA-N 1 0 250.258 -1.712 20 30 CAEDRO C[C@@H]1CN=C(NN=Cc2nccn2S(=O)(=O)N(C)C)N1 ZINC001343881527 885926755 /nfs/dbraw/zinc/92/67/55/885926755.db2.gz IIZXJXQVCUMVKZ-MRVPVSSYSA-N 1 0 299.360 -1.191 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnnn1C ZINC001343949595 885929768 /nfs/dbraw/zinc/92/97/68/885929768.db2.gz GRAICEVLQXNQJH-UHFFFAOYSA-N 1 0 278.316 -1.175 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C(=O)NC)CC1 ZINC001344042087 885932526 /nfs/dbraw/zinc/93/25/26/885932526.db2.gz BIHGZRNSOCJDGM-LLVKDONJSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCNC(=O)C1CC[NH+](CCS(N)(=O)=O)CC1 ZINC001344708323 885948015 /nfs/dbraw/zinc/94/80/15/885948015.db2.gz YUTYIFXXCSZOFF-UHFFFAOYSA-N 1 0 273.358 -1.264 20 30 CAEDRO C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 ZINC001344831245 885952835 /nfs/dbraw/zinc/95/28/35/885952835.db2.gz QTUGKKYULFQPPK-LLVKDONJSA-N 1 0 280.328 -1.052 20 30 CAEDRO C[NH2+]CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001345229539 885960168 /nfs/dbraw/zinc/96/01/68/885960168.db2.gz GEEKSVQMAFOUCY-PSASIEDQSA-N 1 0 257.315 -1.397 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NCCC[NH3+])nn1 ZINC001345594536 885962068 /nfs/dbraw/zinc/96/20/68/885962068.db2.gz FFSJCJAQSVTGAK-UHFFFAOYSA-N 1 0 266.305 -1.455 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001345632188 885967241 /nfs/dbraw/zinc/96/72/41/885967241.db2.gz GCACGSQGAHTIGL-JTQLQIEISA-N 1 0 283.332 -1.666 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC001345831578 885973478 /nfs/dbraw/zinc/97/34/78/885973478.db2.gz XDGYHQRLEGKKIQ-RQJHMYQMSA-N 1 0 251.246 -2.234 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001345831576 885974360 /nfs/dbraw/zinc/97/43/60/885974360.db2.gz XDGYHQRLEGKKIQ-NKWVEPMBSA-N 1 0 251.246 -2.234 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 ZINC001345987696 885977988 /nfs/dbraw/zinc/97/79/88/885977988.db2.gz FRAXKPUHDSPMPP-CYBMUJFWSA-N 1 0 280.328 -1.363 20 30 CAEDRO O=C(NCC#CCO)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001346044246 885980355 /nfs/dbraw/zinc/98/03/55/885980355.db2.gz KJBSWKUTZQBZQR-GXTWGEPZSA-N 1 0 297.355 -1.493 20 30 CAEDRO C[C@H](NC(=O)NCC#CCO)[C@H]1C[N@H+](C)CCN1C ZINC001346042759 885982347 /nfs/dbraw/zinc/98/23/47/885982347.db2.gz AYZPBLFPMQIZBX-NWDGAFQWSA-N 1 0 268.361 -1.084 20 30 CAEDRO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001346047810 885986437 /nfs/dbraw/zinc/98/64/37/885986437.db2.gz WFYZTKRUFLBLEX-WDEREUQCSA-N 1 0 295.343 -1.753 20 30 CAEDRO N#CCC(=O)N1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC001346424916 886003512 /nfs/dbraw/zinc/00/35/12/886003512.db2.gz HKSYALNUBDNREC-UHFFFAOYSA-N 1 0 293.327 -1.014 20 30 CAEDRO NC(=O)COCCNC(=O)C#CC1CC[NH2+]CC1 ZINC001347157896 886029251 /nfs/dbraw/zinc/02/92/51/886029251.db2.gz XTTGDNWHDLQOJW-UHFFFAOYSA-N 1 0 253.302 -1.393 20 30 CAEDRO COCC#CC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001347597116 886042835 /nfs/dbraw/zinc/04/28/35/886042835.db2.gz LWTWJHZTWCEULA-GXTWGEPZSA-N 1 0 282.340 -1.022 20 30 CAEDRO C=C(CO)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001348715420 886100041 /nfs/dbraw/zinc/10/00/41/886100041.db2.gz WHOYQGHUGYRZHI-LBPRGKRZSA-N 1 0 299.371 -1.170 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC001348724482 886100199 /nfs/dbraw/zinc/10/01/99/886100199.db2.gz SONYXYBTMZANBU-LBPRGKRZSA-N 1 0 297.355 -1.459 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001348715599 886101219 /nfs/dbraw/zinc/10/12/19/886101219.db2.gz YJSHMSKXPIRPKA-DCAQKATOSA-N 1 0 263.297 -1.580 20 30 CAEDRO N#CCCNC(=O)Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC001349112336 886113345 /nfs/dbraw/zinc/11/33/45/886113345.db2.gz JQRWGDMVKOKFTB-UHFFFAOYSA-N 1 0 275.312 -1.039 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001349169582 886115699 /nfs/dbraw/zinc/11/56/99/886115699.db2.gz ODYADWWBIGKLII-YIZRAAEISA-N 1 0 257.315 -1.351 20 30 CAEDRO C=CCn1cc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)nn1 ZINC001349130938 886116641 /nfs/dbraw/zinc/11/66/41/886116641.db2.gz HZYRDLBKDULMPR-NSHDSACASA-N 1 0 292.343 -1.052 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC2CC[NH2+]CC2)C1=O ZINC001349374325 886126432 /nfs/dbraw/zinc/12/64/32/886126432.db2.gz WZELCPXHMQEPMG-UHFFFAOYSA-N 1 0 294.311 -1.169 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349867994 886154439 /nfs/dbraw/zinc/15/44/39/886154439.db2.gz UBEIRMGTNPIKOZ-UTUOFQBUSA-N 1 0 251.330 -1.125 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001349867992 886154394 /nfs/dbraw/zinc/15/43/94/886154394.db2.gz UBEIRMGTNPIKOZ-TUAOUCFPSA-N 1 0 251.330 -1.125 20 30 CAEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001350395225 886170668 /nfs/dbraw/zinc/17/06/68/886170668.db2.gz VNSJBNMUROSSFB-BBBLOLIVSA-N 1 0 276.358 -1.185 20 30 CAEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(O)(CC#N)C1 ZINC001350728612 886183877 /nfs/dbraw/zinc/18/38/77/886183877.db2.gz ODCGEQXVEXOAII-MWLCHTKSSA-N 1 0 253.302 -1.072 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1C[NH3+] ZINC001350964744 886189136 /nfs/dbraw/zinc/18/91/36/886189136.db2.gz MHAUPJGDQOKZQJ-GMTAPVOTSA-N 1 0 280.328 -1.209 20 30 CAEDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001351983410 886236304 /nfs/dbraw/zinc/23/63/04/886236304.db2.gz QATPGXPGAGZTKB-LLVKDONJSA-N 1 0 279.344 -1.398 20 30 CAEDRO C#CCN(C(=O)C(=O)N(C)CCO)C1CC[NH+](C)CC1 ZINC001353088745 886258209 /nfs/dbraw/zinc/25/82/09/886258209.db2.gz YPDPDLAKTFAGTE-UHFFFAOYSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=C(C)COCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001353134172 886264033 /nfs/dbraw/zinc/26/40/33/886264033.db2.gz IWTDZJNILJKUMR-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001353135471 886264979 /nfs/dbraw/zinc/26/49/79/886264979.db2.gz XIWVVUPESPCEEA-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001353187457 886266232 /nfs/dbraw/zinc/26/62/32/886266232.db2.gz GWSDFGIMAASNHK-VPOLOUISSA-N 1 0 278.312 -1.254 20 30 CAEDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001353299273 886270721 /nfs/dbraw/zinc/27/07/21/886270721.db2.gz MJWPBRSYSYHPPO-GFCCVEGCSA-N 1 0 293.371 -1.089 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001353944212 886293915 /nfs/dbraw/zinc/29/39/15/886293915.db2.gz SBYHNDOSBKBDJP-QWRGUYRKSA-N 1 0 265.313 -1.203 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC001354241298 886307384 /nfs/dbraw/zinc/30/73/84/886307384.db2.gz IIFMLLUNDBYPOC-TUAOUCFPSA-N 1 0 292.339 -1.195 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001354988815 886329666 /nfs/dbraw/zinc/32/96/66/886329666.db2.gz CBKJUURYOBDBGN-NSHDSACASA-N 1 0 265.313 -1.379 20 30 CAEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001356090441 886354191 /nfs/dbraw/zinc/35/41/91/886354191.db2.gz KAHFPAOFHLZWKS-JOYOIKCWSA-N 1 0 268.317 -1.067 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC001356090787 886356958 /nfs/dbraw/zinc/35/69/58/886356958.db2.gz KCVPEUUTHJBVSH-UHIISALHSA-N 1 0 292.339 -1.195 20 30 CAEDRO N#C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC001356460625 886367766 /nfs/dbraw/zinc/36/77/66/886367766.db2.gz COPKLLHIODHYGS-MNOVXSKESA-N 1 0 280.328 -1.147 20 30 CAEDRO N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC001356460626 886368308 /nfs/dbraw/zinc/36/83/08/886368308.db2.gz COPKLLHIODHYGS-QWRGUYRKSA-N 1 0 280.328 -1.147 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001358415038 886427613 /nfs/dbraw/zinc/42/76/13/886427613.db2.gz MWIAPDDKESEISB-SNVBAGLBSA-N 1 0 274.342 -1.519 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1cnc(C#N)n1 ZINC001362282742 886578826 /nfs/dbraw/zinc/57/88/26/886578826.db2.gz GGGDBLSIYZVHPF-JTQLQIEISA-N 1 0 277.332 -1.488 20 30 CAEDRO N#Cc1ncn(CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)n1 ZINC001364277044 887054247 /nfs/dbraw/zinc/05/42/47/887054247.db2.gz TWHJCJHHALGDHO-JTQLQIEISA-N 1 0 293.331 -1.484 20 30 CAEDRO N#Cc1cccc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001365610765 887226961 /nfs/dbraw/zinc/22/69/61/887226961.db2.gz OZNXTWSVTCUFDY-PHIMTYICSA-N 1 0 273.296 -1.028 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001369117088 887521553 /nfs/dbraw/zinc/52/15/53/887521553.db2.gz KLLCPHXIBNHVRB-AATLWQCWSA-N 1 0 293.327 -1.365 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001369451831 887568156 /nfs/dbraw/zinc/56/81/56/887568156.db2.gz QSNNSWWHQQLZQW-NXEZZACHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001369449019 887568351 /nfs/dbraw/zinc/56/83/51/887568351.db2.gz IQPWUAYPHMGSFM-IUCAKERBSA-N 1 0 296.331 -1.823 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001369445999 887568555 /nfs/dbraw/zinc/56/85/55/887568555.db2.gz ADEDZPIHQZNQMP-KOLCDFICSA-N 1 0 280.332 -1.116 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001369448021 887568617 /nfs/dbraw/zinc/56/86/17/887568617.db2.gz UQRXDKITJDQBMW-VIFPVBQESA-N 1 0 288.739 -1.166 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001369448015 887570795 /nfs/dbraw/zinc/57/07/95/887570795.db2.gz UQRXDKITJDQBMW-SECBINFHSA-N 1 0 288.739 -1.166 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374592802 887803147 /nfs/dbraw/zinc/80/31/47/887803147.db2.gz FGOQZODGGYFXOE-RYUDHWBXSA-N 1 0 296.327 -1.426 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001374591003 887803570 /nfs/dbraw/zinc/80/35/70/887803570.db2.gz ORJYDBYIMRHUHX-MWLCHTKSSA-N 1 0 282.344 -1.166 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374592805 887804303 /nfs/dbraw/zinc/80/43/03/887804303.db2.gz FGOQZODGGYFXOE-VXGBXAGGSA-N 1 0 296.327 -1.426 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374597191 887808273 /nfs/dbraw/zinc/80/82/73/887808273.db2.gz WWUDJHDHFSFXQS-SNVBAGLBSA-N 1 0 279.300 -1.687 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001375485393 887878036 /nfs/dbraw/zinc/87/80/36/887878036.db2.gz TWJYLWYPDFCTAM-HLTSFMKQSA-N 1 0 281.316 -1.175 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001379166710 888094368 /nfs/dbraw/zinc/09/43/68/888094368.db2.gz HGWZMJWHPNNMPU-QMMMGPOBSA-N 1 0 284.765 -1.150 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001379166704 888095018 /nfs/dbraw/zinc/09/50/18/888095018.db2.gz HGWZMJWHPNNMPU-MRVPVSSYSA-N 1 0 284.765 -1.150 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379186479 888098912 /nfs/dbraw/zinc/09/89/12/888098912.db2.gz KODRKRUFGAHUBQ-SFYZADRCSA-N 1 0 282.304 -2.165 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379173984 888099262 /nfs/dbraw/zinc/09/92/62/888099262.db2.gz ATNWRCYMRFXSAD-SNVBAGLBSA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379186475 888100168 /nfs/dbraw/zinc/10/01/68/888100168.db2.gz KODRKRUFGAHUBQ-JGVFFNPUSA-N 1 0 282.304 -2.165 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001379199892 888102623 /nfs/dbraw/zinc/10/26/23/888102623.db2.gz REMWZLRSBNZKIE-YUMQZZPRSA-N 1 0 277.708 -1.086 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001379199882 888103253 /nfs/dbraw/zinc/10/32/53/888103253.db2.gz REMWZLRSBNZKIE-HTQZYQBOSA-N 1 0 277.708 -1.086 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001379760986 888170784 /nfs/dbraw/zinc/17/07/84/888170784.db2.gz JBYKKWBHEZJFIQ-JTQLQIEISA-N 1 0 293.327 -1.345 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C#N)c[nH]1 ZINC001379763593 888173559 /nfs/dbraw/zinc/17/35/59/888173559.db2.gz KWADBSYFRYPWFN-VIFPVBQESA-N 1 0 279.300 -1.606 20 30 CAEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001379771306 888174251 /nfs/dbraw/zinc/17/42/51/888174251.db2.gz QYXLQUNNJAVCLP-PSASIEDQSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001380071046 888191653 /nfs/dbraw/zinc/19/16/53/888191653.db2.gz ZIIGWMINZFLDIK-SFYZADRCSA-N 1 0 281.316 -1.032 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001382596269 888375218 /nfs/dbraw/zinc/37/52/18/888375218.db2.gz GEGYUIKHRHHXKV-UWVGGRQHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001384824724 888434323 /nfs/dbraw/zinc/43/43/23/888434323.db2.gz HYESHFLJYWNVEH-AXFHLTTASA-N 1 0 282.344 -1.214 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001389559469 888554596 /nfs/dbraw/zinc/55/45/96/888554596.db2.gz JZUNCJNSKTYTLR-APPZFPTMSA-N 1 0 281.316 -1.175 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001392363471 888684686 /nfs/dbraw/zinc/68/46/86/888684686.db2.gz COJSXOWJJPEDHE-SNVBAGLBSA-N 1 0 293.327 -1.297 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392387975 888691347 /nfs/dbraw/zinc/69/13/47/888691347.db2.gz FQXZFLVZGAJZNT-BDAKNGLRSA-N 1 0 290.751 -1.171 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766197 888735318 /nfs/dbraw/zinc/73/53/18/888735318.db2.gz IMMYFNIGUAOYBU-VXNVDRBHSA-N 1 0 281.316 -1.175 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766187 888735979 /nfs/dbraw/zinc/73/59/79/888735979.db2.gz IMMYFNIGUAOYBU-CBAPKCEASA-N 1 0 281.316 -1.175 20 30 CAEDRO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001393762370 888802484 /nfs/dbraw/zinc/80/24/84/888802484.db2.gz DLYMPIKGSNVZHL-SNVBAGLBSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H](C)C#N)CC1)C(N)=O ZINC001393764370 888804066 /nfs/dbraw/zinc/80/40/66/888804066.db2.gz KTPAKCCLLNHURP-VHSXEESVSA-N 1 0 282.344 -1.037 20 30 CAEDRO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001394584318 888847443 /nfs/dbraw/zinc/84/74/43/888847443.db2.gz XBPXYCLFKJIITJ-NXEZZACHSA-N 1 0 270.333 -1.263 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)c[nH]1 ZINC001394589829 888851497 /nfs/dbraw/zinc/85/14/97/888851497.db2.gz YQRDZVRLDSRFID-MNOVXSKESA-N 1 0 291.311 -1.545 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001394589223 888852174 /nfs/dbraw/zinc/85/21/74/888852174.db2.gz XNEPQZPIWRARBH-KWQFWETISA-N 1 0 293.327 -1.299 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)c[nH]1 ZINC001394589825 888854213 /nfs/dbraw/zinc/85/42/13/888854213.db2.gz YQRDZVRLDSRFID-GHMZBOCLSA-N 1 0 291.311 -1.545 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001394732801 888887619 /nfs/dbraw/zinc/88/76/19/888887619.db2.gz SNMAIEKMKSXDMZ-IUCAKERBSA-N 1 0 299.331 -1.989 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001397629808 888973551 /nfs/dbraw/zinc/97/35/51/888973551.db2.gz TWJYLWYPDFCTAM-IWSPIJDZSA-N 1 0 281.316 -1.175 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001398608224 889007093 /nfs/dbraw/zinc/00/70/93/889007093.db2.gz BDXTYDSACXDPMH-XHNCKOQMSA-N 1 0 281.316 -1.162 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001398608223 889007796 /nfs/dbraw/zinc/00/77/96/889007796.db2.gz BDXTYDSACXDPMH-HLTSFMKQSA-N 1 0 281.316 -1.162 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001399867048 889071371 /nfs/dbraw/zinc/07/13/71/889071371.db2.gz ZCYBLZOJWLDMTL-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001399867088 889072539 /nfs/dbraw/zinc/07/25/39/889072539.db2.gz ZCYBLZOJWLDMTL-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001401490057 889138946 /nfs/dbraw/zinc/13/89/46/889138946.db2.gz GPEIMWBJBASTCW-MNOVXSKESA-N 1 0 298.343 -1.928 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001401490061 889139505 /nfs/dbraw/zinc/13/95/05/889139505.db2.gz GPEIMWBJBASTCW-QWRGUYRKSA-N 1 0 298.343 -1.928 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001402268747 889212852 /nfs/dbraw/zinc/21/28/52/889212852.db2.gz TUMULLBWJHGNIU-YPMHNXCESA-N 1 0 292.343 -1.009 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H](C)C#N ZINC001402527324 889247459 /nfs/dbraw/zinc/24/74/59/889247459.db2.gz ABPFTODIWABVQO-NXEZZACHSA-N 1 0 270.333 -1.309 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001403652872 889331582 /nfs/dbraw/zinc/33/15/82/889331582.db2.gz IAQXTORCRHSNQC-NSHDSACASA-N 1 0 293.327 -1.345 20 30 CAEDRO CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001403680704 889342979 /nfs/dbraw/zinc/34/29/79/889342979.db2.gz LPUGVBPPDIGRLM-NXEZZACHSA-N 1 0 270.333 -1.261 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001405288195 889445937 /nfs/dbraw/zinc/44/59/37/889445937.db2.gz SBOGOUUWMYAVAJ-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C ZINC001405359184 889451984 /nfs/dbraw/zinc/45/19/84/889451984.db2.gz GQQGDWFSOBJOTO-VHSXEESVSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C ZINC001405359185 889452147 /nfs/dbraw/zinc/45/21/47/889452147.db2.gz GQQGDWFSOBJOTO-ZJUUUORDSA-N 1 0 270.333 -1.309 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001406178671 889479650 /nfs/dbraw/zinc/47/96/50/889479650.db2.gz FDOPSQMQNNVUPU-MRVPVSSYSA-N 1 0 274.712 -1.508 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001406197915 889482606 /nfs/dbraw/zinc/48/26/06/889482606.db2.gz AMGDSFUKGYJLIH-KOLCDFICSA-N 1 0 282.344 -1.261 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001406197889 889483054 /nfs/dbraw/zinc/48/30/54/889483054.db2.gz AMGDSFUKGYJLIH-GXSJLCMTSA-N 1 0 282.344 -1.261 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)c[nH]1 ZINC001406206564 889484906 /nfs/dbraw/zinc/48/49/06/889484906.db2.gz GKOVHFSWCTUQRF-MNOVXSKESA-N 1 0 291.311 -1.545 20 30 CAEDRO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001406208306 889485763 /nfs/dbraw/zinc/48/57/63/889485763.db2.gz IFAQDOSZWRTHHK-VHSXEESVSA-N 1 0 270.333 -1.263 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001406211763 889486164 /nfs/dbraw/zinc/48/61/64/889486164.db2.gz KRRUQILSUOTZGM-KWQFWETISA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001406273700 889502566 /nfs/dbraw/zinc/50/25/66/889502566.db2.gz KOSYGLDIMLVZJC-QJPTWQEYSA-N 1 0 294.355 -1.070 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001406515844 889526768 /nfs/dbraw/zinc/52/67/68/889526768.db2.gz KDWBCXXRBWHFHF-QMMMGPOBSA-N 1 0 298.796 -1.113 20 30 CAEDRO C[C@@H]([NH2+]CCN(CCO)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001407705981 889587926 /nfs/dbraw/zinc/58/79/26/889587926.db2.gz ZNKCPGDKGFXGEZ-SECBINFHSA-N 1 0 293.327 -1.216 20 30 CAEDRO C[C@H]([NH2+]CCN(CCO)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001407705985 889588604 /nfs/dbraw/zinc/58/86/04/889588604.db2.gz ZNKCPGDKGFXGEZ-VIFPVBQESA-N 1 0 293.327 -1.216 20 30 CAEDRO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001410593892 889686518 /nfs/dbraw/zinc/68/65/18/889686518.db2.gz LABINBUPXDERON-VXGBXAGGSA-N 1 0 296.327 -1.426 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001410599908 889690344 /nfs/dbraw/zinc/69/03/44/889690344.db2.gz ZJSLXWWOMZMXEB-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC001412933473 889913666 /nfs/dbraw/zinc/91/36/66/889913666.db2.gz VEJYWRSCRPAKMJ-WDEREUQCSA-N 1 0 290.327 -1.183 20 30 CAEDRO N#CC1(C[C@H](O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001413028169 889926898 /nfs/dbraw/zinc/92/68/98/889926898.db2.gz ORFUKGAMKLTZQY-IVZWLZJFSA-N 1 0 280.328 -1.440 20 30 CAEDRO CN(CCC#N)C(=O)CC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413021690 889928973 /nfs/dbraw/zinc/92/89/73/889928973.db2.gz BNLDMUVGOINTOQ-NXEZZACHSA-N 1 0 295.343 -1.733 20 30 CAEDRO CN(CCC#N)C(=O)CC[N@H+](C)CCS(N)(=O)=O ZINC001413066354 889937555 /nfs/dbraw/zinc/93/75/55/889937555.db2.gz YXZHEHYQYNAZJJ-UHFFFAOYSA-N 1 0 276.362 -1.031 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)n1 ZINC001413679340 890005286 /nfs/dbraw/zinc/00/52/86/890005286.db2.gz AGBUPTOPAIAKKS-SECBINFHSA-N 1 0 276.300 -1.261 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001418087727 890189991 /nfs/dbraw/zinc/18/99/91/890189991.db2.gz IPVSSQYZKXORSO-XSPKLOCKSA-N 1 0 281.316 -1.034 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001418087724 890190337 /nfs/dbraw/zinc/19/03/37/890190337.db2.gz IPVSSQYZKXORSO-BGZDPUMWSA-N 1 0 281.316 -1.034 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001418332783 890212940 /nfs/dbraw/zinc/21/29/40/890212940.db2.gz FYLAPHMPLKXKHB-DTWKUNHWSA-N 1 0 281.316 -1.221 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001418332781 890214041 /nfs/dbraw/zinc/21/40/41/890214041.db2.gz FYLAPHMPLKXKHB-BDAKNGLRSA-N 1 0 281.316 -1.221 20 30 CAEDRO COC[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001419137388 890307821 /nfs/dbraw/zinc/30/78/21/890307821.db2.gz ZCLVMUUYEHPJNV-OLZOCXBDSA-N 1 0 298.387 -1.113 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420100825 890383370 /nfs/dbraw/zinc/38/33/70/890383370.db2.gz HQKHATFOLNOLFS-SECBINFHSA-N 1 0 279.300 -1.687 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420112465 890391190 /nfs/dbraw/zinc/39/11/90/890391190.db2.gz PCMALCWUMYADFC-SCZZXKLOSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001420117195 890396229 /nfs/dbraw/zinc/39/62/29/890396229.db2.gz SPBZMPHTKSABRP-WCBMZHEXSA-N 1 0 293.327 -1.299 20 30 CAEDRO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)[nH]1 ZINC001421798209 890536690 /nfs/dbraw/zinc/53/66/90/890536690.db2.gz ZHSHEBJIXLMIOS-SNVBAGLBSA-N 1 0 291.311 -1.198 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)c1 ZINC001422288377 890568890 /nfs/dbraw/zinc/56/88/90/890568890.db2.gz POISDQMANFHZGH-VHSXEESVSA-N 1 0 291.311 -1.545 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001422366501 890582746 /nfs/dbraw/zinc/58/27/46/890582746.db2.gz ZUNZVQRBJRUIJD-YIZRAAEISA-N 1 0 275.736 -1.073 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001422366497 890585142 /nfs/dbraw/zinc/58/51/42/890585142.db2.gz ZUNZVQRBJRUIJD-HLTSFMKQSA-N 1 0 275.736 -1.073 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001423189326 890635250 /nfs/dbraw/zinc/63/52/50/890635250.db2.gz KJZMIJLHYCLOAF-UWVGGRQHSA-N 1 0 283.332 -1.762 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001423187331 890636010 /nfs/dbraw/zinc/63/60/10/890636010.db2.gz DGZDYVZKMWYVIB-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001423220223 890644844 /nfs/dbraw/zinc/64/48/44/890644844.db2.gz PKHFIOOTMYORHM-PSASIEDQSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001423220224 890645403 /nfs/dbraw/zinc/64/54/03/890645403.db2.gz PKHFIOOTMYORHM-SCZZXKLOSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001423220226 890648061 /nfs/dbraw/zinc/64/80/61/890648061.db2.gz PKHFIOOTMYORHM-WPRPVWTQSA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001424066753 890719824 /nfs/dbraw/zinc/71/98/24/890719824.db2.gz KJFQQPCZBXGIRF-GHMZBOCLSA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O ZINC001424066755 890719985 /nfs/dbraw/zinc/71/99/85/890719985.db2.gz KJFQQPCZBXGIRF-MNOVXSKESA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001425983980 890842028 /nfs/dbraw/zinc/84/20/28/890842028.db2.gz ROLVNTGDYBZXNS-GHMZBOCLSA-N 1 0 282.344 -1.213 20 30 CAEDRO N#Cc1ncn(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)n1 ZINC001434335309 891104230 /nfs/dbraw/zinc/10/42/30/891104230.db2.gz UAIUWLZIFZKPIY-WDEREUQCSA-N 1 0 290.327 -1.183 20 30 CAEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001437187358 891168465 /nfs/dbraw/zinc/16/84/65/891168465.db2.gz JMAVJCWKTHVCBB-MRVPVSSYSA-N 1 0 298.796 -1.113 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437695345 891187279 /nfs/dbraw/zinc/18/72/79/891187279.db2.gz IMSBUSDPGUVCJB-RKDXNWHRSA-N 1 0 281.316 -1.221 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437695327 891189075 /nfs/dbraw/zinc/18/90/75/891189075.db2.gz IMSBUSDPGUVCJB-DTWKUNHWSA-N 1 0 281.316 -1.221 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001438987145 891256276 /nfs/dbraw/zinc/25/62/76/891256276.db2.gz WYTYVOVECAJNMP-NSHDSACASA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001444307395 891571771 /nfs/dbraw/zinc/57/17/71/891571771.db2.gz QBDYYTJPRWESGV-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001444307387 891571797 /nfs/dbraw/zinc/57/17/97/891571797.db2.gz QBDYYTJPRWESGV-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001444307400 891571858 /nfs/dbraw/zinc/57/18/58/891571858.db2.gz QBDYYTJPRWESGV-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](NC(=O)Cn1cnc(C#N)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001444409680 891574585 /nfs/dbraw/zinc/57/45/85/891574585.db2.gz KVZAKXCLAHDMDN-QWRGUYRKSA-N 1 0 291.359 -1.100 20 30 CAEDRO C[C@@H](NC(=O)Cn1cnc(C#N)n1)[C@@H]1C[N@H+](C)CCN1C ZINC001444409679 891575475 /nfs/dbraw/zinc/57/54/75/891575475.db2.gz KVZAKXCLAHDMDN-MNOVXSKESA-N 1 0 291.359 -1.100 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@H](O)CNC(C)=O ZINC001445119091 891597698 /nfs/dbraw/zinc/59/76/98/891597698.db2.gz SFKAEIBCRHIVIH-NSHDSACASA-N 1 0 270.333 -1.165 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001445150741 891605800 /nfs/dbraw/zinc/60/58/00/891605800.db2.gz HTIODMYWQCWGAG-SNVBAGLBSA-N 1 0 293.327 -1.297 20 30 CAEDRO N#Cc1cc(C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)c[nH]1 ZINC001447282780 891720107 /nfs/dbraw/zinc/72/01/07/891720107.db2.gz LPZMWAJMQCGFDG-LLVKDONJSA-N 1 0 291.311 -1.198 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001448816063 891779692 /nfs/dbraw/zinc/77/96/92/891779692.db2.gz LABINBUPXDERON-NEPJUHHUSA-N 1 0 296.327 -1.426 20 30 CAEDRO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001448813158 891782456 /nfs/dbraw/zinc/78/24/56/891782456.db2.gz BQQWIWRJFFHLCR-NSHDSACASA-N 1 0 293.327 -1.297 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001448822138 891784730 /nfs/dbraw/zinc/78/47/30/891784730.db2.gz WFVWKPRVSSTKRA-JTQLQIEISA-N 1 0 293.327 -1.345 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001448822142 891785508 /nfs/dbraw/zinc/78/55/08/891785508.db2.gz WFVWKPRVSSTKRA-SNVBAGLBSA-N 1 0 293.327 -1.345 20 30 CAEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001449101760 891825757 /nfs/dbraw/zinc/82/57/57/891825757.db2.gz MAXZIXJNRJYHKK-WCBMZHEXSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCn1cnc(C#N)n1 ZINC001449133275 891830654 /nfs/dbraw/zinc/83/06/54/891830654.db2.gz UZEDVNVEODINCL-JOYOIKCWSA-N 1 0 278.316 -1.279 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001458016718 892115888 /nfs/dbraw/zinc/11/58/88/892115888.db2.gz DKNUNCJVUZVLQY-MNOVXSKESA-N 1 0 294.355 -1.165 20 30 CAEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC001460132926 892141801 /nfs/dbraw/zinc/14/18/01/892141801.db2.gz CRPWWCSQJNADRV-KXUCPTDWSA-N 1 0 263.297 -1.022 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001465507026 892204191 /nfs/dbraw/zinc/20/41/91/892204191.db2.gz XGJPIEVDAPBUSW-VIFPVBQESA-N 1 0 266.301 -1.133 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001465507025 892205328 /nfs/dbraw/zinc/20/53/28/892205328.db2.gz XGJPIEVDAPBUSW-SECBINFHSA-N 1 0 266.301 -1.133 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCCN1CCNC(=O)C1 ZINC001466785220 892236686 /nfs/dbraw/zinc/23/66/86/892236686.db2.gz QKEALLPXIVIZKZ-UHFFFAOYSA-N 1 0 254.334 -1.348 20 30 CAEDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC#CCO ZINC001471151760 892345595 /nfs/dbraw/zinc/34/55/95/892345595.db2.gz CWVCXWIPUILBMP-NSHDSACASA-N 1 0 282.344 -1.379 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001471630156 892361556 /nfs/dbraw/zinc/36/15/56/892361556.db2.gz LPUSLUSEKFPUDL-MNOVXSKESA-N 1 0 255.318 -1.454 20 30 CAEDRO C#CCN1CCN(C(=O)CN2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001473557367 892417315 /nfs/dbraw/zinc/41/73/15/892417315.db2.gz XUHNUBKYUMEITQ-UONOGXRCSA-N 1 0 295.383 -1.561 20 30 CAEDRO CNS(=O)(=O)N1CCN(CCOCCC#N)CC1 ZINC001473517106 892418710 /nfs/dbraw/zinc/41/87/10/892418710.db2.gz YLFMJNSLGWWXTD-UHFFFAOYSA-N 1 0 276.362 -1.002 20 30 CAEDRO C=CC[C@H](C(=O)OC)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001473643693 892421569 /nfs/dbraw/zinc/42/15/69/892421569.db2.gz VEWKYTSEUKBGHG-XHNCKOQMSA-N 1 0 269.301 -1.377 20 30 CAEDRO N#CC1(C[C@H](O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CCC1 ZINC001473642255 892422451 /nfs/dbraw/zinc/42/24/51/892422451.db2.gz ICMZWAMRUBMCQH-HBNTYKKESA-N 1 0 294.355 -1.050 20 30 CAEDRO C=CC[C@H](C(=O)OC)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001473643692 892422589 /nfs/dbraw/zinc/42/25/89/892422589.db2.gz VEWKYTSEUKBGHG-IWSPIJDZSA-N 1 0 269.301 -1.377 20 30 CAEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001473643691 892423920 /nfs/dbraw/zinc/42/39/20/892423920.db2.gz VEWKYTSEUKBGHG-HRDYMLBCSA-N 1 0 269.301 -1.377 20 30 CAEDRO C=CCCn1cc(CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)nn1 ZINC001474649566 892434397 /nfs/dbraw/zinc/43/43/97/892434397.db2.gz ITVCXYUBCUUTBV-PHIMTYICSA-N 1 0 292.343 -1.127 20 30 CAEDRO C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001475305456 892442096 /nfs/dbraw/zinc/44/20/96/892442096.db2.gz WYZHBWYMYZVBDI-UWVGGRQHSA-N 1 0 276.362 -1.005 20 30 CAEDRO CN(CCO)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001475669337 892444703 /nfs/dbraw/zinc/44/47/03/892444703.db2.gz RSDNBDFZKRZUFN-SNVBAGLBSA-N 1 0 292.361 -2.031 20 30 CAEDRO CCNS(=O)(=O)CCNC(=O)NCC#CC[NH+](C)C ZINC001477787829 892455737 /nfs/dbraw/zinc/45/57/37/892455737.db2.gz APCXXORUKFVCSF-UHFFFAOYSA-N 1 0 290.389 -1.210 20 30 CAEDRO CON(C)C(=O)CNC(=O)NCC#CC[NH+](C)C ZINC001478848144 892465698 /nfs/dbraw/zinc/46/56/98/892465698.db2.gz QFRFLEDGHUMKJP-UHFFFAOYSA-N 1 0 256.306 -1.130 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001479123392 892466927 /nfs/dbraw/zinc/46/69/27/892466927.db2.gz PWDAVTZWMYOAHV-NEPJUHHUSA-N 1 0 295.343 -1.358 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001479310646 892473555 /nfs/dbraw/zinc/47/35/55/892473555.db2.gz BUDQWZRKBVQLRX-AOOOYVTPSA-N 1 0 288.373 -1.842 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001479378319 892474976 /nfs/dbraw/zinc/47/49/76/892474976.db2.gz UNDVIGCYTXVPOC-HAQNSBGRSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCOCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001479357623 892475256 /nfs/dbraw/zinc/47/52/56/892475256.db2.gz MQQBXFSPHAWSQY-MGCOHNPYSA-N 1 0 298.343 -1.132 20 30 CAEDRO C#CCOCCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001479369042 892476355 /nfs/dbraw/zinc/47/63/55/892476355.db2.gz NHCJRJSNOBCPBW-XYPYZODXSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001479658716 892478303 /nfs/dbraw/zinc/47/83/03/892478303.db2.gz CZEZEEDDPNXAKY-NEPJUHHUSA-N 1 0 294.355 -1.414 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OCC ZINC001479539766 892478772 /nfs/dbraw/zinc/47/87/72/892478772.db2.gz GLCIGQATQORBPY-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001479650496 892478966 /nfs/dbraw/zinc/47/89/66/892478966.db2.gz PXEKGVHOXOQMJK-GFCCVEGCSA-N 1 0 292.343 -1.408 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1OCC ZINC001479532515 892479162 /nfs/dbraw/zinc/47/91/62/892479162.db2.gz PFOZESPXKVDBSL-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCC#N ZINC001479770756 892481794 /nfs/dbraw/zinc/48/17/94/892481794.db2.gz RBAJPCBGNAFVTH-NXEZZACHSA-N 1 0 297.315 -1.271 20 30 CAEDRO N#CCNC(=O)C[N@@H+](CCCNC(=O)C(N)=O)C1CC1 ZINC001479874919 892484783 /nfs/dbraw/zinc/48/47/83/892484783.db2.gz HQOCPCQLRBQFPR-UHFFFAOYSA-N 1 0 281.316 -1.918 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)Cn2cnnn2)CC1 ZINC001479916052 892486060 /nfs/dbraw/zinc/48/60/60/892486060.db2.gz DUJMVCHGFFMWBJ-UHFFFAOYSA-N 1 0 291.359 -1.570 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)CCNC(N)=O)CC1 ZINC001479922548 892486080 /nfs/dbraw/zinc/48/60/80/892486080.db2.gz DZGHYICEXYXHEX-UHFFFAOYSA-N 1 0 295.387 -1.198 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001479816216 892486645 /nfs/dbraw/zinc/48/66/45/892486645.db2.gz RKFYNVCMKVMLHP-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO COCC#CC[NH2+][C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001480022035 892494134 /nfs/dbraw/zinc/49/41/34/892494134.db2.gz UUDAVFHLKNSWCR-GFCCVEGCSA-N 1 0 292.343 -1.193 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001479970827 892495907 /nfs/dbraw/zinc/49/59/07/892495907.db2.gz TVHRZEFHDXANJE-RYUDHWBXSA-N 1 0 293.371 -1.232 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480044066 892497736 /nfs/dbraw/zinc/49/77/36/892497736.db2.gz NSFYBDPLDDTJTL-QMMMGPOBSA-N 1 0 267.289 -2.404 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001480044295 892498292 /nfs/dbraw/zinc/49/82/92/892498292.db2.gz SMGRSDMBHXVTCY-NXEZZACHSA-N 1 0 250.302 -1.215 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CNC(=O)C(N)=O)C1CC1 ZINC001480044063 892498842 /nfs/dbraw/zinc/49/88/42/892498842.db2.gz NSFYBDPLDDTJTL-MRVPVSSYSA-N 1 0 267.289 -2.404 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001480044297 892498936 /nfs/dbraw/zinc/49/89/36/892498936.db2.gz SMGRSDMBHXVTCY-UWVGGRQHSA-N 1 0 250.302 -1.215 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001480118025 892500181 /nfs/dbraw/zinc/50/01/81/892500181.db2.gz UBLYLXGCCYLEEN-RYUDHWBXSA-N 1 0 294.355 -1.420 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001480144851 892500873 /nfs/dbraw/zinc/50/08/73/892500873.db2.gz FSANPLMIQCXLOR-XYPYZODXSA-N 1 0 277.328 -1.158 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001480125939 892501192 /nfs/dbraw/zinc/50/11/92/892501192.db2.gz CJLCJMWCDCRWMZ-HAQNSBGRSA-N 1 0 289.339 -1.131 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001480146564 892501454 /nfs/dbraw/zinc/50/14/54/892501454.db2.gz XWXXUPMXHJZAHE-GUBZILKMSA-N 1 0 290.327 -1.207 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001480128179 892501889 /nfs/dbraw/zinc/50/18/89/892501889.db2.gz ZSUITNPPZRZJMK-MGCOHNPYSA-N 1 0 276.300 -1.100 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001480192447 892503760 /nfs/dbraw/zinc/50/37/60/892503760.db2.gz UOFYOQWKODEFSA-ZMLRMANQSA-N 1 0 294.355 -1.503 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001480163286 892504071 /nfs/dbraw/zinc/50/40/71/892504071.db2.gz VGPRTWLBDLHVDP-XYPYZODXSA-N 1 0 290.323 -1.203 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001480154725 892504223 /nfs/dbraw/zinc/50/42/23/892504223.db2.gz VOPAIGYLAHTDJN-GUBZILKMSA-N 1 0 293.327 -2.346 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001480262816 892506512 /nfs/dbraw/zinc/50/65/12/892506512.db2.gz WCQSOVAZMZBNKS-JTQLQIEISA-N 1 0 282.344 -1.398 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001480236185 892506728 /nfs/dbraw/zinc/50/67/28/892506728.db2.gz ZOVHFFGOBRVYKK-KXUCPTDWSA-N 1 0 278.312 -1.155 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001480219777 892507013 /nfs/dbraw/zinc/50/70/13/892507013.db2.gz COKWCJBYCPEYME-AEJSXWLSSA-N 1 0 250.302 -1.072 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001480227085 892508202 /nfs/dbraw/zinc/50/82/02/892508202.db2.gz YNEABDWVEGGHQB-TUAOUCFPSA-N 1 0 294.355 -1.373 20 30 CAEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001480216189 892508577 /nfs/dbraw/zinc/50/85/77/892508577.db2.gz PUPKQWDLZSMDQV-AOOOYVTPSA-N 1 0 290.389 -1.147 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001480434495 892514573 /nfs/dbraw/zinc/51/45/73/892514573.db2.gz WCRASRTVXOWQMT-VIFPVBQESA-N 1 0 289.357 -2.125 20 30 CAEDRO C[C@@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]CC(=O)NCC#N ZINC001480419557 892514741 /nfs/dbraw/zinc/51/47/41/892514741.db2.gz IUIKRRGURMASAW-JTQLQIEISA-N 1 0 291.311 -1.332 20 30 CAEDRO C[C@@H](CNC(=O)c1ccn[nH]1)[NH2+]CC(=O)NCC#N ZINC001480428919 892514801 /nfs/dbraw/zinc/51/48/01/892514801.db2.gz KNYRTQFCKZTQLH-QMMMGPOBSA-N 1 0 264.289 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)C#N ZINC001480436579 892514961 /nfs/dbraw/zinc/51/49/61/892514961.db2.gz SQWZJYDLWARYMF-ZJUUUORDSA-N 1 0 250.302 -1.010 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)C#N ZINC001480436578 892515934 /nfs/dbraw/zinc/51/59/34/892515934.db2.gz SQWZJYDLWARYMF-VHSXEESVSA-N 1 0 250.302 -1.010 20 30 CAEDRO C[C@H](CNC(=O)c1cc[n+]([O-])cc1)[NH2+]CC(=O)NCC#N ZINC001480419558 892516072 /nfs/dbraw/zinc/51/60/72/892516072.db2.gz IUIKRRGURMASAW-SNVBAGLBSA-N 1 0 291.311 -1.332 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001480464334 892521617 /nfs/dbraw/zinc/52/16/17/892521617.db2.gz RNGNPTGKBNRCCF-QMMMGPOBSA-N 1 0 264.289 -1.896 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001480473227 892521971 /nfs/dbraw/zinc/52/19/71/892521971.db2.gz UEOKOXVYJMZHDO-JTQLQIEISA-N 1 0 278.312 -1.726 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C#CC1CC1 ZINC001480458531 892522428 /nfs/dbraw/zinc/52/24/28/892522428.db2.gz XZMVFSVBKDWRKJ-SECBINFHSA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CCOCCC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001480459249 892523201 /nfs/dbraw/zinc/52/32/01/892523201.db2.gz JCTOTJRLHVAJBX-VHSXEESVSA-N 1 0 298.343 -1.296 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1CCCS1(=O)=O ZINC001480472694 892523428 /nfs/dbraw/zinc/52/34/28/892523428.db2.gz QQRVCLPEOFICGM-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001480488168 892523535 /nfs/dbraw/zinc/52/35/35/892523535.db2.gz FLJWFIAWDIBUQP-VIFPVBQESA-N 1 0 270.333 -1.481 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1[nH]nnc1C ZINC001480515247 892526597 /nfs/dbraw/zinc/52/65/97/892526597.db2.gz RYRLQKLZQXACMB-QMMMGPOBSA-N 1 0 278.316 -1.430 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cncn1C ZINC001480498049 892527386 /nfs/dbraw/zinc/52/73/86/892527386.db2.gz XWRGHEUIPRCBEU-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001480527156 892531070 /nfs/dbraw/zinc/53/10/70/892531070.db2.gz OTORFLWFWXETAJ-UWVGGRQHSA-N 1 0 268.317 -1.588 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001480588566 892533794 /nfs/dbraw/zinc/53/37/94/892533794.db2.gz JVUNOFPJDLPNEC-LLVKDONJSA-N 1 0 295.339 -1.121 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001480596276 892534055 /nfs/dbraw/zinc/53/40/55/892534055.db2.gz XRDSHNYAWFBDEJ-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001480562509 892535283 /nfs/dbraw/zinc/53/52/83/892535283.db2.gz SWZZXDUFKUYUKW-JTQLQIEISA-N 1 0 294.355 -1.644 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001480596271 892535073 /nfs/dbraw/zinc/53/50/73/892535073.db2.gz XRDSHNYAWFBDEJ-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001480613193 892537374 /nfs/dbraw/zinc/53/73/74/892537374.db2.gz CMHLYDYHFZFCOE-CABZTGNLSA-N 1 0 255.318 -1.011 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001480614038 892537851 /nfs/dbraw/zinc/53/78/51/892537851.db2.gz DVAKIXXMYHNGOD-QWRGUYRKSA-N 1 0 281.312 -1.065 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001480619887 892538272 /nfs/dbraw/zinc/53/82/72/892538272.db2.gz RROXTGIKCUBDAF-WDEREUQCSA-N 1 0 280.328 -1.492 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001480667357 892541694 /nfs/dbraw/zinc/54/16/94/892541694.db2.gz GRLZQVKJWKGPMC-NEPJUHHUSA-N 1 0 294.355 -1.562 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)CNC(C)=O ZINC001480836919 892544240 /nfs/dbraw/zinc/54/42/40/892544240.db2.gz FOPYRJGRGNBTQH-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)CNC(=O)OC ZINC001480752352 892544833 /nfs/dbraw/zinc/54/48/33/892544833.db2.gz QUQLEQQQWLNBNE-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1nnn(C)n1 ZINC001480784706 892544856 /nfs/dbraw/zinc/54/48/56/892544856.db2.gz CVGYLLYOUITNPC-SECBINFHSA-N 1 0 295.347 -1.390 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1nnn(C)n1 ZINC001480786199 892545969 /nfs/dbraw/zinc/54/59/69/892545969.db2.gz REFIUOUGMJPIEI-SECBINFHSA-N 1 0 293.331 -1.943 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001480794042 892546091 /nfs/dbraw/zinc/54/60/91/892546091.db2.gz UWSRKDRXVJPUJM-SECBINFHSA-N 1 0 294.311 -1.475 20 30 CAEDRO C=CC[N@@H+](C)CCNC(=O)CNS(=O)(=O)NC ZINC001480895156 892553397 /nfs/dbraw/zinc/55/33/97/892553397.db2.gz RIFIJAIQHCGMGH-UHFFFAOYSA-N 1 0 264.351 -1.726 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001480874617 892553876 /nfs/dbraw/zinc/55/38/76/892553876.db2.gz IQCBWODNOADHBN-QMMMGPOBSA-N 1 0 252.274 -1.734 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001480912430 892558836 /nfs/dbraw/zinc/55/88/36/892558836.db2.gz MLNPHIKQGXUSED-UHFFFAOYSA-N 1 0 267.329 -1.050 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001480915808 892562147 /nfs/dbraw/zinc/56/21/47/892562147.db2.gz GCEUZVVBGJKXPM-SECBINFHSA-N 1 0 261.347 -1.395 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001480915809 892564507 /nfs/dbraw/zinc/56/45/07/892564507.db2.gz GCEUZVVBGJKXPM-VIFPVBQESA-N 1 0 261.347 -1.395 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CNS(=O)(=O)CC ZINC001480977959 892567902 /nfs/dbraw/zinc/56/79/02/892567902.db2.gz WBJGATLNPKRVLN-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001481005293 892569305 /nfs/dbraw/zinc/56/93/05/892569305.db2.gz VNFSAMMKOUIMQU-NSHDSACASA-N 1 0 282.344 -1.562 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001481096323 892576650 /nfs/dbraw/zinc/57/66/50/892576650.db2.gz RAPYENUASBUPIK-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCO1 ZINC001481204530 892582484 /nfs/dbraw/zinc/58/24/84/892582484.db2.gz ZIKFUPUQJMVSPJ-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1COCCO1 ZINC001481208516 892582492 /nfs/dbraw/zinc/58/24/92/892582492.db2.gz CXUZYTGMGOIJOL-NSHDSACASA-N 1 0 283.328 -1.801 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)CS(C)(=O)=O ZINC001481211827 892582681 /nfs/dbraw/zinc/58/26/81/892582681.db2.gz QFBXUQSXDOOXAS-UHFFFAOYSA-N 1 0 276.358 -1.271 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)CS(C)(=O)=O ZINC001481211696 892582725 /nfs/dbraw/zinc/58/27/25/892582725.db2.gz MMYQDNZIKMZFEN-UHFFFAOYSA-N 1 0 289.357 -2.172 20 30 CAEDRO C#CCOCCC(=O)N(C)CC[NH2+]CC(=O)NC ZINC001481229310 892585653 /nfs/dbraw/zinc/58/56/53/892585653.db2.gz RFYBTMIOGSYIMV-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001481224365 892586866 /nfs/dbraw/zinc/58/68/66/892586866.db2.gz NXDPBMAUNYOHLF-UHFFFAOYSA-N 1 0 296.371 -1.185 20 30 CAEDRO C#CCOCCC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC ZINC001481229114 892588143 /nfs/dbraw/zinc/58/81/43/892588143.db2.gz OJUXYQVNMQRNFP-UHFFFAOYSA-N 1 0 298.343 -1.470 20 30 CAEDRO C#CCOCCC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481228700 892588272 /nfs/dbraw/zinc/58/82/72/892588272.db2.gz IIIDAEUNYYKZHL-UHFFFAOYSA-N 1 0 284.316 -1.731 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481226105 892588294 /nfs/dbraw/zinc/58/82/94/892588294.db2.gz VGCMWKGPYSXHLW-LBPRGKRZSA-N 1 0 286.332 -1.444 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1csnn1 ZINC001481262767 892589029 /nfs/dbraw/zinc/58/90/29/892589029.db2.gz KVUNQLZEHUCHQG-UHFFFAOYSA-N 1 0 281.341 -1.051 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCNC1=O ZINC001481243002 892589116 /nfs/dbraw/zinc/58/91/16/892589116.db2.gz CTUCVYUKAMDVTA-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CNS(=O)(=O)NC ZINC001481261304 892589159 /nfs/dbraw/zinc/58/91/59/892589159.db2.gz BMVZPTKOKANEIP-UHFFFAOYSA-N 1 0 262.335 -2.279 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCNC1=O ZINC001481243003 892590435 /nfs/dbraw/zinc/59/04/35/892590435.db2.gz CTUCVYUKAMDVTA-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001481247830 892590839 /nfs/dbraw/zinc/59/08/39/892590839.db2.gz LRBLSKVIOLOGSY-UHFFFAOYSA-N 1 0 268.317 -2.080 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)CCc1cn[nH]n1 ZINC001481281739 892594137 /nfs/dbraw/zinc/59/41/37/892594137.db2.gz YRKQBEVAYPYSSS-UHFFFAOYSA-N 1 0 292.343 -1.465 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001481309998 892597947 /nfs/dbraw/zinc/59/79/47/892597947.db2.gz MJOOHMGFPGRWHD-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC(=O)NCC#N)C1 ZINC001481638105 892618279 /nfs/dbraw/zinc/61/82/79/892618279.db2.gz DTGIVZMHCPCJIH-GFCCVEGCSA-N 1 0 293.371 -1.232 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)CNC(=O)OC ZINC001481794020 892626917 /nfs/dbraw/zinc/62/69/17/892626917.db2.gz LERBGUTVNJHGKT-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CC[NH2+][C@H](CC)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001481814558 892628447 /nfs/dbraw/zinc/62/84/47/892628447.db2.gz YERWQAOHLSANDX-SECBINFHSA-N 1 0 278.316 -1.505 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C(N)=O ZINC001481849829 892630278 /nfs/dbraw/zinc/63/02/78/892630278.db2.gz NXBHDPRJLFSODX-BDAKNGLRSA-N 1 0 270.333 -1.353 20 30 CAEDRO C#CC[NH2+][C@H](CC)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001481883158 892631420 /nfs/dbraw/zinc/63/14/20/892631420.db2.gz WNUJAKPFRJISIR-SECBINFHSA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)COC ZINC001482071318 892633446 /nfs/dbraw/zinc/63/34/46/892633446.db2.gz RSKFPGNKZJXURF-SNVBAGLBSA-N 1 0 255.318 -1.276 20 30 CAEDRO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]CC(=O)NCC#N ZINC001482095970 892633877 /nfs/dbraw/zinc/63/38/77/892633877.db2.gz DZSFVCPMFTVXPI-IUCAKERBSA-N 1 0 297.315 -1.924 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(N)=O ZINC001482139387 892636039 /nfs/dbraw/zinc/63/60/39/892636039.db2.gz UAWJPUJUWBWVNX-QMMMGPOBSA-N 1 0 254.290 -2.437 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001482097016 892636132 /nfs/dbraw/zinc/63/61/32/892636132.db2.gz NBJLVQMTTRAHDS-VHSXEESVSA-N 1 0 296.327 -1.814 20 30 CAEDRO C[C@H](CNC(=O)C(N)=O)C[NH2+]CC(=O)NCC#N ZINC001482138893 892636160 /nfs/dbraw/zinc/63/61/60/892636160.db2.gz LSLQECUKUONHFN-ZETCQYMHSA-N 1 0 255.278 -2.547 20 30 CAEDRO C[C@@H](CNC(=O)C(C)(C)C(N)=O)C[NH2+]CC(=O)NCC#N ZINC001482112494 892636214 /nfs/dbraw/zinc/63/62/14/892636214.db2.gz UPPUUPZTZKKIEM-SECBINFHSA-N 1 0 297.359 -1.520 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(N)=O ZINC001482139213 892636577 /nfs/dbraw/zinc/63/65/77/892636577.db2.gz QDJDCYHHAYMCKK-QMMMGPOBSA-N 1 0 256.306 -1.884 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)nn1 ZINC001482148082 892638720 /nfs/dbraw/zinc/63/87/20/892638720.db2.gz CYOTYWIZOGVSCF-VIFPVBQESA-N 1 0 280.332 -1.095 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001482153384 892638967 /nfs/dbraw/zinc/63/89/67/892638967.db2.gz SAUXSTZEXMRRQH-VHSXEESVSA-N 1 0 292.343 -1.102 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001482153385 892639386 /nfs/dbraw/zinc/63/93/86/892639386.db2.gz SAUXSTZEXMRRQH-ZJUUUORDSA-N 1 0 292.343 -1.102 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482160633 892639564 /nfs/dbraw/zinc/63/95/64/892639564.db2.gz ITJOXSBNCRUFDS-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001482153383 892639605 /nfs/dbraw/zinc/63/96/05/892639605.db2.gz SAUXSTZEXMRRQH-UWVGGRQHSA-N 1 0 292.343 -1.102 20 30 CAEDRO Cc1n[nH]nc1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001482316662 892644951 /nfs/dbraw/zinc/64/49/51/892644951.db2.gz MTCPZWSBPAKAAX-QMMMGPOBSA-N 1 0 293.331 -1.197 20 30 CAEDRO Cc1n[nH]nc1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001482316661 892645586 /nfs/dbraw/zinc/64/55/86/892645586.db2.gz MTCPZWSBPAKAAX-MRVPVSSYSA-N 1 0 293.331 -1.197 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001482369792 892648507 /nfs/dbraw/zinc/64/85/07/892648507.db2.gz PCYJIVSLEXHQKO-SECBINFHSA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C(N)=O ZINC001482495109 892649145 /nfs/dbraw/zinc/64/91/45/892649145.db2.gz PYDCFBFXJMMILT-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C(N)=O ZINC001482495115 892649338 /nfs/dbraw/zinc/64/93/38/892649338.db2.gz PYDCFBFXJMMILT-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cnon1 ZINC001482343544 892649382 /nfs/dbraw/zinc/64/93/82/892649382.db2.gz LWPYYNTZKFYURJ-VIFPVBQESA-N 1 0 279.300 -1.131 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001482355473 892649437 /nfs/dbraw/zinc/64/94/37/892649437.db2.gz VEGBLIUUSYXQCA-MNOVXSKESA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001482418731 892649710 /nfs/dbraw/zinc/64/97/10/892649710.db2.gz WJQHQAXOOUAMDO-QWRGUYRKSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cnon1 ZINC001482343542 892649740 /nfs/dbraw/zinc/64/97/40/892649740.db2.gz LWPYYNTZKFYURJ-SECBINFHSA-N 1 0 279.300 -1.131 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001482362117 892650222 /nfs/dbraw/zinc/65/02/22/892650222.db2.gz SXHUMQUFCZHBBJ-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1cnn(C)n1 ZINC001482345705 892650284 /nfs/dbraw/zinc/65/02/84/892650284.db2.gz WAGMPDCCPCVRMQ-SECBINFHSA-N 1 0 293.331 -1.495 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001482362114 892650320 /nfs/dbraw/zinc/65/03/20/892650320.db2.gz SXHUMQUFCZHBBJ-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccncc1 ZINC001482701008 892656052 /nfs/dbraw/zinc/65/60/52/892656052.db2.gz MLIQKTDAIXTYQB-GFCCVEGCSA-N 1 0 290.323 -1.489 20 30 CAEDRO CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001482630871 892656863 /nfs/dbraw/zinc/65/68/63/892656863.db2.gz CKEIYDMUIOXUMR-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001482689472 892657352 /nfs/dbraw/zinc/65/73/52/892657352.db2.gz ZUNFWUULHQMKTP-GHMZBOCLSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001482636119 892657382 /nfs/dbraw/zinc/65/73/82/892657382.db2.gz PUXYXRJXZHSDHZ-UHFFFAOYSA-N 1 0 292.339 -1.050 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001482688067 892657691 /nfs/dbraw/zinc/65/76/91/892657691.db2.gz QFYVFOJNOYXKQK-ZJUUUORDSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(C)=O ZINC001482703250 892659962 /nfs/dbraw/zinc/65/99/62/892659962.db2.gz UMLJNPCVJUOPON-KOLCDFICSA-N 1 0 298.343 -2.673 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001482705817 892660718 /nfs/dbraw/zinc/66/07/18/892660718.db2.gz OHDYJXANFSKQGC-GHMZBOCLSA-N 1 0 283.328 -2.019 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O ZINC001482703251 892660986 /nfs/dbraw/zinc/66/09/86/892660986.db2.gz UMLJNPCVJUOPON-MWLCHTKSSA-N 1 0 298.343 -2.673 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCn1cncn1 ZINC001482709414 892663818 /nfs/dbraw/zinc/66/38/18/892663818.db2.gz QFMXVUXTYWLIKP-LLVKDONJSA-N 1 0 265.317 -1.242 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001482710222 892663925 /nfs/dbraw/zinc/66/39/25/892663925.db2.gz VBKDGWJVVCTZBF-GHMZBOCLSA-N 1 0 298.343 -1.738 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCn1cncn1 ZINC001482709415 892664179 /nfs/dbraw/zinc/66/41/79/892664179.db2.gz QFMXVUXTYWLIKP-NSHDSACASA-N 1 0 265.317 -1.242 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)OC ZINC001482710556 892664199 /nfs/dbraw/zinc/66/41/99/892664199.db2.gz AKFISVDWDFHMHG-SECBINFHSA-N 1 0 257.290 -1.568 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccon1 ZINC001482711196 892667213 /nfs/dbraw/zinc/66/72/13/892667213.db2.gz KYQLCQDTTHKIFX-UWVGGRQHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccon1 ZINC001482710808 892668081 /nfs/dbraw/zinc/66/80/81/892668081.db2.gz GSRAOFBZRUGSRD-SECBINFHSA-N 1 0 282.300 -1.343 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccon1 ZINC001482711198 892668304 /nfs/dbraw/zinc/66/83/04/892668304.db2.gz KYQLCQDTTHKIFX-ZJUUUORDSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)/C(C)=C\C ZINC001482718624 892669697 /nfs/dbraw/zinc/66/96/97/892669697.db2.gz JWVGDUQDBMRGQV-GULOHRGCSA-N 1 0 267.329 -1.231 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001482716819 892670331 /nfs/dbraw/zinc/67/03/31/892670331.db2.gz QZJCYXFHUYGZFG-WDEREUQCSA-N 1 0 282.344 -1.165 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001482715362 892670365 /nfs/dbraw/zinc/67/03/65/892670365.db2.gz JQDNBLBAMUYFSK-DTWKUNHWSA-N 1 0 284.316 -2.934 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CC(N)=O ZINC001482716477 892670542 /nfs/dbraw/zinc/67/05/42/892670542.db2.gz WLKSYPVKVWEOLJ-VIFPVBQESA-N 1 0 257.290 -2.422 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC(N)=O ZINC001482715364 892671100 /nfs/dbraw/zinc/67/11/00/892671100.db2.gz JQDNBLBAMUYFSK-RKDXNWHRSA-N 1 0 284.316 -2.934 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482716988 892671134 /nfs/dbraw/zinc/67/11/34/892671134.db2.gz VGLZBVXJHAJILQ-VHSXEESVSA-N 1 0 268.317 -1.555 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482716987 892671701 /nfs/dbraw/zinc/67/17/01/892671701.db2.gz VGLZBVXJHAJILQ-UWVGGRQHSA-N 1 0 268.317 -1.555 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482716986 892671744 /nfs/dbraw/zinc/67/17/44/892671744.db2.gz VGLZBVXJHAJILQ-NXEZZACHSA-N 1 0 268.317 -1.555 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001482720239 892673474 /nfs/dbraw/zinc/67/34/74/892673474.db2.gz CGEQNONWQKPFLO-NWDGAFQWSA-N 1 0 297.355 -1.771 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001482721595 892674888 /nfs/dbraw/zinc/67/48/88/892674888.db2.gz LQGFZWZADAYZRF-IUCAKERBSA-N 1 0 256.306 -1.867 20 30 CAEDRO Cc1[nH]ccc1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001482719927 892674869 /nfs/dbraw/zinc/67/48/69/892674869.db2.gz WTXDAKMQLXYQMG-SNVBAGLBSA-N 1 0 293.327 -1.357 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001482720238 892675076 /nfs/dbraw/zinc/67/50/76/892675076.db2.gz CGEQNONWQKPFLO-NEPJUHHUSA-N 1 0 297.355 -1.771 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001482727724 892676209 /nfs/dbraw/zinc/67/62/09/892676209.db2.gz CVLJFJYPPAHZGS-NEPJUHHUSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001482727247 892676497 /nfs/dbraw/zinc/67/64/97/892676497.db2.gz NANQKXDEPGPCBI-DTWKUNHWSA-N 1 0 289.282 -1.542 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001482728986 892676672 /nfs/dbraw/zinc/67/66/72/892676672.db2.gz KAYZIYLGPBASMH-QWRGUYRKSA-N 1 0 256.302 -1.508 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001482729799 892677047 /nfs/dbraw/zinc/67/70/47/892677047.db2.gz QQYDBXSNTXPWIU-UWVGGRQHSA-N 1 0 271.317 -2.163 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001482729798 892677109 /nfs/dbraw/zinc/67/71/09/892677109.db2.gz QQYDBXSNTXPWIU-NXEZZACHSA-N 1 0 271.317 -2.163 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001482728988 892677519 /nfs/dbraw/zinc/67/75/19/892677519.db2.gz KAYZIYLGPBASMH-WDEREUQCSA-N 1 0 256.302 -1.508 20 30 CAEDRO CS(=O)(=O)CC[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001482728719 892677305 /nfs/dbraw/zinc/67/73/05/892677305.db2.gz MBGGNPMIXXYJHR-NSHDSACASA-N 1 0 288.369 -1.489 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001482728017 892677381 /nfs/dbraw/zinc/67/73/81/892677381.db2.gz RYSCQRZKANKUFY-NSHDSACASA-N 1 0 290.385 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001482727249 892677559 /nfs/dbraw/zinc/67/75/59/892677559.db2.gz NANQKXDEPGPCBI-RKDXNWHRSA-N 1 0 289.282 -1.542 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001482727738 892677849 /nfs/dbraw/zinc/67/78/49/892677849.db2.gz QUIVHXWUDSALRL-VIFPVBQESA-N 1 0 281.316 -1.608 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001482727248 892677966 /nfs/dbraw/zinc/67/79/66/892677966.db2.gz NANQKXDEPGPCBI-IUCAKERBSA-N 1 0 289.282 -1.542 20 30 CAEDRO CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C#CC2CC2)C1=O ZINC001482728982 892678023 /nfs/dbraw/zinc/67/80/23/892678023.db2.gz OANQFHBUYHBZEW-NWDGAFQWSA-N 1 0 279.340 -1.303 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001482734509 892679515 /nfs/dbraw/zinc/67/95/15/892679515.db2.gz KQGCIHGPWJSBOD-RYUDHWBXSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001482730736 892679781 /nfs/dbraw/zinc/67/97/81/892679781.db2.gz GDFFZLZPXIVELA-SECBINFHSA-N 1 0 294.315 -2.533 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001482736635 892680229 /nfs/dbraw/zinc/68/02/29/892680229.db2.gz YKURAGORLCGFNA-WDEREUQCSA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001482736630 892680771 /nfs/dbraw/zinc/68/07/71/892680771.db2.gz YKURAGORLCGFNA-GHMZBOCLSA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001482736633 892680851 /nfs/dbraw/zinc/68/08/51/892680851.db2.gz YKURAGORLCGFNA-QWRGUYRKSA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCNS(C)(=O)=O ZINC001482736265 892680908 /nfs/dbraw/zinc/68/09/08/892680908.db2.gz VQILSRHVLYOFRI-SECBINFHSA-N 1 0 277.346 -2.374 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001482737352 892681042 /nfs/dbraw/zinc/68/10/42/892681042.db2.gz KUDYAOGLZNNRRA-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC(OC)C1 ZINC001482739036 892682304 /nfs/dbraw/zinc/68/23/04/892682304.db2.gz FGXYEJDDLQSQGJ-CXQJBGSLSA-N 1 0 297.355 -1.773 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001482739090 892682363 /nfs/dbraw/zinc/68/23/63/892682363.db2.gz GCNLXWHDYZLKGP-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001482738151 892682478 /nfs/dbraw/zinc/68/24/78/892682478.db2.gz ALFBWVVXLKXJBF-GXFFZTMASA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001482739093 892682514 /nfs/dbraw/zinc/68/25/14/892682514.db2.gz GCNLXWHDYZLKGP-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001482738831 892682766 /nfs/dbraw/zinc/68/27/66/892682766.db2.gz CELGYIVTIDBWLM-LBPRGKRZSA-N 1 0 293.367 -1.007 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001482743374 892683140 /nfs/dbraw/zinc/68/31/40/892683140.db2.gz CHWNDMXTPQYIDB-SECBINFHSA-N 1 0 269.305 -2.166 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CC1CS(=O)(=O)C1 ZINC001482744656 892683171 /nfs/dbraw/zinc/68/31/71/892683171.db2.gz ZSFVWSXLLFHXQM-JTQLQIEISA-N 1 0 276.358 -1.326 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001482738152 892683369 /nfs/dbraw/zinc/68/33/69/892683369.db2.gz ALFBWVVXLKXJBF-MFKMUULPSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CN1CCCNC1=O ZINC001482747301 892685456 /nfs/dbraw/zinc/68/54/56/892685456.db2.gz JSCPSBAEQFRNIS-SNVBAGLBSA-N 1 0 270.333 -1.346 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CC1CS(=O)(=O)C1 ZINC001482744657 892685542 /nfs/dbraw/zinc/68/55/42/892685542.db2.gz ZSFVWSXLLFHXQM-SNVBAGLBSA-N 1 0 276.358 -1.326 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001482748306 892685718 /nfs/dbraw/zinc/68/57/18/892685718.db2.gz VHRPFCRPSVOCCX-JTQLQIEISA-N 1 0 294.311 -1.961 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001482745098 892686467 /nfs/dbraw/zinc/68/64/67/892686467.db2.gz JQWGUJGCQFSCLW-SSDOTTSWSA-N 1 0 265.260 -1.380 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001482748072 892686800 /nfs/dbraw/zinc/68/68/00/892686800.db2.gz SXUVDWFDWWZOOA-QWRGUYRKSA-N 1 0 288.369 -1.489 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN1CCCNC1=O ZINC001482747299 892686984 /nfs/dbraw/zinc/68/69/84/892686984.db2.gz JSCPSBAEQFRNIS-JTQLQIEISA-N 1 0 270.333 -1.346 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001482756165 892688455 /nfs/dbraw/zinc/68/84/55/892688455.db2.gz UNPICJPHPFRRJT-NSHDSACASA-N 1 0 295.343 -1.938 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482757998 892688481 /nfs/dbraw/zinc/68/84/81/892688481.db2.gz UPELTYZCXCQZFL-VHSXEESVSA-N 1 0 268.317 -1.900 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482757335 892688504 /nfs/dbraw/zinc/68/85/04/892688504.db2.gz HYFSHWAFYYJXHN-RKDXNWHRSA-N 1 0 254.290 -2.290 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482757332 892688551 /nfs/dbraw/zinc/68/85/51/892688551.db2.gz HYFSHWAFYYJXHN-BDAKNGLRSA-N 1 0 254.290 -2.290 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482757334 892688571 /nfs/dbraw/zinc/68/85/71/892688571.db2.gz HYFSHWAFYYJXHN-IUCAKERBSA-N 1 0 254.290 -2.290 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482758344 892688810 /nfs/dbraw/zinc/68/88/10/892688810.db2.gz YZEFAVXANHULIB-NXEZZACHSA-N 1 0 268.317 -1.900 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001482756164 892689366 /nfs/dbraw/zinc/68/93/66/892689366.db2.gz UNPICJPHPFRRJT-LLVKDONJSA-N 1 0 295.343 -1.938 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](F)C(C)C ZINC001482758886 892689718 /nfs/dbraw/zinc/68/97/18/892689718.db2.gz LNRRENPHENOGAT-PWSUYJOCSA-N 1 0 287.335 -1.203 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001482763915 892691543 /nfs/dbraw/zinc/69/15/43/892691543.db2.gz FUFKFVZJWUNQQS-QMMMGPOBSA-N 1 0 252.274 -1.561 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001482765868 892691575 /nfs/dbraw/zinc/69/15/75/892691575.db2.gz DIIQUAGZLAYYMV-LPEHRKFASA-N 1 0 271.317 -1.728 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001482774386 892694146 /nfs/dbraw/zinc/69/41/46/892694146.db2.gz ACZSHIYWEZXKFC-CMPLNLGQSA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001482774389 892694372 /nfs/dbraw/zinc/69/43/72/892694372.db2.gz ACZSHIYWEZXKFC-ZYHUDNBSSA-N 1 0 288.369 -1.346 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1conc1C ZINC001482768719 892694440 /nfs/dbraw/zinc/69/44/40/892694440.db2.gz ZVYBVHGHRZJZQD-SNVBAGLBSA-N 1 0 296.327 -1.034 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001482769009 892695721 /nfs/dbraw/zinc/69/57/21/892695721.db2.gz CXQAISZCFRGVGQ-WOPDTQHZSA-N 1 0 281.356 -1.022 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001482769512 892696064 /nfs/dbraw/zinc/69/60/64/892696064.db2.gz HALGFSBQHXFBNK-QWRGUYRKSA-N 1 0 294.359 -1.122 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001482768636 892696099 /nfs/dbraw/zinc/69/60/99/892696099.db2.gz WNNRDXWMVGUCMD-MFKMUULPSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001482778281 892697674 /nfs/dbraw/zinc/69/76/74/892697674.db2.gz LLVSPZGJYMDNTF-RKDXNWHRSA-N 1 0 296.331 -1.824 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001482781749 892702086 /nfs/dbraw/zinc/70/20/86/892702086.db2.gz KWVVWZSAOBGAGF-JTQLQIEISA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001482774705 892698839 /nfs/dbraw/zinc/69/88/39/892698839.db2.gz FPSLECWVVQNAGC-SNVBAGLBSA-N 1 0 283.328 -1.318 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001482774704 892699146 /nfs/dbraw/zinc/69/91/46/892699146.db2.gz FPSLECWVVQNAGC-JTQLQIEISA-N 1 0 283.328 -1.318 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001482778809 892699522 /nfs/dbraw/zinc/69/95/22/892699522.db2.gz RUPULDGTGAAJQI-VIFPVBQESA-N 1 0 267.289 -1.865 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001482782759 892701485 /nfs/dbraw/zinc/70/14/85/892701485.db2.gz IAPOTRVKGHLJDI-SNVBAGLBSA-N 1 0 298.343 -1.429 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCn1cnccc1=O ZINC001482781554 892701981 /nfs/dbraw/zinc/70/19/81/892701981.db2.gz RWFCPTXNXNPYHR-LLVKDONJSA-N 1 0 278.312 -1.667 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)C(C)C ZINC001482791410 892704981 /nfs/dbraw/zinc/70/49/81/892704981.db2.gz AWTWRSGDCPXOIN-JTQLQIEISA-N 1 0 276.358 -1.491 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001482786830 892705142 /nfs/dbraw/zinc/70/51/42/892705142.db2.gz BTHHYIIYQBAEIG-NSHDSACASA-N 1 0 290.323 -1.245 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001482786826 892705293 /nfs/dbraw/zinc/70/52/93/892705293.db2.gz BTHHYIIYQBAEIG-LLVKDONJSA-N 1 0 290.323 -1.245 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001482793050 892705327 /nfs/dbraw/zinc/70/53/27/892705327.db2.gz MRZHZGLMOXQTPY-ZJUUUORDSA-N 1 0 289.357 -2.232 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482790079 892705484 /nfs/dbraw/zinc/70/54/84/892705484.db2.gz UVEZWAGKZCGBTD-QWRGUYRKSA-N 1 0 283.328 -2.019 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CCC)NC(N)=O ZINC001482787469 892706017 /nfs/dbraw/zinc/70/60/17/892706017.db2.gz HWMMSNDMJDMBDL-VHSXEESVSA-N 1 0 270.333 -1.477 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001482792093 892706462 /nfs/dbraw/zinc/70/64/62/892706462.db2.gz DEHZLGHSEQTDKA-VIFPVBQESA-N 1 0 269.301 -1.612 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001482791287 892706658 /nfs/dbraw/zinc/70/66/58/892706658.db2.gz RQLNCXGNIWLONE-SNVBAGLBSA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(OC)ncnc1OC ZINC001482799525 892707994 /nfs/dbraw/zinc/70/79/94/892707994.db2.gz PTEZECQYGRTBLH-VIFPVBQESA-N 1 0 294.311 -1.193 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001482798249 892708323 /nfs/dbraw/zinc/70/83/23/892708323.db2.gz YNKDGWGZFLSTIG-VXGBXAGGSA-N 1 0 271.361 -1.040 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001482797262 892708441 /nfs/dbraw/zinc/70/84/41/892708441.db2.gz MTYIORNECNWJNF-VHSXEESVSA-N 1 0 274.342 -1.737 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001482797260 892708474 /nfs/dbraw/zinc/70/84/74/892708474.db2.gz MTYIORNECNWJNF-NXEZZACHSA-N 1 0 274.342 -1.737 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001482807295 892708544 /nfs/dbraw/zinc/70/85/44/892708544.db2.gz IOIPMIDCDYOLGC-ZJUUUORDSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CS(=O)(=O)CC ZINC001482799563 892709081 /nfs/dbraw/zinc/70/90/81/892709081.db2.gz QEOOLLHJANAZHD-SNVBAGLBSA-N 1 0 276.358 -1.489 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001482798247 892709149 /nfs/dbraw/zinc/70/91/49/892709149.db2.gz YNKDGWGZFLSTIG-NWDGAFQWSA-N 1 0 271.361 -1.040 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001482807292 892709328 /nfs/dbraw/zinc/70/93/28/892709328.db2.gz IOIPMIDCDYOLGC-NXEZZACHSA-N 1 0 297.359 -1.365 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001482799171 892709992 /nfs/dbraw/zinc/70/99/92/892709992.db2.gz NMUXFZSAWJGHEM-VIFPVBQESA-N 1 0 268.317 -1.410 20 30 CAEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001482835515 892711536 /nfs/dbraw/zinc/71/15/36/892711536.db2.gz WFEIBABRBMFHQO-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001482861719 892712204 /nfs/dbraw/zinc/71/22/04/892712204.db2.gz YKUBWJJPYRKLEJ-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001482863227 892712313 /nfs/dbraw/zinc/71/23/13/892712313.db2.gz HQSIQUZYXIYBRE-SNVBAGLBSA-N 1 0 280.332 -1.042 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]CC(=O)NC(N)=O ZINC001482924077 892714050 /nfs/dbraw/zinc/71/40/50/892714050.db2.gz KTCOQQHSEQVBKY-SNVBAGLBSA-N 1 0 298.343 -1.342 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1nc[nH]n1 ZINC001482892027 892714842 /nfs/dbraw/zinc/71/48/42/892714842.db2.gz OBZZGYWCZOMYDU-SECBINFHSA-N 1 0 293.331 -1.529 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C1(C(N)=O)CC1 ZINC001482869080 892714989 /nfs/dbraw/zinc/71/49/89/892714989.db2.gz SUBKDGCQNUXSNW-SECBINFHSA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001482889185 892715099 /nfs/dbraw/zinc/71/50/99/892715099.db2.gz DKFDTUJYHIIZOM-JTQLQIEISA-N 1 0 292.343 -1.419 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001482889189 892715627 /nfs/dbraw/zinc/71/56/27/892715627.db2.gz DKFDTUJYHIIZOM-SNVBAGLBSA-N 1 0 292.343 -1.419 20 30 CAEDRO COCC#CC[NH2+]C/C=C\CNC(=O)Cn1cnnn1 ZINC001482982971 892717775 /nfs/dbraw/zinc/71/77/75/892717775.db2.gz TZLPZINJAFHEMX-IHWYPQMZSA-N 1 0 278.316 -1.415 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CN1C(=O)CN(C)C1=O ZINC001482966359 892717819 /nfs/dbraw/zinc/71/78/19/892717819.db2.gz JWDOAHKFMWTXLK-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO CC#CC[NH2+]CCN(CC)C(=O)CNS(=O)(=O)NC ZINC001482942586 892718292 /nfs/dbraw/zinc/71/82/92/892718292.db2.gz ZKAUDBHLCPAYRZ-UHFFFAOYSA-N 1 0 290.389 -1.498 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCNC1=O ZINC001482944237 892718697 /nfs/dbraw/zinc/71/86/97/892718697.db2.gz YOGWCRKNSYVVNO-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO CO[C@@H](C)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001482988161 892718939 /nfs/dbraw/zinc/71/89/39/892718939.db2.gz FENKJZZVHSIPFA-XOULXFPDSA-N 1 0 268.317 -1.077 20 30 CAEDRO COC(=O)NCC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001482985171 892719063 /nfs/dbraw/zinc/71/90/63/892719063.db2.gz LGNICWUPTIZVEG-IHWYPQMZSA-N 1 0 297.315 -1.756 20 30 CAEDRO COC(=O)NCC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001482985175 892719323 /nfs/dbraw/zinc/71/93/23/892719323.db2.gz LGNICWUPTIZVEG-NSCUHMNNSA-N 1 0 297.315 -1.756 20 30 CAEDRO CO[C@@H](C)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001482988155 892719359 /nfs/dbraw/zinc/71/93/59/892719359.db2.gz FENKJZZVHSIPFA-FSIBCCDJSA-N 1 0 268.317 -1.077 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1COCCO1 ZINC001482982351 892719521 /nfs/dbraw/zinc/71/95/21/892719521.db2.gz XTONAHWUSRLWIT-AAOUONPWSA-N 1 0 297.355 -1.034 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)CN1CCCS1(=O)=O ZINC001483015356 892721069 /nfs/dbraw/zinc/72/10/69/892721069.db2.gz JEQZZXAGHRZDDJ-ONEGZZNKSA-N 1 0 285.369 -1.083 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CN(C)C(=O)COC ZINC001483015732 892721101 /nfs/dbraw/zinc/72/11/01/892721101.db2.gz NPIGKCGECFQRNI-WAYWQWQTSA-N 1 0 267.329 -1.014 20 30 CAEDRO CC(C)(C(N)=O)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483020968 892721227 /nfs/dbraw/zinc/72/12/27/892721227.db2.gz NFYAIHYQKVOUJP-ONEGZZNKSA-N 1 0 295.343 -1.600 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CN1CCOCC1=O ZINC001483020287 892721451 /nfs/dbraw/zinc/72/14/51/892721451.db2.gz ZAQUMTIVICGVPF-ARJAWSKDSA-N 1 0 265.313 -1.260 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CN1CCCS1(=O)=O ZINC001483015355 892723036 /nfs/dbraw/zinc/72/30/36/892723036.db2.gz JEQZZXAGHRZDDJ-ARJAWSKDSA-N 1 0 285.369 -1.083 20 30 CAEDRO C#CCC[NH2+]C/C=C\CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001483019457 892723284 /nfs/dbraw/zinc/72/32/84/892723284.db2.gz JWTJMSDDSRCHEE-LWTINBJPSA-N 1 0 278.312 -1.130 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1ncc[nH]1 ZINC001483076272 892729924 /nfs/dbraw/zinc/72/99/24/892729924.db2.gz DFQHHIFXNCKJNX-UPHRSURJSA-N 1 0 290.327 -1.146 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001483118554 892733352 /nfs/dbraw/zinc/73/33/52/892733352.db2.gz XWIPVPSZOIFCAA-NEPJUHHUSA-N 1 0 298.387 -1.287 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001483159946 892737130 /nfs/dbraw/zinc/73/71/30/892737130.db2.gz MAHPZRRMBWIPRP-MRVPVSSYSA-N 1 0 281.320 -1.780 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001483141889 892737287 /nfs/dbraw/zinc/73/72/87/892737287.db2.gz JMQZTJFBKUCQTE-SECBINFHSA-N 1 0 270.333 -1.481 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001483183501 892739085 /nfs/dbraw/zinc/73/90/85/892739085.db2.gz MLGRFXWBXBMDJE-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001483182653 892739547 /nfs/dbraw/zinc/73/95/47/892739547.db2.gz HOVQWSLIXYRRNY-SECBINFHSA-N 1 0 278.316 -1.809 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483171014 892741199 /nfs/dbraw/zinc/74/11/99/892741199.db2.gz BNZNNXWAGMDGSE-SFYZADRCSA-N 1 0 252.274 -1.688 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001483226799 892742194 /nfs/dbraw/zinc/74/21/94/892742194.db2.gz JMDBSTNRMWJMKQ-DTWKUNHWSA-N 1 0 284.316 -1.686 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483226694 892742237 /nfs/dbraw/zinc/74/22/37/892742237.db2.gz FPNYVCDRBDDHTM-WDEREUQCSA-N 1 0 280.328 -1.241 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483215399 892742446 /nfs/dbraw/zinc/74/24/46/892742446.db2.gz OVXPMDQHCWSZDS-BDAKNGLRSA-N 1 0 251.290 -1.120 20 30 CAEDRO CC(C)[C@@H](O)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483224450 892743571 /nfs/dbraw/zinc/74/35/71/892743571.db2.gz MLDHYQSQWFXKMM-GXSJLCMTSA-N 1 0 270.333 -1.263 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001483225662 892743672 /nfs/dbraw/zinc/74/36/72/892743672.db2.gz OKKHFKNWSOJZGA-VIFPVBQESA-N 1 0 280.332 -1.175 20 30 CAEDRO COC(=O)NCC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483212023 892743852 /nfs/dbraw/zinc/74/38/52/892743852.db2.gz ZIBMQRJHKVNWIU-QMMMGPOBSA-N 1 0 285.304 -1.924 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC(N)=O ZINC001483215573 892744945 /nfs/dbraw/zinc/74/49/45/892744945.db2.gz NWMXYJCGJHUDGR-IUCAKERBSA-N 1 0 270.333 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC(N)=O ZINC001483215691 892745491 /nfs/dbraw/zinc/74/54/91/892745491.db2.gz QFXIFLYEEZSBLG-QMMMGPOBSA-N 1 0 254.290 -2.295 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001483232887 892746902 /nfs/dbraw/zinc/74/69/02/892746902.db2.gz JVKPMGDOBUMEEW-VIFPVBQESA-N 1 0 261.347 -1.395 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483262391 892751080 /nfs/dbraw/zinc/75/10/80/892751080.db2.gz NBJQZCFSDSNVQC-VIFPVBQESA-N 1 0 282.344 -1.352 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)NC(C)=O ZINC001483274599 892751593 /nfs/dbraw/zinc/75/15/93/892751593.db2.gz HIIXVUHPCOWWFA-JTQLQIEISA-N 1 0 296.371 -1.255 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@]1(C)CCNC1=O ZINC001483265174 892752187 /nfs/dbraw/zinc/75/21/87/892752187.db2.gz PNIFTAFOXOKUOB-ZANVPECISA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001483289114 892752352 /nfs/dbraw/zinc/75/23/52/892752352.db2.gz NEMMXQJARLGAAJ-VIFPVBQESA-N 1 0 265.317 -1.382 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001483265441 892753065 /nfs/dbraw/zinc/75/30/65/892753065.db2.gz WJIQDKXSQVGDHS-HZMBPMFUSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001483265442 892753104 /nfs/dbraw/zinc/75/31/04/892753104.db2.gz WJIQDKXSQVGDHS-IINYFYTJSA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001483321907 892754966 /nfs/dbraw/zinc/75/49/66/892754966.db2.gz NGCVSGMGHOKVHU-JTQLQIEISA-N 1 0 255.318 -1.052 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483387493 892758768 /nfs/dbraw/zinc/75/87/68/892758768.db2.gz BDXFYAGTKORRLL-BDAKNGLRSA-N 1 0 266.301 -1.346 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)CNC(C)=O)C1CC1 ZINC001483540166 892766610 /nfs/dbraw/zinc/76/66/10/892766610.db2.gz KYLYHLNRLVSZJS-GFCCVEGCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001483497838 892766632 /nfs/dbraw/zinc/76/66/32/892766632.db2.gz CPTJORYIWCZHAK-UHFFFAOYSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)COC)C1CC1 ZINC001483535413 892767523 /nfs/dbraw/zinc/76/75/23/892767523.db2.gz HCQADAKBZWQKSC-NSHDSACASA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)CNC(C)=O)C1CC1 ZINC001483540167 892767749 /nfs/dbraw/zinc/76/77/49/892767749.db2.gz KYLYHLNRLVSZJS-LBPRGKRZSA-N 1 0 294.355 -1.644 20 30 CAEDRO COCCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001483707642 892783341 /nfs/dbraw/zinc/78/33/41/892783341.db2.gz NLBACCRCMYVDDR-UHFFFAOYSA-N 1 0 268.317 -1.099 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001483738023 892785220 /nfs/dbraw/zinc/78/52/20/892785220.db2.gz KDJBAOCTGVUALW-UHFFFAOYSA-N 1 0 290.323 -1.581 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)CC(N)=O)CC1 ZINC001483722036 892785326 /nfs/dbraw/zinc/78/53/26/892785326.db2.gz CAJUIYNABNFODN-UHFFFAOYSA-N 1 0 253.302 -1.250 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001483723210 892785388 /nfs/dbraw/zinc/78/53/88/892785388.db2.gz JAFLFJNUWHFQIR-ZETCQYMHSA-N 1 0 267.289 -1.421 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001483729692 892786485 /nfs/dbraw/zinc/78/64/85/892786485.db2.gz ZSQNLMJGWYGWKE-VIFPVBQESA-N 1 0 295.343 -1.969 20 30 CAEDRO Cn1cc(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)nn1 ZINC001483732105 892787209 /nfs/dbraw/zinc/78/72/09/892787209.db2.gz PBTZOUPVZVXSHC-UHFFFAOYSA-N 1 0 291.315 -1.693 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2cnon2)CC1 ZINC001483775878 892790101 /nfs/dbraw/zinc/79/01/01/892790101.db2.gz AGHJTAWTYLTLEA-UHFFFAOYSA-N 1 0 277.284 -1.329 20 30 CAEDRO C#CCNC(=O)CN1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001483890953 892795392 /nfs/dbraw/zinc/79/53/92/892795392.db2.gz NTHJQLFNIBZGFQ-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001483942727 892795886 /nfs/dbraw/zinc/79/58/86/892795886.db2.gz QNDLDFREKTVCNK-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)c2nnn(C)n2)CCOCC1 ZINC001484186269 892799552 /nfs/dbraw/zinc/79/95/52/892799552.db2.gz PYLZYNIVQQLZRF-UHFFFAOYSA-N 1 0 278.316 -1.288 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001484110784 892799586 /nfs/dbraw/zinc/79/95/86/892799586.db2.gz OWEASEMICWUMRI-IINYFYTJSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001484049733 892802154 /nfs/dbraw/zinc/80/21/54/892802154.db2.gz PSQDIVBISWZZSA-CQSZACIVSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001484200367 892807641 /nfs/dbraw/zinc/80/76/41/892807641.db2.gz AKJLXICSNPUDBX-NSHDSACASA-N 1 0 264.289 -2.141 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)CCNC(=O)COC)C1 ZINC001484220757 892812420 /nfs/dbraw/zinc/81/24/20/892812420.db2.gz ASVDWSARKRBSHB-AWEZNQCLSA-N 1 0 299.371 -1.122 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001484227022 892818101 /nfs/dbraw/zinc/81/81/01/892818101.db2.gz ZLFIVQAINRYFKG-FZMZJTMJSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001484227024 892818242 /nfs/dbraw/zinc/81/82/42/892818242.db2.gz ZLFIVQAINRYFKG-SMDDNHRTSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001484238907 892821905 /nfs/dbraw/zinc/82/19/05/892821905.db2.gz MZLLHOOXNQMSIP-WCQYABFASA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001484243606 892821960 /nfs/dbraw/zinc/82/19/60/892821960.db2.gz YTFLQQXGDVYRFM-CYBMUJFWSA-N 1 0 292.343 -1.361 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001484234249 892823017 /nfs/dbraw/zinc/82/30/17/892823017.db2.gz SYOHQPAITITKHT-AWEZNQCLSA-N 1 0 290.323 -1.040 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484233514 892824180 /nfs/dbraw/zinc/82/41/80/892824180.db2.gz FZLSIYUVPREWLA-LBPRGKRZSA-N 1 0 267.329 -1.009 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001484238225 892826259 /nfs/dbraw/zinc/82/62/59/892826259.db2.gz SAZMBBFVLDVYPE-CYBMUJFWSA-N 1 0 277.328 -1.077 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001484344452 892852238 /nfs/dbraw/zinc/85/22/38/892852238.db2.gz VZEJQRXQIVPNMQ-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC001484383369 892853758 /nfs/dbraw/zinc/85/37/58/892853758.db2.gz VFJMLVSLIYPKQW-WDEREUQCSA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001484372343 892854480 /nfs/dbraw/zinc/85/44/80/892854480.db2.gz BQYFEGUAWUGUBP-OLZOCXBDSA-N 1 0 292.383 -1.265 20 30 CAEDRO N#CCNC1CC[NH+](CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001484421928 892856453 /nfs/dbraw/zinc/85/64/53/892856453.db2.gz YXUKIMFFKRHDDV-LLVKDONJSA-N 1 0 294.359 -1.638 20 30 CAEDRO N#CCNC1CC[NH+](CCNC(=O)CCNC(N)=O)CC1 ZINC001484423507 892859116 /nfs/dbraw/zinc/85/91/16/892859116.db2.gz ODHWIEPBYWJSSW-UHFFFAOYSA-N 1 0 296.375 -1.261 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)CN(C)C(C)=O ZINC001484475849 892862524 /nfs/dbraw/zinc/86/25/24/892862524.db2.gz KKTVTWJPNGVNSN-UHFFFAOYSA-N 1 0 269.345 -1.102 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)NC(C)=O ZINC001484476367 892863776 /nfs/dbraw/zinc/86/37/76/892863776.db2.gz FQZJVQXIWYOSBR-SNVBAGLBSA-N 1 0 255.318 -1.445 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C(F)F ZINC001484473766 892864206 /nfs/dbraw/zinc/86/42/06/892864206.db2.gz HYMCRIVYJJKBQH-VIFPVBQESA-N 1 0 291.298 -1.200 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+]Cc1cnnn1C ZINC001484478091 892865304 /nfs/dbraw/zinc/86/53/04/892865304.db2.gz GKFVCFSPMNREAW-SNVBAGLBSA-N 1 0 280.332 -1.115 20 30 CAEDRO N#Cc1cccc(C[NH2+]CCN(CCO)C(=O)C(N)=O)c1 ZINC001484492293 892866218 /nfs/dbraw/zinc/86/62/18/892866218.db2.gz IIFYOOGRVWSDCB-UHFFFAOYSA-N 1 0 290.323 -1.046 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1cnnn1C ZINC001484481725 892866306 /nfs/dbraw/zinc/86/63/06/892866306.db2.gz WSKQDSAUKWKZRP-UHFFFAOYSA-N 1 0 265.317 -1.138 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CCS(C)(=O)=O ZINC001484486828 892866970 /nfs/dbraw/zinc/86/69/70/892866970.db2.gz BEKXYVKIMUZJNC-UHFFFAOYSA-N 1 0 276.358 -1.535 20 30 CAEDRO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001484480743 892867426 /nfs/dbraw/zinc/86/74/26/892867426.db2.gz QSLDSBFCGBZZMT-SECBINFHSA-N 1 0 293.327 -1.216 20 30 CAEDRO CC(C)C#CC(=O)N(CCO)CC[NH2+][C@H](C)C(N)=O ZINC001484481489 892867825 /nfs/dbraw/zinc/86/78/25/892867825.db2.gz QRLUWBDGMFTEME-LLVKDONJSA-N 1 0 269.345 -1.070 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C[C@H]1CCC(=O)NC1 ZINC001484485187 892868190 /nfs/dbraw/zinc/86/81/90/892868190.db2.gz ZXYHCBQQIGWYNB-GFCCVEGCSA-N 1 0 281.356 -1.054 20 30 CAEDRO CC(C)C#CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001484481100 892868267 /nfs/dbraw/zinc/86/82/67/892868267.db2.gz DBMGOSKHDZLGMU-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)CNC(=O)NC ZINC001484484009 892868914 /nfs/dbraw/zinc/86/89/14/892868914.db2.gz JJOHNYWULFQYKA-UHFFFAOYSA-N 1 0 272.349 -1.098 20 30 CAEDRO C=C(Cl)C[NH2+]CCN(CCO)C(=O)Cn1ncnn1 ZINC001484483240 892869060 /nfs/dbraw/zinc/86/90/60/892869060.db2.gz GCVDASDKDKOVHG-UHFFFAOYSA-N 1 0 288.739 -1.164 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cnco1 ZINC001484489967 892869243 /nfs/dbraw/zinc/86/92/43/892869243.db2.gz KHIPVQXAEPRIHD-UHFFFAOYSA-N 1 0 295.299 -1.662 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)Cn1ncnn1 ZINC001484483535 892869750 /nfs/dbraw/zinc/86/97/50/892869750.db2.gz QXSKRCBVYHAJIQ-UHFFFAOYSA-N 1 0 266.305 -1.893 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001484493769 892871978 /nfs/dbraw/zinc/87/19/78/892871978.db2.gz WXNHOPZYAYWSII-JTQLQIEISA-N 1 0 268.317 -1.898 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001484493986 892872043 /nfs/dbraw/zinc/87/20/43/892872043.db2.gz ZYHDBSJXUIPFFK-UHFFFAOYSA-N 1 0 278.312 -1.183 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001484493000 892873060 /nfs/dbraw/zinc/87/30/60/892873060.db2.gz AQOJAIVAPKHDJQ-CQSZACIVSA-N 1 0 281.356 -1.054 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001484492999 892873223 /nfs/dbraw/zinc/87/32/23/892873223.db2.gz AQOJAIVAPKHDJQ-AWEZNQCLSA-N 1 0 281.356 -1.054 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)C[C@H]1CC(=O)NC1=O ZINC001484503772 892873252 /nfs/dbraw/zinc/87/32/52/892873252.db2.gz TZGLLLPEGRDNPD-SNVBAGLBSA-N 1 0 283.328 -1.364 20 30 CAEDRO C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001484493920 892874157 /nfs/dbraw/zinc/87/41/57/892874157.db2.gz YJSURQVRVZCHAT-VIFPVBQESA-N 1 0 290.751 -1.169 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C1(C(=O)NC)CC1 ZINC001484495571 892874189 /nfs/dbraw/zinc/87/41/89/892874189.db2.gz AJHMIILJLJQQMA-UHFFFAOYSA-N 1 0 267.329 -1.444 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC001484667643 892879895 /nfs/dbraw/zinc/87/98/95/892879895.db2.gz FKEZUQKOVXIYDW-LLVKDONJSA-N 1 0 288.369 -1.129 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2cn[nH]n2)CCC1 ZINC001484641297 892880631 /nfs/dbraw/zinc/88/06/31/892880631.db2.gz TZIGUTPOCMOMDD-UHFFFAOYSA-N 1 0 290.327 -1.204 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001484688313 892882457 /nfs/dbraw/zinc/88/24/57/892882457.db2.gz VIOMNXJGXAWUQM-QMMMGPOBSA-N 1 0 283.288 -3.072 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCO1 ZINC001484681177 892886235 /nfs/dbraw/zinc/88/62/35/892886235.db2.gz UJTLQCLZRDXJFA-ZJUUUORDSA-N 1 0 294.311 -1.965 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001484693002 892889485 /nfs/dbraw/zinc/88/94/85/892889485.db2.gz AIDNDLVDHZULTH-JTQLQIEISA-N 1 0 263.301 -1.203 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001484852352 892893283 /nfs/dbraw/zinc/89/32/83/892893283.db2.gz ZYRPXBFFUHYENT-GFCCVEGCSA-N 1 0 263.301 -1.005 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001484838173 892893390 /nfs/dbraw/zinc/89/33/90/892893390.db2.gz KGSMVDZZHSTOIW-GXFFZTMASA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CN2CCOCC2)C1 ZINC001484839205 892893417 /nfs/dbraw/zinc/89/34/17/892893417.db2.gz QNEPZBAGYBSOEB-HNNXBMFYSA-N 1 0 295.383 -1.105 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001484836639 892894269 /nfs/dbraw/zinc/89/42/69/892894269.db2.gz PNIFRWWFEUBYSG-CABZTGNLSA-N 1 0 268.317 -1.426 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001484836645 892894907 /nfs/dbraw/zinc/89/49/07/892894907.db2.gz PNIFRWWFEUBYSG-SKDRFNHKSA-N 1 0 268.317 -1.426 20 30 CAEDRO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001484847076 892895034 /nfs/dbraw/zinc/89/50/34/892895034.db2.gz MNICBLNETNAWAL-SMDDNHRTSA-N 1 0 294.355 -1.366 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001484953765 892896404 /nfs/dbraw/zinc/89/64/04/892896404.db2.gz YWKBAGQOVKHXQY-LBPRGKRZSA-N 1 0 284.356 -1.040 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C ZINC001484890485 892896996 /nfs/dbraw/zinc/89/69/96/892896996.db2.gz VAXXEKXCRACUBD-WDEREUQCSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001484952627 892897698 /nfs/dbraw/zinc/89/76/98/892897698.db2.gz IZIBKXGVSNRXJE-LLVKDONJSA-N 1 0 297.355 -1.547 20 30 CAEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)CNC(=O)NC)CC1 ZINC001484954809 892897768 /nfs/dbraw/zinc/89/77/68/892897768.db2.gz UJEOSPCGMHKNKG-UHFFFAOYSA-N 1 0 296.371 -1.118 20 30 CAEDRO C#CCOCCC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001484953104 892898170 /nfs/dbraw/zinc/89/81/70/892898170.db2.gz OYILBQUEJFOUOW-UHFFFAOYSA-N 1 0 284.356 -1.038 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C2CC2)CC1 ZINC001484945581 892898292 /nfs/dbraw/zinc/89/82/92/892898292.db2.gz IXYKGDCVYJSYEM-UHFFFAOYSA-N 1 0 294.355 -1.021 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)c2cn[nH]n2)CC1 ZINC001484957158 892899223 /nfs/dbraw/zinc/89/92/23/892899223.db2.gz ODJSALVIPJJMLE-UHFFFAOYSA-N 1 0 263.301 -1.005 20 30 CAEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001484952004 892899240 /nfs/dbraw/zinc/89/92/40/892899240.db2.gz XJLPWEMTORZGQU-UHFFFAOYSA-N 1 0 267.329 -1.172 20 30 CAEDRO C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001484997875 892901276 /nfs/dbraw/zinc/90/12/76/892901276.db2.gz SNMAUZUWCLTBQD-IUCAKERBSA-N 1 0 296.331 -2.208 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001484994792 892901527 /nfs/dbraw/zinc/90/15/27/892901527.db2.gz HJUHMFKLECKHFY-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001485022898 892902569 /nfs/dbraw/zinc/90/25/69/892902569.db2.gz OMHIZWPGCMSAMJ-SNVBAGLBSA-N 1 0 280.328 -1.756 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001485156652 892908944 /nfs/dbraw/zinc/90/89/44/892908944.db2.gz HVYVVDVPYOBNRN-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001485162007 892909148 /nfs/dbraw/zinc/90/91/48/892909148.db2.gz DOGWCZQOENQHGC-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485159570 892911078 /nfs/dbraw/zinc/91/10/78/892911078.db2.gz IERFETGHHRDJME-RKDXNWHRSA-N 1 0 297.359 -1.380 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001485162008 892911403 /nfs/dbraw/zinc/91/14/03/892911403.db2.gz DOGWCZQOENQHGC-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001485156653 892911470 /nfs/dbraw/zinc/91/14/70/892911470.db2.gz HVYVVDVPYOBNRN-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001485230320 892912472 /nfs/dbraw/zinc/91/24/72/892912472.db2.gz SKTCXHNGXVIRAQ-IUCAKERBSA-N 1 0 278.316 -1.507 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001485196282 892912661 /nfs/dbraw/zinc/91/26/61/892912661.db2.gz QULJNHVSFKULFQ-RKDXNWHRSA-N 1 0 294.311 -1.477 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001485196281 892915024 /nfs/dbraw/zinc/91/50/24/892915024.db2.gz QULJNHVSFKULFQ-IUCAKERBSA-N 1 0 294.311 -1.477 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001485299937 892917597 /nfs/dbraw/zinc/91/75/97/892917597.db2.gz MZXIXAMCPWFUTC-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001485536759 892935618 /nfs/dbraw/zinc/93/56/18/892935618.db2.gz XAOUSXXQHASRKZ-SNVBAGLBSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001485645179 892938880 /nfs/dbraw/zinc/93/88/80/892938880.db2.gz SDJDSJMCLCCJPX-ZJUUUORDSA-N 1 0 278.316 -1.338 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001485645176 892939124 /nfs/dbraw/zinc/93/91/24/892939124.db2.gz SDJDSJMCLCCJPX-NXEZZACHSA-N 1 0 278.316 -1.338 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001485645177 892939631 /nfs/dbraw/zinc/93/96/31/892939631.db2.gz SDJDSJMCLCCJPX-UWVGGRQHSA-N 1 0 278.316 -1.338 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC(=O)N1 ZINC001485769353 892943795 /nfs/dbraw/zinc/94/37/95/892943795.db2.gz DINRSTAYBFHVQP-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001485678526 892944502 /nfs/dbraw/zinc/94/45/02/892944502.db2.gz NCAQRZWTQCWIFF-XYPYZODXSA-N 1 0 267.329 -1.004 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485924372 892951081 /nfs/dbraw/zinc/95/10/81/892951081.db2.gz ZQDSAGYZQSUQRT-MXWKQRLJSA-N 1 0 296.371 -1.154 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cn[nH]n1 ZINC001485894051 892951457 /nfs/dbraw/zinc/95/14/57/892951457.db2.gz QEXPSEISUQTYTD-UWVGGRQHSA-N 1 0 292.343 -1.007 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C(N)=O)C1=O ZINC001485917804 892951547 /nfs/dbraw/zinc/95/15/47/892951547.db2.gz RIKPHTUICCSONC-ZJUUUORDSA-N 1 0 282.344 -1.305 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001485908831 892951698 /nfs/dbraw/zinc/95/16/98/892951698.db2.gz BZYUVJCLHKBBPH-WDEREUQCSA-N 1 0 296.371 -1.139 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C(N)=O)C1=O ZINC001485917802 892952990 /nfs/dbraw/zinc/95/29/90/892952990.db2.gz RIKPHTUICCSONC-UWVGGRQHSA-N 1 0 282.344 -1.305 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001485877019 892953135 /nfs/dbraw/zinc/95/31/35/892953135.db2.gz JRKGYRFKVMPQJG-SECBINFHSA-N 1 0 278.316 -1.553 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001485908825 892953266 /nfs/dbraw/zinc/95/32/66/892953266.db2.gz BZYUVJCLHKBBPH-GHMZBOCLSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1nc[nH]n1 ZINC001485932977 892955821 /nfs/dbraw/zinc/95/58/21/892955821.db2.gz GIPKEVBVQGVVDI-VIFPVBQESA-N 1 0 278.316 -1.396 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(F)F ZINC001485966831 892956805 /nfs/dbraw/zinc/95/68/05/892956805.db2.gz CGSOPDZJHUCMRL-MRVPVSSYSA-N 1 0 277.271 -1.542 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001485973020 892960226 /nfs/dbraw/zinc/96/02/26/892960226.db2.gz QNVFULCONJCLNX-MNOVXSKESA-N 1 0 283.328 -2.019 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001485973019 892961082 /nfs/dbraw/zinc/96/10/82/892961082.db2.gz QNVFULCONJCLNX-GHMZBOCLSA-N 1 0 283.328 -2.019 20 30 CAEDRO Cn1nccc1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485978921 892962668 /nfs/dbraw/zinc/96/26/68/892962668.db2.gz DXUYUHPVJDSSPY-SECBINFHSA-N 1 0 294.315 -2.260 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001485975349 892963015 /nfs/dbraw/zinc/96/30/15/892963015.db2.gz DBWWFNRNPWKFOR-GHMZBOCLSA-N 1 0 299.327 -2.782 20 30 CAEDRO CS[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485976349 892965507 /nfs/dbraw/zinc/96/55/07/892965507.db2.gz KMXCIVYJBAXDCZ-IUCAKERBSA-N 1 0 288.373 -1.556 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001485975351 892965844 /nfs/dbraw/zinc/96/58/44/892965844.db2.gz DBWWFNRNPWKFOR-QWRGUYRKSA-N 1 0 299.327 -2.782 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001485975352 892965871 /nfs/dbraw/zinc/96/58/71/892965871.db2.gz DBWWFNRNPWKFOR-WDEREUQCSA-N 1 0 299.327 -2.782 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001485979401 892967540 /nfs/dbraw/zinc/96/75/40/892967540.db2.gz JCJDCYDOMFQEMQ-MNOVXSKESA-N 1 0 299.375 -1.080 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC001485981367 892968050 /nfs/dbraw/zinc/96/80/50/892968050.db2.gz BZLSYMWCAMCYHB-DTWKUNHWSA-N 1 0 277.346 -1.743 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC001485981363 892968646 /nfs/dbraw/zinc/96/86/46/892968646.db2.gz BZLSYMWCAMCYHB-BDAKNGLRSA-N 1 0 277.346 -1.743 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC001485981369 892969673 /nfs/dbraw/zinc/96/96/73/892969673.db2.gz BZLSYMWCAMCYHB-RKDXNWHRSA-N 1 0 277.346 -1.743 20 30 CAEDRO C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485983956 892972094 /nfs/dbraw/zinc/97/20/94/892972094.db2.gz WTYZQSWRAXROKJ-RYUDHWBXSA-N 1 0 296.371 -2.103 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001485988806 892972722 /nfs/dbraw/zinc/97/27/22/892972722.db2.gz XYYXCYATWKJRRZ-NWDGAFQWSA-N 1 0 298.339 -1.344 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001485988808 892972808 /nfs/dbraw/zinc/97/28/08/892972808.db2.gz XYYXCYATWKJRRZ-VXGBXAGGSA-N 1 0 298.339 -1.344 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+]CCCO)c1 ZINC001485984887 892972885 /nfs/dbraw/zinc/97/28/85/892972885.db2.gz ULHVQXKYXXOERC-JTQLQIEISA-N 1 0 266.301 -1.051 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001485987585 892973353 /nfs/dbraw/zinc/97/33/53/892973353.db2.gz PXAZTXMPAWSFET-NEPJUHHUSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001485987588 892973475 /nfs/dbraw/zinc/97/34/75/892973475.db2.gz PXAZTXMPAWSFET-VXGBXAGGSA-N 1 0 297.355 -1.628 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001485988805 892973756 /nfs/dbraw/zinc/97/37/56/892973756.db2.gz XYYXCYATWKJRRZ-NEPJUHHUSA-N 1 0 298.339 -1.344 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001485988807 892973851 /nfs/dbraw/zinc/97/38/51/892973851.db2.gz XYYXCYATWKJRRZ-RYUDHWBXSA-N 1 0 298.339 -1.344 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001485990535 892974000 /nfs/dbraw/zinc/97/40/00/892974000.db2.gz IEUNZYAMPQVVKU-GHMZBOCLSA-N 1 0 295.339 -1.338 20 30 CAEDRO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001485984296 892974074 /nfs/dbraw/zinc/97/40/74/892974074.db2.gz IXEBKHVUNRGDKF-SNVBAGLBSA-N 1 0 293.327 -1.297 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cc[nH]c1 ZINC001485998293 892975772 /nfs/dbraw/zinc/97/57/72/892975772.db2.gz FVEJGDZGCDVUES-PWSUYJOCSA-N 1 0 292.339 -1.167 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001485997263 892976264 /nfs/dbraw/zinc/97/62/64/892976264.db2.gz MAYZSZGNNXMVRI-SECBINFHSA-N 1 0 254.294 -1.684 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1C ZINC001485996053 892976590 /nfs/dbraw/zinc/97/65/90/892976590.db2.gz UHSQJVJIJNZELK-SNVBAGLBSA-N 1 0 293.327 -1.852 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001485996357 892976759 /nfs/dbraw/zinc/97/67/59/892976759.db2.gz VWONTRAUDQWJFJ-LLVKDONJSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001485999301 892977506 /nfs/dbraw/zinc/97/75/06/892977506.db2.gz VFPXUSWJUNUIPR-SECBINFHSA-N 1 0 276.300 -1.009 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1cnn(C)c1C ZINC001486000844 892977861 /nfs/dbraw/zinc/97/78/61/892977861.db2.gz BZNLHGRLCAKRRH-GFCCVEGCSA-N 1 0 264.329 -1.029 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1cnn(C)c1C ZINC001486000852 892978155 /nfs/dbraw/zinc/97/81/55/892978155.db2.gz BZNLHGRLCAKRRH-LBPRGKRZSA-N 1 0 264.329 -1.029 20 30 CAEDRO CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001485997855 892978195 /nfs/dbraw/zinc/97/81/95/892978195.db2.gz AYLCYLPRRXREIO-NWDGAFQWSA-N 1 0 299.371 -1.382 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001485996540 892978219 /nfs/dbraw/zinc/97/82/19/892978219.db2.gz HGYQWXBNCLZRRV-VIFPVBQESA-N 1 0 254.294 -1.684 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001486000585 892978404 /nfs/dbraw/zinc/97/84/04/892978404.db2.gz AJFFPDOLTUYMOO-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)CN1CCOCC1=O ZINC001486004377 892980455 /nfs/dbraw/zinc/98/04/55/892980455.db2.gz MJQBKYOYGCOJNA-LBPRGKRZSA-N 1 0 299.371 -1.122 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cncn1C ZINC001486012847 892982230 /nfs/dbraw/zinc/98/22/30/892982230.db2.gz JXDBVMHKRVTEQK-LLVKDONJSA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001486013940 892982634 /nfs/dbraw/zinc/98/26/34/892982634.db2.gz DQPIOXMRVJWIPG-QWHCGFSZSA-N 1 0 281.356 -1.055 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001486011983 892984260 /nfs/dbraw/zinc/98/42/60/892984260.db2.gz QMZFNJJQVNBEEU-NEPJUHHUSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001486013939 892984335 /nfs/dbraw/zinc/98/43/35/892984335.db2.gz DQPIOXMRVJWIPG-OLZOCXBDSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]nc1C ZINC001486019996 892985506 /nfs/dbraw/zinc/98/55/06/892985506.db2.gz BWIAVGDGANIXSD-SNVBAGLBSA-N 1 0 295.343 -1.299 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccn2nnnc2c1 ZINC001486022728 892986067 /nfs/dbraw/zinc/98/60/67/892986067.db2.gz IRFPQOFECPXGFI-NSHDSACASA-N 1 0 288.311 -1.172 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001486030361 892990989 /nfs/dbraw/zinc/99/09/89/892990989.db2.gz SJJFUUAIFKZXDN-SECBINFHSA-N 1 0 264.285 -1.527 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1cnoc1 ZINC001486026665 892991305 /nfs/dbraw/zinc/99/13/05/892991305.db2.gz VFKXLNDJDWHXDI-LBPRGKRZSA-N 1 0 281.312 -1.066 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001486026514 892991877 /nfs/dbraw/zinc/99/18/77/892991877.db2.gz FUYHXLLEVLYSHQ-RYUDHWBXSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCC(=O)NCC ZINC001486265073 893025683 /nfs/dbraw/zinc/02/56/83/893025683.db2.gz LOABTESTIDIPQY-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001486040104 892993025 /nfs/dbraw/zinc/99/30/25/892993025.db2.gz REGCHTYIVZZOIN-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@H](CO)[NH2+]CCO)c1 ZINC001486035453 892993653 /nfs/dbraw/zinc/99/36/53/892993653.db2.gz ZXGGGDLVKPKSQF-GFCCVEGCSA-N 1 0 263.297 -1.265 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C(N)=O)C1=O ZINC001486031747 892994603 /nfs/dbraw/zinc/99/46/03/892994603.db2.gz VJAKROSHCUPAGM-IUCAKERBSA-N 1 0 284.316 -2.675 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001486040103 892994754 /nfs/dbraw/zinc/99/47/54/892994754.db2.gz REGCHTYIVZZOIN-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001486033631 892994925 /nfs/dbraw/zinc/99/49/25/892994925.db2.gz ZTEWVUIAEXIBID-MRVPVSSYSA-N 1 0 297.290 -2.022 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001486047733 892997950 /nfs/dbraw/zinc/99/79/50/892997950.db2.gz MKOPHXUYJVRDHU-NSHDSACASA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001486044599 892998381 /nfs/dbraw/zinc/99/83/81/892998381.db2.gz OJZLWMAOAUVDMX-SECBINFHSA-N 1 0 269.301 -1.708 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001486056838 893000120 /nfs/dbraw/zinc/00/01/20/893000120.db2.gz DVBOZRQMCRMFKD-NSHDSACASA-N 1 0 295.343 -2.020 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)cn1 ZINC001486054713 893000166 /nfs/dbraw/zinc/00/01/66/893000166.db2.gz CJKIANXLPFIJRD-GFCCVEGCSA-N 1 0 290.323 -1.511 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCO)nc1 ZINC001486055255 893000479 /nfs/dbraw/zinc/00/04/79/893000479.db2.gz JYPXIFHXYQOPST-NSHDSACASA-N 1 0 263.297 -1.265 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1(C(=O)NC)CCC1 ZINC001486055704 893000502 /nfs/dbraw/zinc/00/05/02/893000502.db2.gz OIACUVYYYIKADU-LLVKDONJSA-N 1 0 281.356 -1.007 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001486054588 893000904 /nfs/dbraw/zinc/00/09/04/893000904.db2.gz ACMVFUMTGZVIMR-ZJUUUORDSA-N 1 0 255.318 -1.092 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)N(C)C ZINC001486057852 893001113 /nfs/dbraw/zinc/00/11/13/893001113.db2.gz TXKWBJTUFXJACW-SNVBAGLBSA-N 1 0 291.373 -2.032 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCO)cn1 ZINC001486055468 893002354 /nfs/dbraw/zinc/00/23/54/893002354.db2.gz LWLFHEMXEIZIES-GFCCVEGCSA-N 1 0 263.297 -1.265 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001486056511 893004117 /nfs/dbraw/zinc/00/41/17/893004117.db2.gz WISNBHMVYFSIFI-ZJUUUORDSA-N 1 0 296.327 -2.919 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C ZINC001486054660 893004595 /nfs/dbraw/zinc/00/45/95/893004595.db2.gz BMAUAMJSINLHNU-SNVBAGLBSA-N 1 0 269.345 -1.151 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001486065576 893006006 /nfs/dbraw/zinc/00/60/06/893006006.db2.gz IAZFCZFYUOKUME-SECBINFHSA-N 1 0 294.315 -2.533 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001486065243 893006115 /nfs/dbraw/zinc/00/61/15/893006115.db2.gz GKHCZFUCNSDBHA-LLVKDONJSA-N 1 0 290.323 -1.116 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001486062176 893006513 /nfs/dbraw/zinc/00/65/13/893006513.db2.gz DNVCFMXJEVUNCF-NXEZZACHSA-N 1 0 291.373 -1.679 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001486065244 893006643 /nfs/dbraw/zinc/00/66/43/893006643.db2.gz GKHCZFUCNSDBHA-NSHDSACASA-N 1 0 290.323 -1.116 20 30 CAEDRO C#CCNC(=O)CN[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001486061083 893011255 /nfs/dbraw/zinc/01/12/55/893011255.db2.gz HBQAKGDSOXSITG-GFCCVEGCSA-N 1 0 296.371 -2.102 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CC1 ZINC001486254972 893018646 /nfs/dbraw/zinc/01/86/46/893018646.db2.gz ACOZOVSRTBKAAM-PWSUYJOCSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001486254973 893019709 /nfs/dbraw/zinc/01/97/09/893019709.db2.gz ACOZOVSRTBKAAM-ZYHUDNBSSA-N 1 0 281.356 -1.057 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)COC ZINC001486255728 893020906 /nfs/dbraw/zinc/02/09/06/893020906.db2.gz QVHMTNWCSQGJCK-LLVKDONJSA-N 1 0 258.318 -1.309 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241786 893021884 /nfs/dbraw/zinc/02/18/84/893021884.db2.gz ZHHBMMWVGOOJDU-VHSXEESVSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)F ZINC001486257283 893022058 /nfs/dbraw/zinc/02/20/58/893022058.db2.gz JGILKJWFMMRUBT-SNVBAGLBSA-N 1 0 287.335 -1.107 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486263951 893023828 /nfs/dbraw/zinc/02/38/28/893023828.db2.gz ANGWOBVUMHCXGV-VXGBXAGGSA-N 1 0 297.355 -1.676 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cn[nH]c1 ZINC001486264766 893024620 /nfs/dbraw/zinc/02/46/20/893024620.db2.gz HBJNYRZLWANNTI-JTQLQIEISA-N 1 0 294.315 -1.928 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001486261494 893025369 /nfs/dbraw/zinc/02/53/69/893025369.db2.gz ITLWFATUXCEZLW-RYUDHWBXSA-N 1 0 270.329 -1.166 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001486263302 893026184 /nfs/dbraw/zinc/02/61/84/893026184.db2.gz PPJVNEYBJFWJGY-SECBINFHSA-N 1 0 264.347 -1.374 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001486277017 893028708 /nfs/dbraw/zinc/02/87/08/893028708.db2.gz RWLDTTHTYVEWNN-NWDGAFQWSA-N 1 0 270.329 -1.166 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)C#CC1CC1 ZINC001486274732 893028726 /nfs/dbraw/zinc/02/87/26/893028726.db2.gz QSJYOYXAZLGRKQ-JTQLQIEISA-N 1 0 296.327 -1.996 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001486268505 893031623 /nfs/dbraw/zinc/03/16/23/893031623.db2.gz XDIYCDIFVBLYGO-SNVBAGLBSA-N 1 0 293.327 -1.818 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CCO)C(=O)c1c[nH]c(C#N)c1 ZINC001486270466 893031674 /nfs/dbraw/zinc/03/16/74/893031674.db2.gz DUWQTYBAAOBKSY-LLVKDONJSA-N 1 0 266.301 -1.099 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001486270956 893032142 /nfs/dbraw/zinc/03/21/42/893032142.db2.gz JLRLOGMRAABEGH-JTQLQIEISA-N 1 0 293.327 -1.345 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001486283032 893034130 /nfs/dbraw/zinc/03/41/30/893034130.db2.gz ORIVERCSOBWGNJ-JTQLQIEISA-N 1 0 269.345 -1.070 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001486281827 893035231 /nfs/dbraw/zinc/03/52/31/893035231.db2.gz VSPYHWQRTLKVCA-SNVBAGLBSA-N 1 0 278.312 -1.564 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486279521 893035250 /nfs/dbraw/zinc/03/52/50/893035250.db2.gz RYVSMKYYACOEGS-VIFPVBQESA-N 1 0 256.306 -2.043 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001486277244 893035407 /nfs/dbraw/zinc/03/54/07/893035407.db2.gz USSDFPHDONSIKD-JTQLQIEISA-N 1 0 265.317 -1.302 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001486283791 893035428 /nfs/dbraw/zinc/03/54/28/893035428.db2.gz CUSIRCDFXGBDAC-LLVKDONJSA-N 1 0 298.343 -2.719 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001486285564 893035702 /nfs/dbraw/zinc/03/57/02/893035702.db2.gz JIPXBZUGOXSSGO-JTQLQIEISA-N 1 0 296.327 -1.456 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1COCCN1CC ZINC001486285801 893035978 /nfs/dbraw/zinc/03/59/78/893035978.db2.gz RBCIXCUEAOVAIJ-STQMWFEESA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001486283794 893036041 /nfs/dbraw/zinc/03/60/41/893036041.db2.gz CUSIRCDFXGBDAC-NSHDSACASA-N 1 0 298.343 -2.719 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCN1C(=O)CCC1=O ZINC001486287372 893036358 /nfs/dbraw/zinc/03/63/58/893036358.db2.gz VZLXONCAPJJBSY-NSHDSACASA-N 1 0 295.339 -1.432 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001486279618 893036498 /nfs/dbraw/zinc/03/64/98/893036498.db2.gz SVPIBFQKKPPHPB-JTQLQIEISA-N 1 0 293.389 -1.527 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001486288341 893036820 /nfs/dbraw/zinc/03/68/20/893036820.db2.gz QKMKPHQWDFQQAT-NSHDSACASA-N 1 0 282.344 -1.556 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C)CC1 ZINC001486279999 893037729 /nfs/dbraw/zinc/03/77/29/893037729.db2.gz UHJYWVUCSPZPAE-LLVKDONJSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001486277325 893037954 /nfs/dbraw/zinc/03/79/54/893037954.db2.gz FRLLDXRZFWSSNO-VIFPVBQESA-N 1 0 296.331 -2.028 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001486298500 893038905 /nfs/dbraw/zinc/03/89/05/893038905.db2.gz QCQCYYUATQLYHY-BDAKNGLRSA-N 1 0 290.751 -1.171 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1ncn(C)c1=O ZINC001486291991 893039720 /nfs/dbraw/zinc/03/97/20/893039720.db2.gz LSOINXPMDKAMHQ-NSHDSACASA-N 1 0 295.343 -1.986 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001486301171 893040583 /nfs/dbraw/zinc/04/05/83/893040583.db2.gz LAENIQSMDUSWRU-VXGBXAGGSA-N 1 0 293.367 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001486301170 893040671 /nfs/dbraw/zinc/04/06/71/893040671.db2.gz LAENIQSMDUSWRU-RYUDHWBXSA-N 1 0 293.367 -1.055 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC12CC2 ZINC001486301338 893040856 /nfs/dbraw/zinc/04/08/56/893040856.db2.gz MIFMVRWQQGMXPY-WDEREUQCSA-N 1 0 294.355 -1.165 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC12CC2 ZINC001486301335 893042426 /nfs/dbraw/zinc/04/24/26/893042426.db2.gz MIFMVRWQQGMXPY-GHMZBOCLSA-N 1 0 294.355 -1.165 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC12CC2 ZINC001486301337 893042563 /nfs/dbraw/zinc/04/25/63/893042563.db2.gz MIFMVRWQQGMXPY-QWRGUYRKSA-N 1 0 294.355 -1.165 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001486304275 893044739 /nfs/dbraw/zinc/04/47/39/893044739.db2.gz HOTOHVCLGATOTI-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001486304976 893044944 /nfs/dbraw/zinc/04/49/44/893044944.db2.gz WFBXENIXVNFHJU-LLVKDONJSA-N 1 0 295.339 -1.529 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001486311345 893045029 /nfs/dbraw/zinc/04/50/29/893045029.db2.gz PCMFEPPLEIMTAS-GWCFXTLKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001486311347 893045497 /nfs/dbraw/zinc/04/54/97/893045497.db2.gz PCMFEPPLEIMTAS-GXFFZTMASA-N 1 0 267.329 -1.445 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001486305319 893045749 /nfs/dbraw/zinc/04/57/49/893045749.db2.gz CSZIFQKASHZWCV-SNVBAGLBSA-N 1 0 282.300 -1.258 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001486305318 893047435 /nfs/dbraw/zinc/04/74/35/893047435.db2.gz CSZIFQKASHZWCV-JTQLQIEISA-N 1 0 282.300 -1.258 20 30 CAEDRO C=CCOCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001486328104 893049045 /nfs/dbraw/zinc/04/90/45/893049045.db2.gz GMOMEHUXJCCRSO-NEPJUHHUSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001486319540 893049145 /nfs/dbraw/zinc/04/91/45/893049145.db2.gz LGCMHMKSBPKAQW-NSHDSACASA-N 1 0 290.323 -1.164 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001486325171 893051866 /nfs/dbraw/zinc/05/18/66/893051866.db2.gz BZEHTFOOQSSCJE-NWDGAFQWSA-N 1 0 270.329 -1.214 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001486325170 893052240 /nfs/dbraw/zinc/05/22/40/893052240.db2.gz BZEHTFOOQSSCJE-NEPJUHHUSA-N 1 0 270.329 -1.214 20 30 CAEDRO C=CCOCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001486328107 893052408 /nfs/dbraw/zinc/05/24/08/893052408.db2.gz GMOMEHUXJCCRSO-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001486348380 893058224 /nfs/dbraw/zinc/05/82/24/893058224.db2.gz ZQAOIXHINQEKLU-UWVGGRQHSA-N 1 0 268.317 -1.948 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001486344027 893058287 /nfs/dbraw/zinc/05/82/87/893058287.db2.gz GMEIKMMUASAAAC-WDEREUQCSA-N 1 0 282.344 -1.606 20 30 CAEDRO C=CCOCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486346359 893060652 /nfs/dbraw/zinc/06/06/52/893060652.db2.gz CWWUYIZQQBMZSB-SNVBAGLBSA-N 1 0 273.333 -1.575 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001486347615 893061058 /nfs/dbraw/zinc/06/10/58/893061058.db2.gz QJURNOFQOZVJFO-WDEREUQCSA-N 1 0 282.344 -1.558 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(=O)COC ZINC001486336269 893062318 /nfs/dbraw/zinc/06/23/18/893062318.db2.gz GVTDTIMYZFRZNJ-LBPRGKRZSA-N 1 0 299.371 -1.525 20 30 CAEDRO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336049 893063560 /nfs/dbraw/zinc/06/35/60/893063560.db2.gz BICOAHAECFDYDF-NSHDSACASA-N 1 0 284.360 -1.310 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001486357327 893066912 /nfs/dbraw/zinc/06/69/12/893066912.db2.gz XLQDARGRLHXQFH-SNVBAGLBSA-N 1 0 265.317 -1.269 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001486358642 893067888 /nfs/dbraw/zinc/06/78/88/893067888.db2.gz GPBDHXWWJYKZAJ-JTQLQIEISA-N 1 0 291.373 -2.080 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001486360556 893070075 /nfs/dbraw/zinc/07/00/75/893070075.db2.gz NNQIVMGRTIUZQT-MNOVXSKESA-N 1 0 297.355 -1.024 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)CNC(C)=O)CC1 ZINC001487923659 893106456 /nfs/dbraw/zinc/10/64/56/893106456.db2.gz CLQQKRLBXXACOD-CYBMUJFWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001488737883 893163524 /nfs/dbraw/zinc/16/35/24/893163524.db2.gz YNCCUNSOHQIHMZ-AOOOYVTPSA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CC(N)=O)C1 ZINC001488717659 893164696 /nfs/dbraw/zinc/16/46/96/893164696.db2.gz FEFCGJMWIGRTQT-GARJFASQSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CC(N)=O)C1 ZINC001488717666 893165558 /nfs/dbraw/zinc/16/55/58/893165558.db2.gz FEFCGJMWIGRTQT-MXWKQRLJSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001488741700 893167587 /nfs/dbraw/zinc/16/75/87/893167587.db2.gz PYDMXJJDYLTWNR-TXEJJXNPSA-N 1 0 279.340 -1.037 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001488764338 893167786 /nfs/dbraw/zinc/16/77/86/893167786.db2.gz RWEFULITPKUYBP-AXFHLTTASA-N 1 0 294.355 -1.257 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001488764340 893168256 /nfs/dbraw/zinc/16/82/56/893168256.db2.gz RWEFULITPKUYBP-OUAUKWLOSA-N 1 0 294.355 -1.257 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001488807842 893168562 /nfs/dbraw/zinc/16/85/62/893168562.db2.gz GJULRFRQXCGNGE-HAQNSBGRSA-N 1 0 292.343 -1.193 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O ZINC001489043372 893170305 /nfs/dbraw/zinc/17/03/05/893170305.db2.gz DSKLIXQTOXOKLW-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001488859925 893171106 /nfs/dbraw/zinc/17/11/06/893171106.db2.gz MDSCIGPVEAXWOL-SRVKXCTJSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001489154329 893171162 /nfs/dbraw/zinc/17/11/62/893171162.db2.gz CFYSOYVISHESGV-NSHDSACASA-N 1 0 267.329 -1.220 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001488859450 893171368 /nfs/dbraw/zinc/17/13/68/893171368.db2.gz WGQITYIZPCKBLZ-KYZUINATSA-N 1 0 291.315 -1.458 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001488945339 893172794 /nfs/dbraw/zinc/17/27/94/893172794.db2.gz FIDZXZCMRUJUCD-OUAUKWLOSA-N 1 0 294.355 -1.516 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001488903666 893172957 /nfs/dbraw/zinc/17/29/57/893172957.db2.gz NZLQOWKYCUSWPO-VHSXEESVSA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001489217875 893176630 /nfs/dbraw/zinc/17/66/30/893176630.db2.gz BGHFCNBACCZJKB-NSHDSACASA-N 1 0 282.344 -1.292 20 30 CAEDRO CC#CC[N@H+](C)CCCNC(=O)CNC(=O)CNC(C)=O ZINC001490215499 893197188 /nfs/dbraw/zinc/19/71/88/893197188.db2.gz NCAQFJFPNAQQFM-UHFFFAOYSA-N 1 0 296.371 -1.300 20 30 CAEDRO C=CCNC(=O)C[N@H+](CC)CCCNC(=O)C(N)=O ZINC001490343497 893200260 /nfs/dbraw/zinc/20/02/60/893200260.db2.gz TVAJERAGTYMGQI-UHFFFAOYSA-N 1 0 270.333 -1.398 20 30 CAEDRO C#CCNC(=O)C[N@H+](CC)CCCNC(=O)c1cn[nH]n1 ZINC001490335409 893202854 /nfs/dbraw/zinc/20/28/54/893202854.db2.gz JCZORNFOJPFYFE-UHFFFAOYSA-N 1 0 292.343 -1.004 20 30 CAEDRO C#CC[N@H+](CC)CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001490329082 893204296 /nfs/dbraw/zinc/20/42/96/893204296.db2.gz KUWMPZXTAWXMEC-UHFFFAOYSA-N 1 0 292.343 -1.162 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)COC)C1 ZINC001490806362 893218240 /nfs/dbraw/zinc/21/82/40/893218240.db2.gz UJETVJIPBALWHQ-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001490742018 893219098 /nfs/dbraw/zinc/21/90/98/893219098.db2.gz ZIBFXLDLRFOGCG-MNOVXSKESA-N 1 0 285.369 -1.204 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001490742019 893219438 /nfs/dbraw/zinc/21/94/38/893219438.db2.gz ZIBFXLDLRFOGCG-QWRGUYRKSA-N 1 0 285.369 -1.204 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001490840365 893222264 /nfs/dbraw/zinc/22/22/64/893222264.db2.gz WMLDFZMTBFIVPL-IUCAKERBSA-N 1 0 294.315 -2.502 20 30 CAEDRO C[C@@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001490836440 893222608 /nfs/dbraw/zinc/22/26/08/893222608.db2.gz CJHXOBJFLKXMDQ-UWVGGRQHSA-N 1 0 295.343 -1.672 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001490873541 893222644 /nfs/dbraw/zinc/22/26/44/893222644.db2.gz POOWSQBCELDDQR-DCAQKATOSA-N 1 0 280.328 -1.101 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001490890543 893223130 /nfs/dbraw/zinc/22/31/30/893223130.db2.gz XRADVTCTWNXEDW-MGCOHNPYSA-N 1 0 291.315 -2.341 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001490860097 893223288 /nfs/dbraw/zinc/22/32/88/893223288.db2.gz DHXLSSAPPUOTRQ-LBPRGKRZSA-N 1 0 289.339 -1.177 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001490830021 893223937 /nfs/dbraw/zinc/22/39/37/893223937.db2.gz GBYLQWXOIMQVJJ-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)CC)C1 ZINC001491002787 893226068 /nfs/dbraw/zinc/22/60/68/893226068.db2.gz KFGMMSDXJIFMOB-PHIMTYICSA-N 1 0 294.355 -1.501 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001490916988 893226399 /nfs/dbraw/zinc/22/63/99/893226399.db2.gz MPWFJWJXURQLOR-IJLUTSLNSA-N 1 0 294.355 -1.103 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001490934397 893226521 /nfs/dbraw/zinc/22/65/21/893226521.db2.gz WZVMZXYPKOKHCX-GUBZILKMSA-N 1 0 278.312 -1.155 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001490921258 893227085 /nfs/dbraw/zinc/22/70/85/893227085.db2.gz COKWCJBYCPEYME-OPRDCNLKSA-N 1 0 250.302 -1.072 20 30 CAEDRO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491042048 893232435 /nfs/dbraw/zinc/23/24/35/893232435.db2.gz LOWCIUWBSQFNLA-LPEHRKFASA-N 1 0 295.343 -1.626 20 30 CAEDRO CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491026251 893232471 /nfs/dbraw/zinc/23/24/71/893232471.db2.gz LMWXGDLQIKFKMC-DTORHVGOSA-N 1 0 295.343 -1.626 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001491076037 893234280 /nfs/dbraw/zinc/23/42/80/893234280.db2.gz OVYUVFJUNNRMCE-AOOOYVTPSA-N 1 0 273.358 -1.252 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001491071483 893235103 /nfs/dbraw/zinc/23/51/03/893235103.db2.gz AHOBCSBDGHQWNZ-AXFHLTTASA-N 1 0 292.339 -1.749 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001491081309 893238398 /nfs/dbraw/zinc/23/83/98/893238398.db2.gz ZYHBDZDNRUSUJD-AXFHLTTASA-N 1 0 285.369 -1.062 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)CNC(C)=O ZINC001491380754 893267834 /nfs/dbraw/zinc/26/78/34/893267834.db2.gz YNWNESRIHWSVNB-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C[C@H](CNC(=O)c1ccnn1C)[NH2+]CC(=O)NCC#N ZINC001491409083 893270848 /nfs/dbraw/zinc/27/08/48/893270848.db2.gz BRHPDVPSIDLDQT-SECBINFHSA-N 1 0 278.316 -1.232 20 30 CAEDRO C[C@H](CNC(=O)CCc1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001491424006 893270927 /nfs/dbraw/zinc/27/09/27/893270927.db2.gz MMJIXZLCIOQEKE-SECBINFHSA-N 1 0 293.331 -1.529 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC(N)=O ZINC001491416977 893274664 /nfs/dbraw/zinc/27/46/64/893274664.db2.gz CFUVIQQDJGFWFG-RKDXNWHRSA-N 1 0 270.333 -1.353 20 30 CAEDRO C[C@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]CC(=O)NCC#N ZINC001491454981 893275451 /nfs/dbraw/zinc/27/54/51/893275451.db2.gz NHMCGKZFWNGTGQ-MNOVXSKESA-N 1 0 298.343 -1.474 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445256 893275477 /nfs/dbraw/zinc/27/54/77/893275477.db2.gz SYQZBQAJZIEWMJ-NXEZZACHSA-N 1 0 292.343 -1.339 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1nnc(C)[nH]1 ZINC001491451363 893275860 /nfs/dbraw/zinc/27/58/60/893275860.db2.gz GASSAJXIRQUANO-VIFPVBQESA-N 1 0 292.343 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CNC(=O)NC ZINC001491473627 893276701 /nfs/dbraw/zinc/27/67/01/893276701.db2.gz LCWMXRBHRGFREI-VIFPVBQESA-N 1 0 283.332 -2.241 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001491545449 893289647 /nfs/dbraw/zinc/28/96/47/893289647.db2.gz BRBCKPLZUABWJR-ZJUUUORDSA-N 1 0 280.328 -2.034 20 30 CAEDRO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)[NH2+]CC(=O)NCC#N ZINC001491569966 893294184 /nfs/dbraw/zinc/29/41/84/893294184.db2.gz WOPFGTCKLJYOOG-MRVPVSSYSA-N 1 0 294.315 -1.527 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001491564236 893295518 /nfs/dbraw/zinc/29/55/18/893295518.db2.gz KDLHJILTSHGWGV-SECBINFHSA-N 1 0 293.327 -1.220 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)NC(C)=O ZINC001491587899 893298100 /nfs/dbraw/zinc/29/81/00/893298100.db2.gz OJCYUQWKCLOJRS-ZYHUDNBSSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)NC(C)=O ZINC001491587896 893298769 /nfs/dbraw/zinc/29/87/69/893298769.db2.gz OJCYUQWKCLOJRS-CMPLNLGQSA-N 1 0 296.371 -1.255 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001491666471 893301149 /nfs/dbraw/zinc/30/11/49/893301149.db2.gz ZKYYOMXQQZPCGH-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001491665489 893302288 /nfs/dbraw/zinc/30/22/88/893302288.db2.gz SELSQMJOGRYKQC-QMMMGPOBSA-N 1 0 252.274 -1.734 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001491666470 893303225 /nfs/dbraw/zinc/30/32/25/893303225.db2.gz ZKYYOMXQQZPCGH-SECBINFHSA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCNC(N)=O ZINC001491663392 893303428 /nfs/dbraw/zinc/30/34/28/893303428.db2.gz AOVZHRYSALIQMG-NXEZZACHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001491676101 893305252 /nfs/dbraw/zinc/30/52/52/893305252.db2.gz VIMUEFPIWJQMGE-IUCAKERBSA-N 1 0 259.331 -1.594 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001491712765 893305964 /nfs/dbraw/zinc/30/59/64/893305964.db2.gz YGMOWXJQEQBKPK-LBPRGKRZSA-N 1 0 296.371 -1.043 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCCNC(=O)C(N)=O)CC1 ZINC001491728744 893306878 /nfs/dbraw/zinc/30/68/78/893306878.db2.gz VUWSFUIEJQZXRD-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491718603 893307690 /nfs/dbraw/zinc/30/76/90/893307690.db2.gz OYIWVQUPMDPRJR-ZJUUUORDSA-N 1 0 282.344 -1.257 20 30 CAEDRO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491712769 893309509 /nfs/dbraw/zinc/30/95/09/893309509.db2.gz YTZOIBUVEZBSHA-NSHDSACASA-N 1 0 295.343 -1.705 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491790116 893311821 /nfs/dbraw/zinc/31/18/21/893311821.db2.gz AMWYDMKVEZPYLN-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO COCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491778102 893312972 /nfs/dbraw/zinc/31/29/72/893312972.db2.gz NVCNEHQXTMYFCT-JTQLQIEISA-N 1 0 268.317 -1.289 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001491837540 893314459 /nfs/dbraw/zinc/31/44/59/893314459.db2.gz ARCHPRVBOQGFFU-RYUDHWBXSA-N 1 0 296.371 -1.009 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)Cn1cnnn1 ZINC001491980250 893319174 /nfs/dbraw/zinc/31/91/74/893319174.db2.gz WSKYCXFGNWTGDR-LLVKDONJSA-N 1 0 280.332 -1.193 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001492092510 893321160 /nfs/dbraw/zinc/32/11/60/893321160.db2.gz UDDOHTFOYQPEMM-SNVBAGLBSA-N 1 0 292.339 -1.185 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cn[nH]n1 ZINC001492046667 893322751 /nfs/dbraw/zinc/32/27/51/893322751.db2.gz NQDSCFABLJGYFL-VIFPVBQESA-N 1 0 278.316 -1.348 20 30 CAEDRO CC#CC[NH2+][C@H](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001492091576 893323276 /nfs/dbraw/zinc/32/32/76/893323276.db2.gz DZUGELSENLIDDU-PWSUYJOCSA-N 1 0 296.371 -1.126 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CNS(=O)(=O)NC ZINC001492062941 893323794 /nfs/dbraw/zinc/32/37/94/893323794.db2.gz SRTBGIOYKGSSGB-VIFPVBQESA-N 1 0 276.362 -1.842 20 30 CAEDRO C=CC[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001492311582 893338776 /nfs/dbraw/zinc/33/87/76/893338776.db2.gz YLHVSUYGUBMTFE-UHFFFAOYSA-N 1 0 253.306 -1.184 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001492309882 893338898 /nfs/dbraw/zinc/33/88/98/893338898.db2.gz DIPWBPMBXWEDEV-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C=CC[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001492293932 893339143 /nfs/dbraw/zinc/33/91/43/893339143.db2.gz RFLTYSFDLAGHMW-QMMMGPOBSA-N 1 0 254.290 -1.182 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001492409173 893347189 /nfs/dbraw/zinc/34/71/89/893347189.db2.gz SFLQNPSKPMGNAP-UHFFFAOYSA-N 1 0 285.329 -1.648 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001492437693 893352395 /nfs/dbraw/zinc/35/23/95/893352395.db2.gz IBRQLRAHPRYCOJ-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001492442123 893352563 /nfs/dbraw/zinc/35/25/63/893352563.db2.gz LXPWGIPBSWAUFQ-UHFFFAOYSA-N 1 0 292.339 -1.231 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001492414972 893353832 /nfs/dbraw/zinc/35/38/32/893353832.db2.gz ZUCLIZVSYWPVQQ-NWDGAFQWSA-N 1 0 297.355 -1.283 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001492441721 893354518 /nfs/dbraw/zinc/35/45/18/893354518.db2.gz HVDBKXYKKMGHOI-UHFFFAOYSA-N 1 0 292.339 -1.231 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001492835553 893361406 /nfs/dbraw/zinc/36/14/06/893361406.db2.gz MCSPZVUSYFLJOK-UHFFFAOYSA-N 1 0 265.317 -1.429 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001492862475 893362569 /nfs/dbraw/zinc/36/25/69/893362569.db2.gz CNKWEOJDMCNUQH-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO CC#CC[N@H+](CC)CCNC(=O)CN1CCNC(=O)C1 ZINC001493001694 893371199 /nfs/dbraw/zinc/37/11/99/893371199.db2.gz OIXJQDOHSZGXHC-UHFFFAOYSA-N 1 0 280.372 -1.120 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H]1CCCN1CC(=O)NC(N)=O ZINC001493087538 893377751 /nfs/dbraw/zinc/37/77/51/893377751.db2.gz QRGJSYXGAHUXSY-RKDXNWHRSA-N 1 0 281.316 -1.078 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001493190474 893381385 /nfs/dbraw/zinc/38/13/85/893381385.db2.gz QVJPLQVWRCHXNS-SNVBAGLBSA-N 1 0 282.344 -1.398 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493229780 893383057 /nfs/dbraw/zinc/38/30/57/893383057.db2.gz JMOFDPAZTBQPIP-NXEZZACHSA-N 1 0 282.344 -1.400 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001493212305 893384809 /nfs/dbraw/zinc/38/48/09/893384809.db2.gz VSOJABPJWMTMNN-ZJUUUORDSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001493253354 893390757 /nfs/dbraw/zinc/39/07/57/893390757.db2.gz QMIYNCAMUCRLLR-NSHDSACASA-N 1 0 292.339 -1.000 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)CNC(=O)CNC(C)=O)C1CC1 ZINC001493382013 893392360 /nfs/dbraw/zinc/39/23/60/893392360.db2.gz LPYYVZIEVYHLMO-UHFFFAOYSA-N 1 0 294.355 -1.548 20 30 CAEDRO COCC#CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001493408046 893396426 /nfs/dbraw/zinc/39/64/26/893396426.db2.gz UQYNSWDZSLMQCX-LBPRGKRZSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001493451185 893396798 /nfs/dbraw/zinc/39/67/98/893396798.db2.gz YQUKQUPZSCOOED-NSHDSACASA-N 1 0 285.369 -1.108 20 30 CAEDRO Cc1cnn(CC(=O)N(C)CC[NH2+]CC(=O)NCC#N)c1 ZINC001493489206 893401021 /nfs/dbraw/zinc/40/10/21/893401021.db2.gz YDJIOXCYXIRISO-UHFFFAOYSA-N 1 0 292.343 -1.121 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001493498600 893402432 /nfs/dbraw/zinc/40/24/32/893402432.db2.gz SQMRHYNISNWHDK-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CCNS(C)(=O)=O ZINC001493568065 893403965 /nfs/dbraw/zinc/40/39/65/893403965.db2.gz QMENYDBGVLRQHZ-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC ZINC001493547095 893404981 /nfs/dbraw/zinc/40/49/81/893404981.db2.gz RQIJCISRHNLYFY-JTQLQIEISA-N 1 0 298.343 -1.472 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1nnc(C)o1 ZINC001493537559 893405516 /nfs/dbraw/zinc/40/55/16/893405516.db2.gz IYTVODLGMMQTNY-UHFFFAOYSA-N 1 0 293.327 -1.282 20 30 CAEDRO CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C#CC1CC1 ZINC001493537837 893405550 /nfs/dbraw/zinc/40/55/50/893405550.db2.gz PHGYYTKEPDVFLJ-UHFFFAOYSA-N 1 0 266.301 -1.357 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1ncnn1 ZINC001493549090 893405680 /nfs/dbraw/zinc/40/56/80/893405680.db2.gz CVCJCAMFPSAVNG-JTQLQIEISA-N 1 0 293.331 -2.141 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001493555294 893405961 /nfs/dbraw/zinc/40/59/61/893405961.db2.gz NVZVVDIZHSEQKW-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001493654558 893407099 /nfs/dbraw/zinc/40/70/99/893407099.db2.gz FAMRYHDGFRKMCU-JTQLQIEISA-N 1 0 295.343 -2.193 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1n[nH]nc1C ZINC001493653300 893407574 /nfs/dbraw/zinc/40/75/74/893407574.db2.gz MIKHGSFCBXPRJN-JTQLQIEISA-N 1 0 292.343 -1.087 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001493655117 893407850 /nfs/dbraw/zinc/40/78/50/893407850.db2.gz UKBUEDJJZJDEMB-LLVKDONJSA-N 1 0 282.344 -1.292 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cn[nH]c(=O)c1 ZINC001493586721 893408924 /nfs/dbraw/zinc/40/89/24/893408924.db2.gz CPXNEIPACXVGHI-UHFFFAOYSA-N 1 0 292.299 -1.516 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(N)=O ZINC001493679555 893411321 /nfs/dbraw/zinc/41/13/21/893411321.db2.gz RLOPRMJRHSUPPJ-QMMMGPOBSA-N 1 0 299.331 -2.080 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1nnn(C)n1 ZINC001493657212 893412098 /nfs/dbraw/zinc/41/20/98/893412098.db2.gz PBLRDTZNLXCRCH-UHFFFAOYSA-N 1 0 280.292 -2.489 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001493732960 893414839 /nfs/dbraw/zinc/41/48/39/893414839.db2.gz RABOTSPOLMVFME-UHFFFAOYSA-N 1 0 251.286 -1.280 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1nc[nH]n1 ZINC001493735638 893414910 /nfs/dbraw/zinc/41/49/10/893414910.db2.gz RHFAHUSLBPRMSG-VIFPVBQESA-N 1 0 278.316 -1.396 20 30 CAEDRO C=CC[NH2+]CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001493708677 893415256 /nfs/dbraw/zinc/41/52/56/893415256.db2.gz BKSWXSYNWDLQGD-UHFFFAOYSA-N 1 0 278.378 -1.384 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001493787003 893415716 /nfs/dbraw/zinc/41/57/16/893415716.db2.gz HPEYIFYIWOXYSM-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C#CCNC(=O)CN1CC(NC(=O)CC[NH+](C)C)C1 ZINC001494444673 893436522 /nfs/dbraw/zinc/43/65/22/893436522.db2.gz WMAIQUNUYFFZPZ-UHFFFAOYSA-N 1 0 266.345 -1.512 20 30 CAEDRO C#CCNC(=O)CN1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494445305 893439077 /nfs/dbraw/zinc/43/90/77/893439077.db2.gz AXWDZSAZAZJFDL-UHFFFAOYSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001494552848 893447040 /nfs/dbraw/zinc/44/70/40/893447040.db2.gz HYENPBIVLAXYND-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cn1cnnn1 ZINC001494936796 893465549 /nfs/dbraw/zinc/46/55/49/893465549.db2.gz DMPSEKOJNIQHGL-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC(=O)N1 ZINC001494947108 893465745 /nfs/dbraw/zinc/46/57/45/893465745.db2.gz BEXTUARXJZDRDS-GHMZBOCLSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cn1cnnn1 ZINC001494936795 893465842 /nfs/dbraw/zinc/46/58/42/893465842.db2.gz DMPSEKOJNIQHGL-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCC1CCN(C(=O)C(N)=O)CC1 ZINC001495428425 893479685 /nfs/dbraw/zinc/47/96/85/893479685.db2.gz PIPFJFFDMZPWDF-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001495380413 893480234 /nfs/dbraw/zinc/48/02/34/893480234.db2.gz PISJLGRDOSPOSA-LLVKDONJSA-N 1 0 296.371 -1.008 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001495380416 893480296 /nfs/dbraw/zinc/48/02/96/893480296.db2.gz PISJLGRDOSPOSA-NSHDSACASA-N 1 0 296.371 -1.008 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)Cn1ncnn1 ZINC001495664088 893482682 /nfs/dbraw/zinc/48/26/82/893482682.db2.gz GROOMFIBQSLFNA-NSHDSACASA-N 1 0 280.332 -1.335 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001495717321 893486486 /nfs/dbraw/zinc/48/64/86/893486486.db2.gz MMOODCMVGBVEAH-ZJUUUORDSA-N 1 0 252.318 -1.015 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001495730489 893489422 /nfs/dbraw/zinc/48/94/22/893489422.db2.gz KGSHMHWJWDAWDJ-SNVBAGLBSA-N 1 0 294.355 -1.657 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1cnnn1 ZINC001496001858 893498058 /nfs/dbraw/zinc/49/80/58/893498058.db2.gz FMOSUXKVAPWFDK-VIFPVBQESA-N 1 0 294.319 -2.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CNC(=O)CC ZINC001496020061 893504277 /nfs/dbraw/zinc/50/42/77/893504277.db2.gz KUMRGGUGZAGWGC-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCN(C)C(=O)C(N)=O)CC1 ZINC001496141924 893508014 /nfs/dbraw/zinc/50/80/14/893508014.db2.gz LMCHPZXTPNZHIW-UHFFFAOYSA-N 1 0 294.355 -1.609 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001496249103 893510846 /nfs/dbraw/zinc/51/08/46/893510846.db2.gz MWEPOKCAGGRWNT-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001496171426 893512126 /nfs/dbraw/zinc/51/21/26/893512126.db2.gz RBVDLPCGJBCSGV-UWVGGRQHSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001496367892 893517267 /nfs/dbraw/zinc/51/72/67/893517267.db2.gz FKFVHQTVRVMAME-QWRGUYRKSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001496367888 893518124 /nfs/dbraw/zinc/51/81/24/893518124.db2.gz FKFVHQTVRVMAME-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)C(N)=O ZINC001496285627 893518748 /nfs/dbraw/zinc/51/87/48/893518748.db2.gz GCCWECTZGPGJSE-SNVBAGLBSA-N 1 0 282.344 -1.658 20 30 CAEDRO C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1C[NH2+]CC(=O)NCC#N ZINC001496484660 893520800 /nfs/dbraw/zinc/52/08/00/893520800.db2.gz XLJFILUMDONHPH-UWVGGRQHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001496756410 893530525 /nfs/dbraw/zinc/53/05/25/893530525.db2.gz DHSCSCKAUAOZNP-UHFFFAOYSA-N 1 0 266.345 -1.558 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001496837722 893538501 /nfs/dbraw/zinc/53/85/01/893538501.db2.gz FSRVXUMRRMSHIR-JTQLQIEISA-N 1 0 273.358 -1.299 20 30 CAEDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)o1 ZINC001496938467 893545889 /nfs/dbraw/zinc/54/58/89/893545889.db2.gz LLSAIXWPSYWYCU-JTQLQIEISA-N 1 0 294.311 -1.092 20 30 CAEDRO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)o1 ZINC001496938469 893546560 /nfs/dbraw/zinc/54/65/60/893546560.db2.gz LLSAIXWPSYWYCU-SNVBAGLBSA-N 1 0 294.311 -1.092 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCn1cncn1 ZINC001496938614 893546858 /nfs/dbraw/zinc/54/68/58/893546858.db2.gz CEGOUEVOGBMBEM-NSHDSACASA-N 1 0 265.317 -1.242 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001496937851 893549448 /nfs/dbraw/zinc/54/94/48/893549448.db2.gz IVGSAOXVRUBSES-UWVGGRQHSA-N 1 0 284.316 -2.128 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001496946740 893553179 /nfs/dbraw/zinc/55/31/79/893553179.db2.gz TYRQZAXIUXSDIQ-GHMZBOCLSA-N 1 0 256.302 -1.508 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001496949185 893553973 /nfs/dbraw/zinc/55/39/73/893553973.db2.gz BFQYIGIVRANWRO-LLVKDONJSA-N 1 0 250.302 -1.109 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccnn1C ZINC001496948260 893554760 /nfs/dbraw/zinc/55/47/60/893554760.db2.gz CNTVNASCTWMQBI-JTQLQIEISA-N 1 0 295.343 -1.597 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001496955591 893556686 /nfs/dbraw/zinc/55/66/86/893556686.db2.gz RBZXTQCEPNBWHA-RKDXNWHRSA-N 1 0 267.289 -2.147 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001496955100 893558021 /nfs/dbraw/zinc/55/80/21/893558021.db2.gz NDHZBDOSOXFLDU-VHSXEESVSA-N 1 0 291.373 -1.353 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001496955589 893559011 /nfs/dbraw/zinc/55/90/11/893559011.db2.gz RBZXTQCEPNBWHA-DTWKUNHWSA-N 1 0 267.289 -2.147 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001496955098 893559725 /nfs/dbraw/zinc/55/97/25/893559725.db2.gz NDHZBDOSOXFLDU-NXEZZACHSA-N 1 0 291.373 -1.353 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CC(=O)NCC ZINC001496969941 893560592 /nfs/dbraw/zinc/56/05/92/893560592.db2.gz UYXOOGQNEHHFPV-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001496964011 893560794 /nfs/dbraw/zinc/56/07/94/893560794.db2.gz FTLOVHAEQFZHET-LDYMZIIASA-N 1 0 266.301 -1.053 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001496961719 893564376 /nfs/dbraw/zinc/56/43/76/893564376.db2.gz QOAJWBSQOAVZHX-VXGBXAGGSA-N 1 0 269.345 -1.593 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCn1ccnn1 ZINC001496971360 893566299 /nfs/dbraw/zinc/56/62/99/893566299.db2.gz PZBDMRYRULLTSL-NSHDSACASA-N 1 0 265.317 -1.242 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001496977557 893566907 /nfs/dbraw/zinc/56/69/07/893566907.db2.gz OHUYKXNSZJZDEQ-WDEREUQCSA-N 1 0 267.329 -1.399 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001496977554 893567580 /nfs/dbraw/zinc/56/75/80/893567580.db2.gz OHUYKXNSZJZDEQ-GHMZBOCLSA-N 1 0 267.329 -1.399 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001496972673 893568404 /nfs/dbraw/zinc/56/84/04/893568404.db2.gz WYWOKHYQHCNQHD-QWRGUYRKSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001496977556 893568887 /nfs/dbraw/zinc/56/88/87/893568887.db2.gz OHUYKXNSZJZDEQ-QWRGUYRKSA-N 1 0 267.329 -1.399 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496980431 893571747 /nfs/dbraw/zinc/57/17/47/893571747.db2.gz OXPNJUITHAXTNQ-SNVBAGLBSA-N 1 0 253.302 -1.788 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CCOC)nn1 ZINC001496981809 893572156 /nfs/dbraw/zinc/57/21/56/893572156.db2.gz JLENKGPVHKDZOR-LLVKDONJSA-N 1 0 295.343 -1.372 20 30 CAEDRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C)C(N)=O ZINC001496980124 893572429 /nfs/dbraw/zinc/57/24/29/893572429.db2.gz MHYDHSIYCKEUFN-NXEZZACHSA-N 1 0 269.345 -1.024 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001496979886 893572674 /nfs/dbraw/zinc/57/26/74/893572674.db2.gz KUKOIHSFOKJWDW-VHSXEESVSA-N 1 0 295.343 -1.219 20 30 CAEDRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C)C(N)=O ZINC001496980131 893573045 /nfs/dbraw/zinc/57/30/45/893573045.db2.gz MHYDHSIYCKEUFN-ZJUUUORDSA-N 1 0 269.345 -1.024 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001496980112 893573529 /nfs/dbraw/zinc/57/35/29/893573529.db2.gz MCRVTBNONBSCAG-NSHDSACASA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496995551 893575935 /nfs/dbraw/zinc/57/59/35/893575935.db2.gz XWDWTQZVKPELQH-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001496996314 893575730 /nfs/dbraw/zinc/57/57/30/893575730.db2.gz ODYCJQGSFXXHKA-NWDGAFQWSA-N 1 0 297.355 -1.771 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001497004937 893575839 /nfs/dbraw/zinc/57/58/39/893575839.db2.gz KZOHRPBUCOMVJT-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001497001517 893576516 /nfs/dbraw/zinc/57/65/16/893576516.db2.gz IILSADSZQVMBBG-FZMZJTMJSA-N 1 0 281.356 -1.007 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001496996316 893576850 /nfs/dbraw/zinc/57/68/50/893576850.db2.gz ODYCJQGSFXXHKA-RYUDHWBXSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496995549 893578699 /nfs/dbraw/zinc/57/86/99/893578699.db2.gz XWDWTQZVKPELQH-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001497008441 893579662 /nfs/dbraw/zinc/57/96/62/893579662.db2.gz AOFYSIQMYQVALM-UWVGGRQHSA-N 1 0 293.327 -1.754 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001497008445 893580296 /nfs/dbraw/zinc/58/02/96/893580296.db2.gz AOFYSIQMYQVALM-ZJUUUORDSA-N 1 0 293.327 -1.754 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001497006966 893581402 /nfs/dbraw/zinc/58/14/02/893581402.db2.gz VWKLVKPMPQPHCB-SECBINFHSA-N 1 0 267.289 -1.865 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001497020262 893581586 /nfs/dbraw/zinc/58/15/86/893581586.db2.gz LVKBAROFFRFHMI-SNVBAGLBSA-N 1 0 296.302 -1.417 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001497006596 893581994 /nfs/dbraw/zinc/58/19/94/893581994.db2.gz SRVMZXJSIGTLPV-BDAKNGLRSA-N 1 0 296.331 -1.824 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1csnn1 ZINC001497025670 893585149 /nfs/dbraw/zinc/58/51/49/893585149.db2.gz QOMPJJGAQPVBTR-MRVPVSSYSA-N 1 0 297.340 -2.032 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001497035317 893588316 /nfs/dbraw/zinc/58/83/16/893588316.db2.gz VBLRGXJKXKRRDJ-UWVGGRQHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001497047140 893588608 /nfs/dbraw/zinc/58/86/08/893588608.db2.gz RNRPVAZNCMUHJE-MFKMUULPSA-N 1 0 267.329 -1.255 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001497042687 893589449 /nfs/dbraw/zinc/58/94/49/893589449.db2.gz ZODWGFORNNFKCP-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001497039113 893589633 /nfs/dbraw/zinc/58/96/33/893589633.db2.gz VSUDHFYZBJYMCW-SVDPJWKOSA-N 1 0 296.327 -2.415 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001497035316 893590925 /nfs/dbraw/zinc/59/09/25/893590925.db2.gz VBLRGXJKXKRRDJ-NXEZZACHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001497058831 893592743 /nfs/dbraw/zinc/59/27/43/893592743.db2.gz RYWDSNURHNGNTI-MRVPVSSYSA-N 1 0 266.301 -1.020 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001497060784 893594310 /nfs/dbraw/zinc/59/43/10/893594310.db2.gz DGXGHIQTTHOFKM-NXEZZACHSA-N 1 0 291.373 -1.986 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001497058937 893594704 /nfs/dbraw/zinc/59/47/04/893594704.db2.gz UMTNKSSMIUHHRN-AEJSXWLSSA-N 1 0 271.317 -1.871 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001497070961 893597784 /nfs/dbraw/zinc/59/77/84/893597784.db2.gz QVEIEPQGLMWWET-JTQLQIEISA-N 1 0 281.312 -1.871 20 30 CAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001497069679 893598188 /nfs/dbraw/zinc/59/81/88/893598188.db2.gz BXSJGGYDHVCSAI-SCVCMEIPSA-N 1 0 285.344 -1.480 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001497065978 893599470 /nfs/dbraw/zinc/59/94/70/893599470.db2.gz YRCZBACRQRKQHK-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]CCO)nn1 ZINC001497067853 893599594 /nfs/dbraw/zinc/59/95/94/893599594.db2.gz KHYYAINZGMGQFJ-SECBINFHSA-N 1 0 269.305 -1.863 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN(C)S(=O)(=O)CC ZINC001497083422 893601025 /nfs/dbraw/zinc/60/10/25/893601025.db2.gz TVNBDZGQQBNBBJ-SNVBAGLBSA-N 1 0 291.373 -2.032 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CN1CCC(=O)NC1=O ZINC001497083456 893601080 /nfs/dbraw/zinc/60/10/80/893601080.db2.gz REEGYDIDXMBKCK-SNVBAGLBSA-N 1 0 296.327 -1.982 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497090343 893601346 /nfs/dbraw/zinc/60/13/46/893601346.db2.gz FBZAGLWLRKXCGX-VIFPVBQESA-N 1 0 294.315 -2.837 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nocc1C ZINC001497082183 893601408 /nfs/dbraw/zinc/60/14/08/893601408.db2.gz LDYVLPUFANEFFD-SNVBAGLBSA-N 1 0 294.311 -1.587 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1nonc1C ZINC001497082811 893601829 /nfs/dbraw/zinc/60/18/29/893601829.db2.gz QYEYUTGIRPLSOQ-SECBINFHSA-N 1 0 252.274 -1.380 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCn1cnccc1=O ZINC001497081204 893602286 /nfs/dbraw/zinc/60/22/86/893602286.db2.gz LHIJCGKTQANQKV-LLVKDONJSA-N 1 0 280.328 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001497078618 893602310 /nfs/dbraw/zinc/60/23/10/893602310.db2.gz YQJXKYMQLFZYGO-MRVPVSSYSA-N 1 0 280.288 -2.766 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCCC(=O)N(C)C ZINC001497097903 893604544 /nfs/dbraw/zinc/60/45/44/893604544.db2.gz WRAQEZCZYUEPDY-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001497114589 893606107 /nfs/dbraw/zinc/60/61/07/893606107.db2.gz PMVWTJPDLVSOJC-SNVBAGLBSA-N 1 0 298.343 -1.477 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001497119633 893607729 /nfs/dbraw/zinc/60/77/29/893607729.db2.gz VWXABCLCBIDXRQ-NXEZZACHSA-N 1 0 276.358 -1.184 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cccnc1C(N)=O ZINC001497115655 893608088 /nfs/dbraw/zinc/60/80/88/893608088.db2.gz CLLPFWSQFVRVFT-SNVBAGLBSA-N 1 0 290.323 -1.116 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001497117678 893608247 /nfs/dbraw/zinc/60/82/47/893608247.db2.gz LAOZRGIUZOXOQG-CHWSQXEVSA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001497122338 893608318 /nfs/dbraw/zinc/60/83/18/893608318.db2.gz RKSFHZUAWJUTIN-SNVBAGLBSA-N 1 0 280.328 -1.573 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001497129028 893608515 /nfs/dbraw/zinc/60/85/15/893608515.db2.gz UDMLJJRDGRNXDT-DTWKUNHWSA-N 1 0 267.285 -2.261 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001497117680 893608740 /nfs/dbraw/zinc/60/87/40/893608740.db2.gz LAOZRGIUZOXOQG-QWHCGFSZSA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001497129029 893608834 /nfs/dbraw/zinc/60/88/34/893608834.db2.gz UDMLJJRDGRNXDT-IUCAKERBSA-N 1 0 267.285 -2.261 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001497129027 893608997 /nfs/dbraw/zinc/60/89/97/893608997.db2.gz UDMLJJRDGRNXDT-BDAKNGLRSA-N 1 0 267.285 -2.261 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001497117438 893609007 /nfs/dbraw/zinc/60/90/07/893609007.db2.gz GCJXJYQPONEUHC-NEPJUHHUSA-N 1 0 291.355 -1.151 20 30 CAEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497141482 893611252 /nfs/dbraw/zinc/61/12/52/893611252.db2.gz LUCWBTPAWNJZBF-LLVKDONJSA-N 1 0 280.332 -1.193 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001497260652 893613934 /nfs/dbraw/zinc/61/39/34/893613934.db2.gz YBNPXIVTTDZUDL-VHSXEESVSA-N 1 0 297.359 -1.546 20 30 CAEDRO CCN(CC[NH2+]CC#CCOC)C(=O)CC(N)=O ZINC001497368750 893615958 /nfs/dbraw/zinc/61/59/58/893615958.db2.gz RHRWVYYGSYSXJH-UHFFFAOYSA-N 1 0 255.318 -1.050 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)CC(N)=O ZINC001497368442 893616153 /nfs/dbraw/zinc/61/61/53/893616153.db2.gz NQSYMXXIKDMDNQ-SNVBAGLBSA-N 1 0 282.344 -1.562 20 30 CAEDRO CC#CC[NH2+]CCN(CC)C(=O)CNC(=O)CNC(C)=O ZINC001497418304 893617722 /nfs/dbraw/zinc/61/77/22/893617722.db2.gz QDEZEEBLCWNWFW-UHFFFAOYSA-N 1 0 296.371 -1.300 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnccn1 ZINC001497517085 893619204 /nfs/dbraw/zinc/61/92/04/893619204.db2.gz GZOLLRAYCUBSRT-UPHRSURJSA-N 1 0 288.311 -1.008 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001497454716 893619703 /nfs/dbraw/zinc/61/97/03/893619703.db2.gz MNXCRODXQHFBIK-MNOVXSKESA-N 1 0 294.355 -1.705 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497521149 893621385 /nfs/dbraw/zinc/62/13/85/893621385.db2.gz KYYCOTBQDILPTB-XOULXFPDSA-N 1 0 295.343 -1.587 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)CC(N)=O)C1=O ZINC001497551092 893623475 /nfs/dbraw/zinc/62/34/75/893623475.db2.gz UNUHPCUSAUXIRP-UFFNRZRYSA-N 1 0 294.355 -1.089 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CC(N)=O ZINC001497550716 893624541 /nfs/dbraw/zinc/62/45/41/893624541.db2.gz NXZDTAVTIJXWLK-YEZKRMTDSA-N 1 0 280.328 -1.738 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001497677752 893630574 /nfs/dbraw/zinc/63/05/74/893630574.db2.gz ALKISKREFHYOAG-YHROSDCASA-N 1 0 292.339 -1.881 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cccnn1 ZINC001497705593 893630989 /nfs/dbraw/zinc/63/09/89/893630989.db2.gz IYEHPYAWYYYDSZ-UPHRSURJSA-N 1 0 288.311 -1.008 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cccnn1 ZINC001497705592 893631994 /nfs/dbraw/zinc/63/19/94/893631994.db2.gz IYEHPYAWYYYDSZ-OWOJBTEDSA-N 1 0 288.311 -1.008 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497784646 893634202 /nfs/dbraw/zinc/63/42/02/893634202.db2.gz ICCWVZBPTCGTMH-SECBINFHSA-N 1 0 281.320 -1.930 20 30 CAEDRO C#CCOCCC(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497815514 893634676 /nfs/dbraw/zinc/63/46/76/893634676.db2.gz GOEOLEHBNWEPNV-GHMZBOCLSA-N 1 0 295.339 -1.074 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001497807645 893635123 /nfs/dbraw/zinc/63/51/23/893635123.db2.gz XUYXOGOVHWTKGF-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCOC1 ZINC001497794090 893635917 /nfs/dbraw/zinc/63/59/17/893635917.db2.gz APTXOMOAAYTZLK-MNOVXSKESA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001497793164 893636060 /nfs/dbraw/zinc/63/60/60/893636060.db2.gz SNMNXRBWECVOET-SECBINFHSA-N 1 0 263.301 -1.133 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001497822491 893637627 /nfs/dbraw/zinc/63/76/27/893637627.db2.gz JVKPMGDOBUMEEW-SECBINFHSA-N 1 0 261.347 -1.395 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCNC1=O ZINC001497833895 893638645 /nfs/dbraw/zinc/63/86/45/893638645.db2.gz VHWLKHVOMOOPOU-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001497833897 893639471 /nfs/dbraw/zinc/63/94/71/893639471.db2.gz VHWLKHVOMOOPOU-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001497950271 893640799 /nfs/dbraw/zinc/64/07/99/893640799.db2.gz CFICYDJBMSZSEA-SNVBAGLBSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001497940150 893641010 /nfs/dbraw/zinc/64/10/10/893641010.db2.gz JETQLCBLANYDAT-SNVBAGLBSA-N 1 0 294.355 -1.644 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001497940779 893641934 /nfs/dbraw/zinc/64/19/34/893641934.db2.gz XFXVFMGQGBJJML-SNVBAGLBSA-N 1 0 295.339 -1.217 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001497894127 893643258 /nfs/dbraw/zinc/64/32/58/893643258.db2.gz FINWWSSUTBWGGY-BDAKNGLRSA-N 1 0 283.332 -1.936 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497960882 893644497 /nfs/dbraw/zinc/64/44/97/893644497.db2.gz GLTAFGBRPNIKBL-NXEZZACHSA-N 1 0 295.347 -1.542 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001497958460 893645178 /nfs/dbraw/zinc/64/51/78/893645178.db2.gz DBAJNDFQNMONHF-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CSCC#N ZINC001498015532 893645352 /nfs/dbraw/zinc/64/53/52/893645352.db2.gz JSRWQJGGJYIFEO-VIFPVBQESA-N 1 0 283.357 -1.023 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC(=O)N1 ZINC001497966992 893647031 /nfs/dbraw/zinc/64/70/31/893647031.db2.gz JEGCAECVLZRGIN-BDAKNGLRSA-N 1 0 281.316 -2.001 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001498042228 893649113 /nfs/dbraw/zinc/64/91/13/893649113.db2.gz MGXVRRDXCFPAJL-UWVGGRQHSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)n1cncn1 ZINC001498032960 893649532 /nfs/dbraw/zinc/64/95/32/893649532.db2.gz FOISKOUPNMMLPR-WDEREUQCSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001498042765 893649713 /nfs/dbraw/zinc/64/97/13/893649713.db2.gz XENPCYNEHDVMSF-UWVGGRQHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)[C@@H](C)C#N ZINC001498023905 893649782 /nfs/dbraw/zinc/64/97/82/893649782.db2.gz UDKLASPHPZPDHQ-UWVGGRQHSA-N 1 0 295.343 -1.801 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001498113293 893657728 /nfs/dbraw/zinc/65/77/28/893657728.db2.gz WUOVJUMUNHOVMF-LPEHRKFASA-N 1 0 253.302 -1.253 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001498127170 893658214 /nfs/dbraw/zinc/65/82/14/893658214.db2.gz DNLXBIHWIOYPFB-IUCAKERBSA-N 1 0 266.301 -1.298 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001498140325 893660826 /nfs/dbraw/zinc/66/08/26/893660826.db2.gz JPRCKMPMAJEKHW-JTQLQIEISA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1nonc1C ZINC001498150783 893661309 /nfs/dbraw/zinc/66/13/09/893661309.db2.gz ALIWUCVMBSAZSU-VIFPVBQESA-N 1 0 293.327 -1.236 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001498181283 893664224 /nfs/dbraw/zinc/66/42/24/893664224.db2.gz MFPRBXNQECLRAR-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001498355596 893671330 /nfs/dbraw/zinc/67/13/30/893671330.db2.gz INMWLPBWWUBMSV-NSHDSACASA-N 1 0 266.345 -1.512 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001498369555 893674397 /nfs/dbraw/zinc/67/43/97/893674397.db2.gz OAZWAXXSABABBJ-MNOVXSKESA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001498369556 893674454 /nfs/dbraw/zinc/67/44/54/893674454.db2.gz OAZWAXXSABABBJ-QWRGUYRKSA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001498369554 893675788 /nfs/dbraw/zinc/67/57/88/893675788.db2.gz OAZWAXXSABABBJ-GHMZBOCLSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001498442863 893680237 /nfs/dbraw/zinc/68/02/37/893680237.db2.gz FXFLUOXLRGTWKJ-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO CC(=O)NCC(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001498507082 893681689 /nfs/dbraw/zinc/68/16/89/893681689.db2.gz DFGHMKYLGIHNBD-UHFFFAOYSA-N 1 0 283.332 -1.800 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CNC(=O)CNC(C)=O ZINC001498567672 893684815 /nfs/dbraw/zinc/68/48/15/893684815.db2.gz ITFBTWFDLVWOLQ-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C(N)=O ZINC001498604491 893685359 /nfs/dbraw/zinc/68/53/59/893685359.db2.gz CUBWNTVDVQKHKI-SECBINFHSA-N 1 0 268.317 -1.952 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001498814014 893692111 /nfs/dbraw/zinc/69/21/11/893692111.db2.gz HAODLMZVFNAITB-NXEZZACHSA-N 1 0 250.302 -1.215 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001498814020 893694469 /nfs/dbraw/zinc/69/44/69/893694469.db2.gz HAODLMZVFNAITB-ZJUUUORDSA-N 1 0 250.302 -1.215 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001498828934 893694722 /nfs/dbraw/zinc/69/47/22/893694722.db2.gz OLDGVQWHINTIQY-UWVGGRQHSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499226073 893708036 /nfs/dbraw/zinc/70/80/36/893708036.db2.gz MGPUKWFZAGSOQO-SECBINFHSA-N 1 0 253.302 -1.252 20 30 CAEDRO N#CCSCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499160689 893709502 /nfs/dbraw/zinc/70/95/02/893709502.db2.gz DZCUJAVZFFMBKO-UHFFFAOYSA-N 1 0 256.331 -1.033 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499226077 893710429 /nfs/dbraw/zinc/71/04/29/893710429.db2.gz MGPUKWFZAGSOQO-VIFPVBQESA-N 1 0 253.302 -1.252 20 30 CAEDRO NC(=O)NC(=O)C[NH2+]C1(CNC(=O)C#CC2CC2)CC1 ZINC001499221260 893711134 /nfs/dbraw/zinc/71/11/34/893711134.db2.gz KMCKFGAKQHPZJP-UHFFFAOYSA-N 1 0 278.312 -1.167 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)CNS(=O)(=O)NC)CC1 ZINC001499302085 893712803 /nfs/dbraw/zinc/71/28/03/893712803.db2.gz RZPFGEBFSYZJPP-UHFFFAOYSA-N 1 0 288.373 -1.698 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001499336547 893717421 /nfs/dbraw/zinc/71/74/21/893717421.db2.gz XGVYISKTUADPHW-QMMMGPOBSA-N 1 0 268.317 -1.599 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001499364870 893718422 /nfs/dbraw/zinc/71/84/22/893718422.db2.gz HEEUPGDSFYGCGN-QMMMGPOBSA-N 1 0 264.285 -1.544 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CNC(C)=O ZINC001499865933 893724555 /nfs/dbraw/zinc/72/45/55/893724555.db2.gz DTJPJGYGTDTXNF-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)CNC(C)=O ZINC001499905450 893724666 /nfs/dbraw/zinc/72/46/66/893724666.db2.gz PIBHXNCZGCMNIX-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001499954551 893728094 /nfs/dbraw/zinc/72/80/94/893728094.db2.gz DSTRQQSGWBQSFB-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001499934768 893729265 /nfs/dbraw/zinc/72/92/65/893729265.db2.gz JSHGUFOPCPWYFB-SNVBAGLBSA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001499954550 893729506 /nfs/dbraw/zinc/72/95/06/893729506.db2.gz DSTRQQSGWBQSFB-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001500221522 893731399 /nfs/dbraw/zinc/73/13/99/893731399.db2.gz UTDGAGXHJASXDC-ZDUSSCGKSA-N 1 0 292.343 -1.097 20 30 CAEDRO C=CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500630893 893740105 /nfs/dbraw/zinc/74/01/05/893740105.db2.gz DNMUOYIIJGXFHT-GFCCVEGCSA-N 1 0 280.332 -1.198 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500677664 893744191 /nfs/dbraw/zinc/74/41/91/893744191.db2.gz OFVDDLVGBPYBEL-DGCLKSJQSA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001500689621 893744490 /nfs/dbraw/zinc/74/44/90/893744490.db2.gz NGSNPWWKTIVLFR-CYBMUJFWSA-N 1 0 276.296 -1.018 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001500706596 893745976 /nfs/dbraw/zinc/74/59/76/893745976.db2.gz JLHRBZDNSSNNSP-FZMZJTMJSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001500706598 893746303 /nfs/dbraw/zinc/74/63/03/893746303.db2.gz JLHRBZDNSSNNSP-SMDDNHRTSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCOCCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500677836 893747147 /nfs/dbraw/zinc/74/71/47/893747147.db2.gz RXULAFYAWGQXSK-ZDUSSCGKSA-N 1 0 270.329 -1.428 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500677666 893747512 /nfs/dbraw/zinc/74/75/12/893747512.db2.gz OFVDDLVGBPYBEL-YPMHNXCESA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001500718030 893750503 /nfs/dbraw/zinc/75/05/03/893750503.db2.gz LCMNNDGROUPDIA-CQSZACIVSA-N 1 0 290.323 -1.040 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001500707816 893751204 /nfs/dbraw/zinc/75/12/04/893751204.db2.gz ZDHQTQOAVUBROL-ZWNOBZJWSA-N 1 0 267.329 -1.139 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001500717581 893752761 /nfs/dbraw/zinc/75/27/61/893752761.db2.gz BAZKSGPZMUSVEP-GFCCVEGCSA-N 1 0 269.301 -2.326 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001500759547 893754375 /nfs/dbraw/zinc/75/43/75/893754375.db2.gz YVXAESKFKPQSLF-CYBMUJFWSA-N 1 0 277.328 -1.146 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001500759347 893754600 /nfs/dbraw/zinc/75/46/00/893754600.db2.gz VGDAIFVXEXYLNK-CQSZACIVSA-N 1 0 293.323 -1.678 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001500759549 893757412 /nfs/dbraw/zinc/75/74/12/893757412.db2.gz YVXAESKFKPQSLF-ZDUSSCGKSA-N 1 0 277.328 -1.146 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001501323743 893786662 /nfs/dbraw/zinc/78/66/62/893786662.db2.gz NFEGIHFHHHWUKF-TZMCWYRMSA-N 1 0 284.356 -1.040 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H](C)C#N ZINC001501443780 893797665 /nfs/dbraw/zinc/79/76/65/893797665.db2.gz UMNAIJOUVQDWLI-SECBINFHSA-N 1 0 299.331 -1.988 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+]CC(=O)NC1CC1 ZINC001501442928 893797698 /nfs/dbraw/zinc/79/76/98/893797698.db2.gz HVKODCJOIOFZHQ-JTQLQIEISA-N 1 0 282.344 -1.165 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1ncn(C)n1 ZINC001501455169 893801675 /nfs/dbraw/zinc/80/16/75/893801675.db2.gz MHJIMQGZNAHNQR-UHFFFAOYSA-N 1 0 265.317 -1.138 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001501460724 893802919 /nfs/dbraw/zinc/80/29/19/893802919.db2.gz MENLDZCBVAQBSA-UHFFFAOYSA-N 1 0 288.369 -1.535 20 30 CAEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)Cn1ncn(C)c1=O ZINC001501468959 893803582 /nfs/dbraw/zinc/80/35/82/893803582.db2.gz FBCUJHOZYZIBHD-UHFFFAOYSA-N 1 0 297.359 -1.432 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001501464062 893803916 /nfs/dbraw/zinc/80/39/16/893803916.db2.gz OIUMRIWTYZHGKH-UHFFFAOYSA-N 1 0 269.345 -1.068 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN(C)S(C)(=O)=O ZINC001501460694 893804418 /nfs/dbraw/zinc/80/44/18/893804418.db2.gz LGOCHXQMQDOGID-UHFFFAOYSA-N 1 0 291.373 -2.079 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)c1cnn(C)n1 ZINC001501499891 893813053 /nfs/dbraw/zinc/81/30/53/893813053.db2.gz ZXKDIMJORSTTAA-UHFFFAOYSA-N 1 0 265.317 -1.138 20 30 CAEDRO N#CCNCCN(CCO)C(=O)Cn1ccnc1 ZINC001501518604 893814611 /nfs/dbraw/zinc/81/46/11/893814611.db2.gz IAEZTCWHWCEZAT-UHFFFAOYSA-N 1 0 251.290 -1.183 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)CCn1cnnn1 ZINC001501501200 893814885 /nfs/dbraw/zinc/81/48/85/893814885.db2.gz SPBDDQZJZVHIEV-UHFFFAOYSA-N 1 0 280.332 -1.503 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCC1 ZINC001501995733 893829154 /nfs/dbraw/zinc/82/91/54/893829154.db2.gz FVGASVNYULDHMS-UHFFFAOYSA-N 1 0 268.317 -1.598 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C(N)=O ZINC001501886689 893830800 /nfs/dbraw/zinc/83/08/00/893830800.db2.gz LINQGFVNVGWCPC-SNVBAGLBSA-N 1 0 282.344 -1.255 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001502051334 893834241 /nfs/dbraw/zinc/83/42/41/893834241.db2.gz NSQRCCOIQPYHEO-ZWNOBZJWSA-N 1 0 285.344 -1.384 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001502035840 893834890 /nfs/dbraw/zinc/83/48/90/893834890.db2.gz IVPKZYDMEXKYQV-SNVBAGLBSA-N 1 0 264.289 -1.877 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC)CCO1 ZINC001502035845 893835414 /nfs/dbraw/zinc/83/54/14/893835414.db2.gz IZTVOMBAAFMCSD-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001502035839 893836446 /nfs/dbraw/zinc/83/64/46/893836446.db2.gz IVPKZYDMEXKYQV-JTQLQIEISA-N 1 0 264.289 -1.877 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001502068631 893838784 /nfs/dbraw/zinc/83/87/84/893838784.db2.gz HOAOUKVPDXYHPB-WDEREUQCSA-N 1 0 280.328 -1.540 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001502068628 893839485 /nfs/dbraw/zinc/83/94/85/893839485.db2.gz HOAOUKVPDXYHPB-GHMZBOCLSA-N 1 0 280.328 -1.540 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)CS(C)(=O)=O)CCOCC1 ZINC001502616624 893854253 /nfs/dbraw/zinc/85/42/53/893854253.db2.gz UDLSNRSUWLLRIH-UHFFFAOYSA-N 1 0 288.369 -1.081 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 ZINC001502599957 893855942 /nfs/dbraw/zinc/85/59/42/893855942.db2.gz KVLRJUGSJFQXFN-CYBMUJFWSA-N 1 0 282.344 -1.379 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001502725113 893858681 /nfs/dbraw/zinc/85/86/81/893858681.db2.gz SACAGYNRRVGOSP-GXSJLCMTSA-N 1 0 290.327 -1.396 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001502698118 893860622 /nfs/dbraw/zinc/86/06/22/893860622.db2.gz LVSRRCLTRWTSNJ-JQWIXIFHSA-N 1 0 296.371 -1.139 20 30 CAEDRO COCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001502696769 893860785 /nfs/dbraw/zinc/86/07/85/893860785.db2.gz HVSXUZOLVKQVGZ-ZJUUUORDSA-N 1 0 268.317 -1.291 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC001502968221 893862947 /nfs/dbraw/zinc/86/29/47/893862947.db2.gz LHAGKRMWTWJVNK-NXEZZACHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CC[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001502861768 893863351 /nfs/dbraw/zinc/86/33/51/893863351.db2.gz VSVLFLZEPNQVFH-UHFFFAOYSA-N 1 0 255.318 -1.009 20 30 CAEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001502852425 893865748 /nfs/dbraw/zinc/86/57/48/893865748.db2.gz XEXRBHXACUYWNA-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C(N)=O ZINC001503457674 893868097 /nfs/dbraw/zinc/86/80/97/893868097.db2.gz ALBMDDUAMFVSCM-QMMMGPOBSA-N 1 0 256.306 -1.742 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001503899121 893868688 /nfs/dbraw/zinc/86/86/88/893868688.db2.gz BEVAAHQZBUUSAB-CYBMUJFWSA-N 1 0 295.383 -1.107 20 30 CAEDRO C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001505386546 893870776 /nfs/dbraw/zinc/87/07/76/893870776.db2.gz RZEGZNFJURFRJF-SNVBAGLBSA-N 1 0 282.344 -1.203 20 30 CAEDRO C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001505386545 893872157 /nfs/dbraw/zinc/87/21/57/893872157.db2.gz RZEGZNFJURFRJF-JTQLQIEISA-N 1 0 282.344 -1.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1CC(NC(=O)c2nnc[nH]2)C1 ZINC001505525449 893881216 /nfs/dbraw/zinc/88/12/16/893881216.db2.gz ZTKOPDLOQYVCSQ-UHFFFAOYSA-N 1 0 290.327 -1.348 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001505606917 893884266 /nfs/dbraw/zinc/88/42/66/893884266.db2.gz YBJUWFCKDRIRMD-ZJUUUORDSA-N 1 0 295.347 -1.542 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001505618228 893884912 /nfs/dbraw/zinc/88/49/12/893884912.db2.gz IPCVTXBDCHZAHS-VHSXEESVSA-N 1 0 299.375 -1.300 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001505618226 893885001 /nfs/dbraw/zinc/88/50/01/893885001.db2.gz IPCVTXBDCHZAHS-NXEZZACHSA-N 1 0 299.375 -1.300 20 30 CAEDRO C[C@@H](NC(=O)c1ncn(C)n1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001505598167 893885788 /nfs/dbraw/zinc/88/57/88/893885788.db2.gz AEEFCZDYSPUPKL-DTWKUNHWSA-N 1 0 293.331 -1.449 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CNC(=O)NC ZINC001505618227 893886549 /nfs/dbraw/zinc/88/65/49/893886549.db2.gz IPCVTXBDCHZAHS-UWVGGRQHSA-N 1 0 299.375 -1.300 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001505680820 893888694 /nfs/dbraw/zinc/88/86/94/893888694.db2.gz FTNWYJNZHYVUGV-UWVGGRQHSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001505671423 893890517 /nfs/dbraw/zinc/89/05/17/893890517.db2.gz RKDUBZVHODOAQD-BDAKNGLRSA-N 1 0 293.331 -1.944 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505661718 893890685 /nfs/dbraw/zinc/89/06/85/893890685.db2.gz ZBNXSKMXSKAVPP-NXEZZACHSA-N 1 0 290.389 -1.454 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001505982025 893905076 /nfs/dbraw/zinc/90/50/76/893905076.db2.gz VLOPWBWCSDSSFT-JTQLQIEISA-N 1 0 280.332 -1.090 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001506008085 893909647 /nfs/dbraw/zinc/90/96/47/893909647.db2.gz PCCZGLQCUVZUFH-VHSXEESVSA-N 1 0 275.374 -1.006 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001505991704 893911545 /nfs/dbraw/zinc/91/15/45/893911545.db2.gz YLWGXBHTQJGHRU-WDEREUQCSA-N 1 0 282.344 -1.246 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001506772367 893940354 /nfs/dbraw/zinc/94/03/54/893940354.db2.gz JVWJJZKRVFZJFU-AATLWQCWSA-N 1 0 250.302 -1.075 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CS(=O)(=O)NC)[C@@H]2C1 ZINC001506827495 893942017 /nfs/dbraw/zinc/94/20/17/893942017.db2.gz FNLOOPXDYLZNBA-CNDDSTCGSA-N 1 0 299.396 -1.147 20 30 CAEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001506789498 893943528 /nfs/dbraw/zinc/94/35/28/893943528.db2.gz WRWVXCQCWBJRDW-CNDDSTCGSA-N 1 0 274.328 -1.010 20 30 CAEDRO COCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001506830207 893944278 /nfs/dbraw/zinc/94/42/78/893944278.db2.gz DSJJYQOPFLMCSV-GHMZBOCLSA-N 1 0 298.343 -1.522 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)COC)C1 ZINC001506874735 893946232 /nfs/dbraw/zinc/94/62/32/893946232.db2.gz BDBSGXNFRKHYHO-XYPYZODXSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001506895142 893946292 /nfs/dbraw/zinc/94/62/92/893946292.db2.gz VDRMLVNMRZNVNP-KYZUINATSA-N 1 0 266.301 -2.295 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506884553 893948308 /nfs/dbraw/zinc/94/83/08/893948308.db2.gz UGXPECBJDJBETE-GMTAPVOTSA-N 1 0 267.329 -1.006 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(N)=O ZINC001507020834 893950132 /nfs/dbraw/zinc/95/01/32/893950132.db2.gz AGMRPEMNGGKJTR-SNVBAGLBSA-N 1 0 280.328 -1.952 20 30 CAEDRO C=CCOCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001507058468 893955996 /nfs/dbraw/zinc/95/59/96/893955996.db2.gz BGUBZQNBOVMDGM-SECBINFHSA-N 1 0 286.332 -1.180 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O ZINC001507071341 893957112 /nfs/dbraw/zinc/95/71/12/893957112.db2.gz LISUNRVOYBYXNL-NXEZZACHSA-N 1 0 255.318 -1.054 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001507111284 893957135 /nfs/dbraw/zinc/95/71/35/893957135.db2.gz SXTMQAZBDDRYIY-QWRGUYRKSA-N 1 0 296.371 -1.316 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001507148986 893959629 /nfs/dbraw/zinc/95/96/29/893959629.db2.gz TWNJYNJDPMVTAD-SNVBAGLBSA-N 1 0 275.374 -1.053 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)COC)C1=O ZINC001507168256 893964349 /nfs/dbraw/zinc/96/43/49/893964349.db2.gz NTYYVVFLNOEVID-WDEREUQCSA-N 1 0 285.344 -1.514 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)COC)C1=O ZINC001507168253 893964893 /nfs/dbraw/zinc/96/48/93/893964893.db2.gz NTYYVVFLNOEVID-GHMZBOCLSA-N 1 0 285.344 -1.514 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CCC ZINC001507167699 893964919 /nfs/dbraw/zinc/96/49/19/893964919.db2.gz MWFAZVSLZKJIID-MNOVXSKESA-N 1 0 269.345 -1.009 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCCC1 ZINC001507167816 893965369 /nfs/dbraw/zinc/96/53/69/893965369.db2.gz MYNOTMKCDANKMX-LLVKDONJSA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc[nH]1 ZINC001507171351 893965353 /nfs/dbraw/zinc/96/53/53/893965353.db2.gz BXAVPSHIMKQAFJ-JTQLQIEISA-N 1 0 278.312 -1.556 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CCC ZINC001507167702 893967410 /nfs/dbraw/zinc/96/74/10/893967410.db2.gz MWFAZVSLZKJIID-WDEREUQCSA-N 1 0 269.345 -1.009 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001507176335 893969196 /nfs/dbraw/zinc/96/91/96/893969196.db2.gz GKTSHQOTYGEPNG-GHMZBOCLSA-N 1 0 298.343 -1.738 20 30 CAEDRO C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CSCC#N ZINC001507175229 893970761 /nfs/dbraw/zinc/97/07/61/893970761.db2.gz ROSSMTXIACUABZ-BDAKNGLRSA-N 1 0 261.347 -1.309 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cccn1C ZINC001507174437 893970928 /nfs/dbraw/zinc/97/09/28/893970928.db2.gz KJVFXVLPBQZRKD-NSHDSACASA-N 1 0 292.339 -1.545 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccn1C ZINC001507174430 893971012 /nfs/dbraw/zinc/97/10/12/893971012.db2.gz KJVFXVLPBQZRKD-LLVKDONJSA-N 1 0 292.339 -1.545 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001507176336 893971182 /nfs/dbraw/zinc/97/11/82/893971182.db2.gz GKTSHQOTYGEPNG-MNOVXSKESA-N 1 0 298.343 -1.738 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001507179391 893972961 /nfs/dbraw/zinc/97/29/61/893972961.db2.gz WWAPHOUJFKTBMH-GXSJLCMTSA-N 1 0 293.327 -1.772 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001507177929 893973317 /nfs/dbraw/zinc/97/33/17/893973317.db2.gz GIECOMBITRSQJQ-NWDGAFQWSA-N 1 0 270.329 -1.261 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C)n[nH]1 ZINC001507177407 893973508 /nfs/dbraw/zinc/97/35/08/893973508.db2.gz BFUJTVWKQPDUGN-JTQLQIEISA-N 1 0 295.343 -1.299 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccnn1C ZINC001507178787 893973949 /nfs/dbraw/zinc/97/39/49/893973949.db2.gz JUWKOXQAYBOHKI-LLVKDONJSA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CNC(=O)OC ZINC001507179285 893974521 /nfs/dbraw/zinc/97/45/21/893974521.db2.gz LAADFEXTOREQDW-SECBINFHSA-N 1 0 257.290 -1.568 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CNC(=O)CC ZINC001507177986 893975774 /nfs/dbraw/zinc/97/57/74/893975774.db2.gz IUNSPCVCVNGLID-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001507179392 893976103 /nfs/dbraw/zinc/97/61/03/893976103.db2.gz WWAPHOUJFKTBMH-KOLCDFICSA-N 1 0 293.327 -1.772 20 30 CAEDRO CC(C)(C)C(=O)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001507182146 893979298 /nfs/dbraw/zinc/97/92/98/893979298.db2.gz HFCDWLORPQZODO-VIFPVBQESA-N 1 0 298.343 -1.692 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nccnc1N ZINC001507183375 893979605 /nfs/dbraw/zinc/97/96/05/893979605.db2.gz RNYVVSSAUWJVOF-SECBINFHSA-N 1 0 263.301 -1.238 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001507180322 893980137 /nfs/dbraw/zinc/98/01/37/893980137.db2.gz UFEHECZEQVXKPF-NXEZZACHSA-N 1 0 266.301 -2.038 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001507187584 893983242 /nfs/dbraw/zinc/98/32/42/893983242.db2.gz DSDBYQIBRSLOFJ-VIFPVBQESA-N 1 0 251.290 -1.481 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC1(O)CCC1 ZINC001507190452 893983901 /nfs/dbraw/zinc/98/39/01/893983901.db2.gz RSLKJMWZNNXHEM-NSHDSACASA-N 1 0 297.355 -1.892 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507195559 893986238 /nfs/dbraw/zinc/98/62/38/893986238.db2.gz OAZJIGZRWWJUHK-QWRGUYRKSA-N 1 0 267.329 -1.255 20 30 CAEDRO NC(=O)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001507195063 893986281 /nfs/dbraw/zinc/98/62/81/893986281.db2.gz SAAFRMXDOZMZHJ-SECBINFHSA-N 1 0 282.300 -2.339 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507195557 893986936 /nfs/dbraw/zinc/98/69/36/893986936.db2.gz OAZJIGZRWWJUHK-GHMZBOCLSA-N 1 0 267.329 -1.255 20 30 CAEDRO CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC2CC2)C1=O ZINC001507195126 893987805 /nfs/dbraw/zinc/98/78/05/893987805.db2.gz SRMBKEHMFQEGFE-NEPJUHHUSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1coc(C)n1 ZINC001507193660 893988021 /nfs/dbraw/zinc/98/80/21/893988021.db2.gz NTGOOXWXJSZKIE-SNVBAGLBSA-N 1 0 294.311 -1.587 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CNC(=O)N1CCCC1 ZINC001507194819 893988135 /nfs/dbraw/zinc/98/81/35/893988135.db2.gz RTYCWWYISRFOJU-LBPRGKRZSA-N 1 0 296.371 -1.118 20 30 CAEDRO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001507193665 893988165 /nfs/dbraw/zinc/98/81/65/893988165.db2.gz LQWMKFJSKDKRSB-LBPRGKRZSA-N 1 0 281.356 -1.009 20 30 CAEDRO CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C#CC2CC2)C1=O ZINC001507195128 893988722 /nfs/dbraw/zinc/98/87/22/893988722.db2.gz SRMBKEHMFQEGFE-RYUDHWBXSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507195558 893988955 /nfs/dbraw/zinc/98/89/55/893988955.db2.gz OAZJIGZRWWJUHK-MNOVXSKESA-N 1 0 267.329 -1.255 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507195562 893989352 /nfs/dbraw/zinc/98/93/52/893989352.db2.gz OAZJIGZRWWJUHK-WDEREUQCSA-N 1 0 267.329 -1.255 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001507192671 893989444 /nfs/dbraw/zinc/98/94/44/893989444.db2.gz FQGXSOJPSJEMDQ-GZMMTYOYSA-N 1 0 259.306 -2.135 20 30 CAEDRO CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC2CC2)C1=O ZINC001507195127 893989724 /nfs/dbraw/zinc/98/97/24/893989724.db2.gz SRMBKEHMFQEGFE-NWDGAFQWSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001507201894 893991082 /nfs/dbraw/zinc/99/10/82/893991082.db2.gz PNMADGXMXJTUJZ-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001507202752 893993326 /nfs/dbraw/zinc/99/33/26/893993326.db2.gz YQADKXZWBWEMRD-UWVGGRQHSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001507201643 893993453 /nfs/dbraw/zinc/99/34/53/893993453.db2.gz ITAUUVPYOROFLN-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001507200962 893993551 /nfs/dbraw/zinc/99/35/51/893993551.db2.gz FVCKRGWFDODGKU-VXGBXAGGSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001507204474 893995974 /nfs/dbraw/zinc/99/59/74/893995974.db2.gz RKBNZDLXHCCWAG-QMMMGPOBSA-N 1 0 274.284 -1.334 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001507214627 893996642 /nfs/dbraw/zinc/99/66/42/893996642.db2.gz IPJRNLMFEWHBEQ-RYUDHWBXSA-N 1 0 291.355 -1.070 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001507214628 893997053 /nfs/dbraw/zinc/99/70/53/893997053.db2.gz IPJRNLMFEWHBEQ-VXGBXAGGSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=C(C)CCC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001507205477 893997502 /nfs/dbraw/zinc/99/75/02/893997502.db2.gz DIFGFBMIXDAUBK-SECBINFHSA-N 1 0 286.332 -1.396 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001507206122 893997609 /nfs/dbraw/zinc/99/76/09/893997609.db2.gz YBHDDRSEXYXOQI-BDAKNGLRSA-N 1 0 282.300 -2.326 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001507206130 893997788 /nfs/dbraw/zinc/99/77/88/893997788.db2.gz YBHDDRSEXYXOQI-IUCAKERBSA-N 1 0 282.300 -2.326 20 30 CAEDRO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001507205479 893997946 /nfs/dbraw/zinc/99/79/46/893997946.db2.gz DIFGFBMIXDAUBK-VIFPVBQESA-N 1 0 286.332 -1.396 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001507223947 893999885 /nfs/dbraw/zinc/99/98/85/893999885.db2.gz AHIZKQQGVVLNFQ-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CCN1C(=O)CCC1=O ZINC001507215998 894002682 /nfs/dbraw/zinc/00/26/82/894002682.db2.gz LIPODYHDGJCIQG-LLVKDONJSA-N 1 0 295.339 -1.385 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001507227270 894003671 /nfs/dbraw/zinc/00/36/71/894003671.db2.gz VSMOAVBZSVQUKE-QMMMGPOBSA-N 1 0 295.303 -3.360 20 30 CAEDRO CC(C)[C@@H](F)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001507226118 894004946 /nfs/dbraw/zinc/00/49/46/894004946.db2.gz PWWSLYNVEKWZSI-GXSJLCMTSA-N 1 0 288.323 -1.313 20 30 CAEDRO CC(C)[C@H](F)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001507226121 894005652 /nfs/dbraw/zinc/00/56/52/894005652.db2.gz PWWSLYNVEKWZSI-ONGXEEELSA-N 1 0 288.323 -1.313 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001507227621 894007851 /nfs/dbraw/zinc/00/78/51/894007851.db2.gz XXXDJQPYWGGPCQ-GHMZBOCLSA-N 1 0 283.328 -2.161 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001507227135 894008034 /nfs/dbraw/zinc/00/80/34/894008034.db2.gz VTBCIURBFALCQO-UWVGGRQHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)c1 ZINC001507233606 894013527 /nfs/dbraw/zinc/01/35/27/894013527.db2.gz QVQUFCWJIZFKSN-LBPRGKRZSA-N 1 0 290.323 -1.511 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1nnnc1C(C)C ZINC001507246468 894019915 /nfs/dbraw/zinc/01/99/15/894019915.db2.gz LFZKITBAJDFCOJ-SNVBAGLBSA-N 1 0 280.332 -1.504 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1oncc1C ZINC001507249461 894020820 /nfs/dbraw/zinc/02/08/20/894020820.db2.gz USFCFRJRGCQFOJ-JTQLQIEISA-N 1 0 296.327 -1.034 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cn(CC=C)nn1 ZINC001507246735 894021765 /nfs/dbraw/zinc/02/17/65/894021765.db2.gz RCVVBNASYSBGFV-JTQLQIEISA-N 1 0 263.301 -1.222 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001507250714 894021638 /nfs/dbraw/zinc/02/16/38/894021638.db2.gz YFAJYYLFVZLNGL-GFCCVEGCSA-N 1 0 292.339 -1.440 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCCS(C)(=O)=O ZINC001507244443 894022392 /nfs/dbraw/zinc/02/23/92/894022392.db2.gz PPZCAEMYBSGAOM-JTQLQIEISA-N 1 0 276.358 -1.489 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001507243951 894023139 /nfs/dbraw/zinc/02/31/39/894023139.db2.gz NRXMXFXGSWSUJT-VHSXEESVSA-N 1 0 253.302 -1.645 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1nonc1C ZINC001507248885 894024663 /nfs/dbraw/zinc/02/46/63/894024663.db2.gz QYBVDFYJVPUBNG-LLVKDONJSA-N 1 0 296.327 -1.363 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001507260170 894025585 /nfs/dbraw/zinc/02/55/85/894025585.db2.gz JSCKKXUFRCQPRG-NSHDSACASA-N 1 0 280.328 -1.250 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001507260585 894025652 /nfs/dbraw/zinc/02/56/52/894025652.db2.gz OVFNYKAGHVTZLY-SECBINFHSA-N 1 0 284.316 -1.819 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001507261059 894026529 /nfs/dbraw/zinc/02/65/29/894026529.db2.gz OCGHPIMLGHWOPN-VHSXEESVSA-N 1 0 289.357 -2.232 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001507252840 894026658 /nfs/dbraw/zinc/02/66/58/894026658.db2.gz RCANVGPSDMOFFA-UWVGGRQHSA-N 1 0 255.318 -1.092 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001507259830 894026708 /nfs/dbraw/zinc/02/67/08/894026708.db2.gz KCJGRORSUYQTDV-JTQLQIEISA-N 1 0 283.328 -1.222 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001507258212 894028065 /nfs/dbraw/zinc/02/80/65/894028065.db2.gz TWEKFOHRGPRHAM-JTQLQIEISA-N 1 0 278.312 -1.516 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001507260502 894029901 /nfs/dbraw/zinc/02/99/01/894029901.db2.gz NKXOTEXOLFPDDR-NXEZZACHSA-N 1 0 296.327 -1.935 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001507252858 894030426 /nfs/dbraw/zinc/03/04/26/894030426.db2.gz RCANVGPSDMOFFA-ZJUUUORDSA-N 1 0 255.318 -1.092 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001507266046 894033240 /nfs/dbraw/zinc/03/32/40/894033240.db2.gz WZBCTJAKSORGDJ-VXGBXAGGSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001507276151 894034591 /nfs/dbraw/zinc/03/45/91/894034591.db2.gz ZJTAYLRQPGEOQG-VHSXEESVSA-N 1 0 298.343 -1.037 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001507266044 894034688 /nfs/dbraw/zinc/03/46/88/894034688.db2.gz WZBCTJAKSORGDJ-NWDGAFQWSA-N 1 0 291.355 -1.070 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001507263764 894035133 /nfs/dbraw/zinc/03/51/33/894035133.db2.gz CRNLNBXTOBFMPS-VIFPVBQESA-N 1 0 294.315 -2.533 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001507261978 894035631 /nfs/dbraw/zinc/03/56/31/894035631.db2.gz JCKRREMPTBTIMI-SNVBAGLBSA-N 1 0 281.316 -2.410 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001507307339 894038261 /nfs/dbraw/zinc/03/82/61/894038261.db2.gz TUEUQGBPMKTZAL-NXEZZACHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507289911 894038797 /nfs/dbraw/zinc/03/87/97/894038797.db2.gz LLEOGZRLTFFYET-RKDXNWHRSA-N 1 0 268.317 -1.647 20 30 CAEDRO COCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001507300048 894039022 /nfs/dbraw/zinc/03/90/22/894039022.db2.gz KAISUKUBJZYJDS-ZJUUUORDSA-N 1 0 268.317 -1.148 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507289907 894040003 /nfs/dbraw/zinc/04/00/03/894040003.db2.gz LLEOGZRLTFFYET-BDAKNGLRSA-N 1 0 268.317 -1.647 20 30 CAEDRO COCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001507300042 894040767 /nfs/dbraw/zinc/04/07/67/894040767.db2.gz KAISUKUBJZYJDS-UWVGGRQHSA-N 1 0 268.317 -1.148 20 30 CAEDRO COCC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001507458105 894042305 /nfs/dbraw/zinc/04/23/05/894042305.db2.gz PLPNFUBXQRVIPN-VIFPVBQESA-N 1 0 272.305 -2.319 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001507461939 894042561 /nfs/dbraw/zinc/04/25/61/894042561.db2.gz SXGJLEILVDRMSU-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001507443026 894045183 /nfs/dbraw/zinc/04/51/83/894045183.db2.gz LRLUSHOVIRIHBP-VHSXEESVSA-N 1 0 294.355 -1.564 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001507464654 894046769 /nfs/dbraw/zinc/04/67/69/894046769.db2.gz ANDYBWVJFJOFTJ-CYBMUJFWSA-N 1 0 299.371 -1.477 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001507472576 894048197 /nfs/dbraw/zinc/04/81/97/894048197.db2.gz WZYLWECCXSHHRD-MNOVXSKESA-N 1 0 297.359 -1.420 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001507470003 894049054 /nfs/dbraw/zinc/04/90/54/894049054.db2.gz INTLRLXLXKINOU-SNVBAGLBSA-N 1 0 265.317 -1.221 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001507472414 894049814 /nfs/dbraw/zinc/04/98/14/894049814.db2.gz ZORNZQIGJKYFBC-STQMWFEESA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001507468667 894050244 /nfs/dbraw/zinc/05/02/44/894050244.db2.gz ZQIHUYOJEYNOOW-QWRGUYRKSA-N 1 0 285.344 -1.820 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001507470000 894050670 /nfs/dbraw/zinc/05/06/70/894050670.db2.gz INTLRLXLXKINOU-JTQLQIEISA-N 1 0 265.317 -1.221 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001507468666 894051151 /nfs/dbraw/zinc/05/11/51/894051151.db2.gz ZQIHUYOJEYNOOW-MNOVXSKESA-N 1 0 285.344 -1.820 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001507472412 894051437 /nfs/dbraw/zinc/05/14/37/894051437.db2.gz ZORNZQIGJKYFBC-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001507485136 894054249 /nfs/dbraw/zinc/05/42/49/894054249.db2.gz QUACDOZFJYTXJR-LBPRGKRZSA-N 1 0 297.355 -1.723 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001507483732 894054383 /nfs/dbraw/zinc/05/43/83/894054383.db2.gz PLMFLNDVXAMQSO-VIFPVBQESA-N 1 0 258.322 -1.490 20 30 CAEDRO C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC ZINC001507475748 894054653 /nfs/dbraw/zinc/05/46/53/894054653.db2.gz RERLLLWODZQQTO-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001507477245 894054709 /nfs/dbraw/zinc/05/47/09/894054709.db2.gz MLDQZBPYZNLGOD-CYBMUJFWSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001507484259 894054899 /nfs/dbraw/zinc/05/48/99/894054899.db2.gz ZGRTYYCADAGPIX-RYUDHWBXSA-N 1 0 281.356 -1.103 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001507483731 894054992 /nfs/dbraw/zinc/05/49/92/894054992.db2.gz PLMFLNDVXAMQSO-SECBINFHSA-N 1 0 258.322 -1.490 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001507477246 894055156 /nfs/dbraw/zinc/05/51/56/894055156.db2.gz MLDQZBPYZNLGOD-ZDUSSCGKSA-N 1 0 281.356 -1.103 20 30 CAEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001507475578 894055721 /nfs/dbraw/zinc/05/57/21/894055721.db2.gz ZFIIBNGZEZFUKC-LDYMZIIASA-N 1 0 293.327 -1.217 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001507496182 894056903 /nfs/dbraw/zinc/05/69/03/894056903.db2.gz QSSXLHUJLDCYQX-GFCCVEGCSA-N 1 0 296.371 -2.150 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001507490383 894058170 /nfs/dbraw/zinc/05/81/70/894058170.db2.gz SZGXPGPTTOOIKQ-LLVKDONJSA-N 1 0 284.360 -1.003 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)COCc1nccn1C ZINC001507485638 894058447 /nfs/dbraw/zinc/05/84/47/894058447.db2.gz BZDHBUCJSGHTHC-LBPRGKRZSA-N 1 0 294.355 -1.021 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001507502125 894061075 /nfs/dbraw/zinc/06/10/75/894061075.db2.gz GPPOWGGJXIBGAZ-MRVPVSSYSA-N 1 0 270.289 -3.370 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C(=O)NC)CC1 ZINC001507509219 894061589 /nfs/dbraw/zinc/06/15/89/894061589.db2.gz RCVOZEFHACLUQN-LLVKDONJSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001507509441 894061794 /nfs/dbraw/zinc/06/17/94/894061794.db2.gz VUMKATUHMBIMFJ-GVXVVHGQSA-N 1 0 299.371 -1.138 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001507500190 894062414 /nfs/dbraw/zinc/06/24/14/894062414.db2.gz WZSXPEIYWYUCFQ-QWRGUYRKSA-N 1 0 267.329 -1.493 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001507500180 894063597 /nfs/dbraw/zinc/06/35/97/894063597.db2.gz WZSXPEIYWYUCFQ-GHMZBOCLSA-N 1 0 267.329 -1.493 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001507508446 894064020 /nfs/dbraw/zinc/06/40/20/894064020.db2.gz ZSNVKPXNAIMKCV-ZJUUUORDSA-N 1 0 298.343 -1.431 20 30 CAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001507509442 894064574 /nfs/dbraw/zinc/06/45/74/894064574.db2.gz VUMKATUHMBIMFJ-MDZLAQPJSA-N 1 0 299.371 -1.138 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001507578049 894065292 /nfs/dbraw/zinc/06/52/92/894065292.db2.gz UONHLINZBRNTQG-LBPRGKRZSA-N 1 0 279.344 -1.210 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507585692 894065375 /nfs/dbraw/zinc/06/53/75/894065375.db2.gz HBEWQTJNFOGSKK-JTQLQIEISA-N 1 0 266.305 -1.943 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001507597183 894066718 /nfs/dbraw/zinc/06/67/18/894066718.db2.gz LIGRNKVGFNBMCB-JTQLQIEISA-N 1 0 271.317 -1.273 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001507561532 894067872 /nfs/dbraw/zinc/06/78/72/894067872.db2.gz GXVNMWLRUKJKFM-UWVGGRQHSA-N 1 0 291.373 -1.727 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CS(=O)(=O)CC ZINC001507569444 894067953 /nfs/dbraw/zinc/06/79/53/894067953.db2.gz UWOQXOFWECHEQQ-SNVBAGLBSA-N 1 0 276.358 -1.537 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001507561534 894068060 /nfs/dbraw/zinc/06/80/60/894068060.db2.gz GXVNMWLRUKJKFM-ZJUUUORDSA-N 1 0 291.373 -1.727 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001507568223 894068645 /nfs/dbraw/zinc/06/86/45/894068645.db2.gz OXARVCZXEATEEI-LLVKDONJSA-N 1 0 290.323 -1.164 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507585375 894069993 /nfs/dbraw/zinc/06/99/93/894069993.db2.gz FGFGYDXMRZUUSD-LLVKDONJSA-N 1 0 280.332 -1.553 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001507683325 894071266 /nfs/dbraw/zinc/07/12/66/894071266.db2.gz CMCLZJDZOROEKM-MNOVXSKESA-N 1 0 284.360 -1.053 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001507624726 894077453 /nfs/dbraw/zinc/07/74/53/894077453.db2.gz KWYPYEBUSWTSCB-GHMZBOCLSA-N 1 0 283.328 -1.131 20 30 CAEDRO CC(C)(C)[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001508016934 894080458 /nfs/dbraw/zinc/08/04/58/894080458.db2.gz ZUBCDEUTCCQFJX-MRVPVSSYSA-N 1 0 283.332 -1.768 20 30 CAEDRO C#CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CCOC ZINC001508053239 894080953 /nfs/dbraw/zinc/08/09/53/894080953.db2.gz OZFBSJLWLAQDCP-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001507726367 894082965 /nfs/dbraw/zinc/08/29/65/894082965.db2.gz FJNNSOLIGLPHAQ-SNVBAGLBSA-N 1 0 293.389 -1.527 20 30 CAEDRO C#CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CCOC ZINC001508053238 894083533 /nfs/dbraw/zinc/08/35/33/894083533.db2.gz OZFBSJLWLAQDCP-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO COCC#CC[N@H+]1CC=C(CNC(=O)C(N)=O)CC1 ZINC001508222450 894086250 /nfs/dbraw/zinc/08/62/50/894086250.db2.gz WOAYIUBRYBSXMU-UHFFFAOYSA-N 1 0 265.313 -1.130 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001508183251 894087770 /nfs/dbraw/zinc/08/77/70/894087770.db2.gz IQIZSCBIOIBQJD-NSHDSACASA-N 1 0 282.344 -1.292 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)CN1CCOCC1=O ZINC001508177511 894087900 /nfs/dbraw/zinc/08/79/00/894087900.db2.gz FWINXIKABHTRGU-UHFFFAOYSA-N 1 0 297.355 -1.457 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001511091325 894145470 /nfs/dbraw/zinc/14/54/70/894145470.db2.gz NLALYOMDSMBXNC-GHMZBOCLSA-N 1 0 294.355 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001513666186 894181157 /nfs/dbraw/zinc/18/11/57/894181157.db2.gz NBRBBXWHLCTMKN-MXWKQRLJSA-N 1 0 282.344 -1.214 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001514680008 894183130 /nfs/dbraw/zinc/18/31/30/894183130.db2.gz HGQOQQVGRCAVJQ-NXEZZACHSA-N 1 0 282.296 -1.370 20 30 CAEDRO C#CCNC(=O)CN1CCN(c2nccnc2C[NH3+])CC1 ZINC001515444509 894185634 /nfs/dbraw/zinc/18/56/34/894185634.db2.gz NQHZNZNUMZYLCP-UHFFFAOYSA-N 1 0 288.355 -1.193 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1C(=O)CCC1=O ZINC001520373990 894194751 /nfs/dbraw/zinc/19/47/51/894194751.db2.gz RDLWKWPGPPMZBP-UHFFFAOYSA-N 1 0 251.286 -1.183 20 30 CAEDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC(=O)NCC#N ZINC001520169472 894195062 /nfs/dbraw/zinc/19/50/62/894195062.db2.gz PZWKFGSPXZEAPQ-VHSXEESVSA-N 1 0 265.317 -1.869 20 30 CAEDRO COC(=O)CN(CC#N)C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521034668 894197646 /nfs/dbraw/zinc/19/76/46/894197646.db2.gz XQOSWUAAZBRQJF-WDEREUQCSA-N 1 0 280.328 -1.100 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001520670865 894198709 /nfs/dbraw/zinc/19/87/09/894198709.db2.gz FPRRTGHWBCMLIR-SNVBAGLBSA-N 1 0 267.329 -1.186 20 30 CAEDRO COC(=O)CN(CC#N)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001521034666 894198748 /nfs/dbraw/zinc/19/87/48/894198748.db2.gz XQOSWUAAZBRQJF-QWRGUYRKSA-N 1 0 280.328 -1.100 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCCNS(=O)(=O)CC ZINC001521297507 894201900 /nfs/dbraw/zinc/20/19/00/894201900.db2.gz IDPBIWAQMOQFFR-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001521308361 894202357 /nfs/dbraw/zinc/20/23/57/894202357.db2.gz LPKSFIWYJPVEOH-QWRGUYRKSA-N 1 0 266.345 -1.207 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC001521495923 894208930 /nfs/dbraw/zinc/20/89/30/894208930.db2.gz MEVRQBRDDAJKFK-UHFFFAOYSA-N 1 0 266.345 -1.383 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCCc1nnc2n1CCNC2=O ZINC001521964047 894213659 /nfs/dbraw/zinc/21/36/59/894213659.db2.gz HBRQNNPNOZVRKT-UHFFFAOYSA-N 1 0 292.343 -1.202 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001524062757 894274668 /nfs/dbraw/zinc/27/46/68/894274668.db2.gz WJMDEBCKRHWJFI-ZANVPECISA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CCN1CCN(c2nnc(-c3nc(N)n[nH]3)n2C)CC1 ZINC001525505913 894289801 /nfs/dbraw/zinc/28/98/01/894289801.db2.gz WQNAZEBTWIMDHY-UHFFFAOYSA-N 1 0 287.331 -1.062 20 30 CAEDRO C[C@@H](CNC(=O)NCC#CCO)N1CC[NH+](C)CC1 ZINC001527775232 894313674 /nfs/dbraw/zinc/31/36/74/894313674.db2.gz OHYIJNRRDMWJAC-LBPRGKRZSA-N 1 0 268.361 -1.083 20 30 CAEDRO C#CCNC(=O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548636158 894489714 /nfs/dbraw/zinc/48/97/14/894489714.db2.gz SLQOTYITBSDSFD-QWRGUYRKSA-N 1 0 264.329 -1.760 20 30 CAEDRO C#CCNC(=O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548636157 894490627 /nfs/dbraw/zinc/49/06/27/894490627.db2.gz SLQOTYITBSDSFD-MNOVXSKESA-N 1 0 264.329 -1.760 20 30 CAEDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCn1cnc(C#N)n1 ZINC001548702791 894499895 /nfs/dbraw/zinc/49/98/95/894499895.db2.gz GQBYYJPRBFIDEE-WDEREUQCSA-N 1 0 289.343 -1.346 20 30 CAEDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCn1cnc(C#N)n1 ZINC001548702789 894499942 /nfs/dbraw/zinc/49/99/42/894499942.db2.gz GQBYYJPRBFIDEE-QWRGUYRKSA-N 1 0 289.343 -1.346 20 30 CAEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC(=O)NCC#N)C1 ZINC001556512494 894579142 /nfs/dbraw/zinc/57/91/42/894579142.db2.gz HJCDZYGRBNYDEE-GFCCVEGCSA-N 1 0 268.317 -1.411 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001557689358 894601914 /nfs/dbraw/zinc/60/19/14/894601914.db2.gz IDVUSACJNDKCFU-IUCAKERBSA-N 1 0 268.317 -1.851 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001557692298 894604563 /nfs/dbraw/zinc/60/45/63/894604563.db2.gz SQTQSECYSGYESN-AOOOYVTPSA-N 1 0 282.344 -1.461 20 30 CAEDRO C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@H](C(=O)[O-])C1 ZINC001604231612 972737498 /nfs/dbraw/zinc/73/74/98/972737498.db2.gz XTFJWQBPMZAFKL-VXGBXAGGSA-N 1 0 295.387 -1.032 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001191755102 781922031 /nfs/dbraw/zinc/92/20/31/781922031.db2.gz GYPQKQLOBRCNKI-GHMZBOCLSA-N 1 0 258.318 -1.267 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCOC)C1 ZINC001191917139 781924374 /nfs/dbraw/zinc/92/43/74/781924374.db2.gz UNUJFXVCCRAZAX-VXGBXAGGSA-N 1 0 270.329 -1.166 20 30 CAEDRO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191986698 781924804 /nfs/dbraw/zinc/92/48/04/781924804.db2.gz FAIXAEZOEFTFJR-NXEZZACHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978600 781930842 /nfs/dbraw/zinc/93/08/42/781930842.db2.gz LSKAMVYEVGFYFT-NXEZZACHSA-N 1 0 271.317 -1.774 20 30 CAEDRO COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192036913 781931259 /nfs/dbraw/zinc/93/12/59/781931259.db2.gz CLFBYGUXXLPEJW-NWDGAFQWSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192073715 781931310 /nfs/dbraw/zinc/93/13/10/781931310.db2.gz VPFJBQPUBFUCDH-SECBINFHSA-N 1 0 266.301 -2.246 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192036912 781932693 /nfs/dbraw/zinc/93/26/93/781932693.db2.gz CLFBYGUXXLPEJW-NEPJUHHUSA-N 1 0 294.355 -1.150 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102886 781937920 /nfs/dbraw/zinc/93/79/20/781937920.db2.gz VSGAXQXLXLPJFD-SNVBAGLBSA-N 1 0 253.302 -1.346 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192444218 781943577 /nfs/dbraw/zinc/94/35/77/781943577.db2.gz JRTGTTFGRHOSRZ-IVZWLZJFSA-N 1 0 270.333 -1.219 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC=C)C[C@H]1O ZINC001192396931 781943789 /nfs/dbraw/zinc/94/37/89/781943789.db2.gz SKAFPWHQKRESQK-VXGBXAGGSA-N 1 0 279.340 -1.137 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001192396979 781944570 /nfs/dbraw/zinc/94/45/70/781944570.db2.gz SZUCQWQCFMEQJY-QJPTWQEYSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192467605 781945208 /nfs/dbraw/zinc/94/52/08/781945208.db2.gz HRDUZOQUTVMKAQ-IVZWLZJFSA-N 1 0 268.317 -1.772 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@H]1O ZINC001192397324 781945468 /nfs/dbraw/zinc/94/54/68/781945468.db2.gz WSBPDOIJSUZUTL-QJPTWQEYSA-N 1 0 297.355 -1.678 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463539 781947453 /nfs/dbraw/zinc/94/74/53/781947453.db2.gz VPXLHYDLLNPWBJ-GHMZBOCLSA-N 1 0 285.344 -1.514 20 30 CAEDRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192760992 781953514 /nfs/dbraw/zinc/95/35/14/781953514.db2.gz BMUIPNIKNBGJQO-YNEHKIRRSA-N 1 0 284.356 -1.186 20 30 CAEDRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192820840 781956428 /nfs/dbraw/zinc/95/64/28/781956428.db2.gz BVHDZWQRNJRUAB-YUSALJHKSA-N 1 0 252.314 -1.058 20 30 CAEDRO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192826888 781956868 /nfs/dbraw/zinc/95/68/68/781956868.db2.gz LDQVGVIVCIEAHI-VXGBXAGGSA-N 1 0 252.314 -1.057 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001192942727 781958333 /nfs/dbraw/zinc/95/83/33/781958333.db2.gz HHWLSWIRSXZLGE-HBNTYKKESA-N 1 0 282.344 -1.382 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001192885987 781958878 /nfs/dbraw/zinc/95/88/78/781958878.db2.gz JDVNBAIBNMLJOQ-IJLUTSLNSA-N 1 0 270.329 -1.432 20 30 CAEDRO N#CCCN1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000134825516 372793327 /nfs/dbraw/zinc/79/33/27/372793327.db2.gz CLNOGRYCIRIZGI-UHFFFAOYSA-N 1 0 265.361 -1.051 20 30 CAEDRO CC1(C)CN(C(=O)NCC(=O)NCC#N)CC[N@@H+]1CCO ZINC000588746743 372880423 /nfs/dbraw/zinc/88/04/23/372880423.db2.gz BJSSMQAXPNRSLQ-UHFFFAOYSA-N 1 0 297.359 -1.276 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(C)CCOCC[NH3+] ZINC000600734443 372892672 /nfs/dbraw/zinc/89/26/72/372892672.db2.gz PNWWIYFMNYVFTF-UHFFFAOYSA-N 1 0 258.322 -1.095 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C[NH2+]C)CC1 ZINC000037803058 372909219 /nfs/dbraw/zinc/90/92/19/372909219.db2.gz PHMZRDHUUHTKHL-UHFFFAOYSA-N 1 0 254.334 -1.348 20 30 CAEDRO C=CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566510943 372933314 /nfs/dbraw/zinc/93/33/14/372933314.db2.gz FCWHSJBUSHDWTC-WDEREUQCSA-N 1 0 294.355 -1.161 20 30 CAEDRO N#Cc1cnc(N2CCN(CCS(N)(=O)=O)CC2)cn1 ZINC000355529695 372943112 /nfs/dbraw/zinc/94/31/12/372943112.db2.gz KKJJGLLZOYVHMN-UHFFFAOYSA-N 1 0 296.356 -1.241 20 30 CAEDRO Cn1c(N[C@H](CO)C[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000589101807 373015510 /nfs/dbraw/zinc/01/55/10/373015510.db2.gz LTKLGHKBSLYZDW-QMMMGPOBSA-N 1 0 281.316 -1.710 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@H]2COC[C@H]2OC)CC1 ZINC000491295775 373017671 /nfs/dbraw/zinc/01/76/71/373017671.db2.gz IODLQAWIEYNDFT-QWHCGFSZSA-N 1 0 281.356 -1.233 20 30 CAEDRO CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000563011391 373021625 /nfs/dbraw/zinc/02/16/25/373021625.db2.gz MWEUVKACZOWGTB-LLVKDONJSA-N 1 0 292.405 -1.326 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592491938 373074020 /nfs/dbraw/zinc/07/40/20/373074020.db2.gz OOFZRBNENQDTEW-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000592983026 373087514 /nfs/dbraw/zinc/08/75/14/373087514.db2.gz RFYKLEGSKLDBNX-SNVBAGLBSA-N 1 0 275.378 -1.349 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478323 373102279 /nfs/dbraw/zinc/10/22/79/373102279.db2.gz OZOSTPBEMNAFFZ-WDEREUQCSA-N 1 0 288.373 -1.173 20 30 CAEDRO Cn1cc(C#N)c(=O)n(C[C@H]2C[NH2+]CCO2)c1=O ZINC000594698538 373103306 /nfs/dbraw/zinc/10/33/06/373103306.db2.gz KWDPCNOIJLUBAV-SECBINFHSA-N 1 0 250.258 -1.593 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000592446745 373072317 /nfs/dbraw/zinc/07/23/17/373072317.db2.gz UCXZXESTDCKLJF-JTQLQIEISA-N 1 0 254.334 -1.000 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000592365904 373072766 /nfs/dbraw/zinc/07/27/66/373072766.db2.gz GZVXNLLMMJYIIM-UHFFFAOYSA-N 1 0 289.361 -1.902 20 30 CAEDRO C[NH2+]CCOCCNS(=O)(=O)N(C)CCC#N ZINC000599106637 373169489 /nfs/dbraw/zinc/16/94/89/373169489.db2.gz FHCIZWBFNBICHA-UHFFFAOYSA-N 1 0 264.351 -1.098 20 30 CAEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC000595864324 373119441 /nfs/dbraw/zinc/11/94/41/373119441.db2.gz XSMHDEZCIQYTBA-DTWKUNHWSA-N 1 0 259.306 -1.016 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000595901668 373122190 /nfs/dbraw/zinc/12/21/90/373122190.db2.gz HJFUBCYOXUQYGU-SECBINFHSA-N 1 0 274.321 -2.388 20 30 CAEDRO C=CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595980795 373129216 /nfs/dbraw/zinc/12/92/16/373129216.db2.gz KVCDNVGCCQUHHR-QWRGUYRKSA-N 1 0 294.355 -1.209 20 30 CAEDRO C=CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595980793 373129364 /nfs/dbraw/zinc/12/93/64/373129364.db2.gz KVCDNVGCCQUHHR-GHMZBOCLSA-N 1 0 294.355 -1.209 20 30 CAEDRO C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[NH2+]1 ZINC000596016666 373129792 /nfs/dbraw/zinc/12/97/92/373129792.db2.gz SWQRHVOOSJIJTB-QMMMGPOBSA-N 1 0 263.301 -1.246 20 30 CAEDRO Cn1c(N2CCC[NH2+]CC2)c(C#N)c(=O)n(C)c1=O ZINC000596016276 373130144 /nfs/dbraw/zinc/13/01/44/373130144.db2.gz OPEDZHMTIBSPIT-UHFFFAOYSA-N 1 0 263.301 -1.245 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595990534 373130558 /nfs/dbraw/zinc/13/05/58/373130558.db2.gz XFQWEAFZGFRJBR-VHSXEESVSA-N 1 0 280.328 -1.599 20 30 CAEDRO C=CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595980796 373130718 /nfs/dbraw/zinc/13/07/18/373130718.db2.gz KVCDNVGCCQUHHR-WDEREUQCSA-N 1 0 294.355 -1.209 20 30 CAEDRO Cn1c(N2CC(C[NH+](C)C)C2)c(C#N)c(=O)n(C)c1=O ZINC000596246416 373131835 /nfs/dbraw/zinc/13/18/35/373131835.db2.gz FAOJHTCSFRGLBA-UHFFFAOYSA-N 1 0 277.328 -1.047 20 30 CAEDRO CN(CCC[NH+](C)C)CCNC(=O)NCC(=O)NCC#N ZINC000596600010 373134331 /nfs/dbraw/zinc/13/43/31/373134331.db2.gz ZRKAHSNAKGTRMB-UHFFFAOYSA-N 1 0 298.391 -1.191 20 30 CAEDRO CN1CN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1=O ZINC000329639377 373142360 /nfs/dbraw/zinc/14/23/60/373142360.db2.gz WOKYJLLVTNJQFW-JTQLQIEISA-N 1 0 269.349 -1.122 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531367 373178431 /nfs/dbraw/zinc/17/84/31/373178431.db2.gz UVPSLFZPSUSGAR-VWYCJHECSA-N 1 0 285.344 -1.081 20 30 CAEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601580977 373188859 /nfs/dbraw/zinc/18/88/59/373188859.db2.gz CGDQANCCZYPKIQ-NWDGAFQWSA-N 1 0 293.371 -1.008 20 30 CAEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601580979 373188947 /nfs/dbraw/zinc/18/89/47/373188947.db2.gz CGDQANCCZYPKIQ-RYUDHWBXSA-N 1 0 293.371 -1.008 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000601585061 373189016 /nfs/dbraw/zinc/18/90/16/373189016.db2.gz WCIAWUZCBLUOQE-UHFFFAOYSA-N 1 0 293.371 -1.134 20 30 CAEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601584943 373189101 /nfs/dbraw/zinc/18/91/01/373189101.db2.gz UDFKJKWXUFZYBK-GFCCVEGCSA-N 1 0 293.371 -1.135 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000601585632 373189284 /nfs/dbraw/zinc/18/92/84/373189284.db2.gz XIPGUJZWYRYOQX-GFCCVEGCSA-N 1 0 293.371 -1.006 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000601581365 373189600 /nfs/dbraw/zinc/18/96/00/373189600.db2.gz HPYWJYOKXSMBHE-LLVKDONJSA-N 1 0 279.344 -1.396 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000601580153 373190187 /nfs/dbraw/zinc/19/01/87/373190187.db2.gz ARZHZMSEOLHWHM-GFCCVEGCSA-N 1 0 293.371 -1.149 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000601580218 373190215 /nfs/dbraw/zinc/19/02/15/373190215.db2.gz CLHSGRFGXVINAQ-UHFFFAOYSA-N 1 0 279.344 -1.524 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000601581660 373190384 /nfs/dbraw/zinc/19/03/84/373190384.db2.gz GDJYEPPKEVCODI-RYUDHWBXSA-N 1 0 291.355 -1.383 20 30 CAEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000601582774 373190409 /nfs/dbraw/zinc/19/04/09/373190409.db2.gz NNGJLFIHRUJRCS-LBPRGKRZSA-N 1 0 293.371 -1.135 20 30 CAEDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000601852232 373192620 /nfs/dbraw/zinc/19/26/20/373192620.db2.gz UCXYZDCCVQUYDJ-JTQLQIEISA-N 1 0 268.317 -1.065 20 30 CAEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336951110 373251712 /nfs/dbraw/zinc/25/17/12/373251712.db2.gz UJDNJXPYDRLNPL-WDEREUQCSA-N 1 0 290.389 -1.021 20 30 CAEDRO CN(CC[NH+](C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337084086 373254157 /nfs/dbraw/zinc/25/41/57/373254157.db2.gz CGYWPCKKOZMVOR-SNVBAGLBSA-N 1 0 276.362 -1.051 20 30 CAEDRO C=CCN1CC[C@H](N(C)c2nc(N)[nH+]c(N)n2)C1=O ZINC000624180859 373261802 /nfs/dbraw/zinc/26/18/02/373261802.db2.gz MXTQNNUWTHJXDX-ZETCQYMHSA-N 1 0 263.305 -1.080 20 30 CAEDRO C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)n1cnc(C#N)n1 ZINC000573978944 373307923 /nfs/dbraw/zinc/30/79/23/373307923.db2.gz DKECUQLNNYVLTC-GUBZILKMSA-N 1 0 278.316 -1.156 20 30 CAEDRO [NH2+]=C(NCCOCCO)N1CCN(c2ncccn2)CC1 ZINC000264094849 373317130 /nfs/dbraw/zinc/31/71/30/373317130.db2.gz LSDCPECFKFQYCD-UHFFFAOYSA-N 1 0 294.359 -1.078 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2OCC[C@H]2[NH3+])CC1 ZINC000638055507 373373319 /nfs/dbraw/zinc/37/33/19/373373319.db2.gz GMDKAXPXPMLWTG-YPMHNXCESA-N 1 0 296.371 -1.451 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000294004780 373502756 /nfs/dbraw/zinc/50/27/56/373502756.db2.gz PEMHQDBPOOFTBV-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000292709683 373503854 /nfs/dbraw/zinc/50/38/54/373503854.db2.gz DZFCHOHYOCXFPQ-SNVBAGLBSA-N 1 0 250.302 -1.165 20 30 CAEDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000344897058 373522032 /nfs/dbraw/zinc/52/20/32/373522032.db2.gz FFUYEVZTHGNXLW-UWVGGRQHSA-N 1 0 276.362 -1.005 20 30 CAEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000348211448 373544693 /nfs/dbraw/zinc/54/46/93/373544693.db2.gz PUJUIJLBERKIQI-CABZTGNLSA-N 1 0 253.302 -1.305 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348212336 373546571 /nfs/dbraw/zinc/54/65/71/373546571.db2.gz SEHGPQCMCSHHPW-PRHODGIISA-N 1 0 284.316 -1.691 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051760408 373559305 /nfs/dbraw/zinc/55/93/05/373559305.db2.gz VHUUTHVSDDIPLZ-UHFFFAOYSA-N 1 0 266.345 -1.558 20 30 CAEDRO C=CCNC(=O)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519601280 373565813 /nfs/dbraw/zinc/56/58/13/373565813.db2.gz OXOVXRAHMXAJJN-JTQLQIEISA-N 1 0 282.344 -1.337 20 30 CAEDRO N#CCNC(=O)CNC(=O)NCCNc1cc[nH+]cc1 ZINC000358281680 373614320 /nfs/dbraw/zinc/61/43/20/373614320.db2.gz VEKIGNGHRWFBRC-UHFFFAOYSA-N 1 0 276.300 -1.146 20 30 CAEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@H](C)C1 ZINC000358275819 373615951 /nfs/dbraw/zinc/61/59/51/373615951.db2.gz NUYFSUUAPQOPDA-MNOVXSKESA-N 1 0 297.359 -1.277 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000358420892 373617684 /nfs/dbraw/zinc/61/76/84/373617684.db2.gz DPQGNMHHHYVNFZ-VIFPVBQESA-N 1 0 262.335 -1.264 20 30 CAEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C(N)=O)cc1 ZINC000228684139 373663234 /nfs/dbraw/zinc/66/32/34/373663234.db2.gz HKWWDLRTGKTZBR-ZYHUDNBSSA-N 1 0 279.296 -1.266 20 30 CAEDRO Cn1c(NCCOCC[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000354079261 373668218 /nfs/dbraw/zinc/66/82/18/373668218.db2.gz FAFDAFZAGJIPNW-UHFFFAOYSA-N 1 0 295.343 -1.054 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]([NH3+])CC)C1=O ZINC000571763609 373675725 /nfs/dbraw/zinc/67/57/25/373675725.db2.gz LNSGNLXSPNSCGF-QMMMGPOBSA-N 1 0 282.300 -1.183 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(CCO)C[C@H](C)O ZINC000336791895 373676656 /nfs/dbraw/zinc/67/66/56/373676656.db2.gz PLPPUHRNZBQNTO-VIFPVBQESA-N 1 0 259.306 -1.327 20 30 CAEDRO C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005080 781961883 /nfs/dbraw/zinc/96/18/83/781961883.db2.gz FMSFIHSTGKZKFS-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCOCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514951495 373724338 /nfs/dbraw/zinc/72/43/38/373724338.db2.gz SCUNXQAPOUFFHR-UWVGGRQHSA-N 1 0 253.302 -1.041 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000515832055 373725735 /nfs/dbraw/zinc/72/57/35/373725735.db2.gz HQUZTQNHAGHALP-QWRGUYRKSA-N 1 0 282.344 -1.070 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH3+])C2)C1=O ZINC000428382830 373730547 /nfs/dbraw/zinc/73/05/47/373730547.db2.gz SKCKALFNWADXRW-MRVPVSSYSA-N 1 0 280.284 -1.477 20 30 CAEDRO C=C[C@@H](O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628584992 373735194 /nfs/dbraw/zinc/73/51/94/373735194.db2.gz CLRWTEZAVUKNME-VHSXEESVSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCNC(=O)CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631930036 373823561 /nfs/dbraw/zinc/82/35/61/373823561.db2.gz VJSFWTIKZZSVBG-UHFFFAOYSA-N 1 0 290.389 -1.193 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627248368 373885799 /nfs/dbraw/zinc/88/57/99/373885799.db2.gz CGJFZZNAARKIOL-GFCCVEGCSA-N 1 0 295.387 -1.022 20 30 CAEDRO C=CCNC(=O)CNC(=O)NCCOCC[NH2+]C ZINC000627174655 373845710 /nfs/dbraw/zinc/84/57/10/373845710.db2.gz NKEGLOQXVOHDEG-UHFFFAOYSA-N 1 0 258.322 -1.176 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001193156388 781963602 /nfs/dbraw/zinc/96/36/02/781963602.db2.gz DHEFCZPLGAPSIF-QJPTWQEYSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566689611 373949952 /nfs/dbraw/zinc/94/99/52/373949952.db2.gz AYUMWFUWEPPKIG-UWVGGRQHSA-N 1 0 295.343 -1.758 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566689612 373950938 /nfs/dbraw/zinc/95/09/38/373950938.db2.gz AYUMWFUWEPPKIG-VHSXEESVSA-N 1 0 295.343 -1.758 20 30 CAEDRO COCC[N@H+](C)C[C@H](O)CN1CC(O)(CC#N)C1 ZINC000567179442 373953403 /nfs/dbraw/zinc/95/34/03/373953403.db2.gz FNBQBQKDYZBCMI-NSHDSACASA-N 1 0 257.334 -1.114 20 30 CAEDRO C=CCn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC000630589270 373914948 /nfs/dbraw/zinc/91/49/48/373914948.db2.gz WWAYUAQCWRAHKX-UHFFFAOYSA-N 1 0 264.333 -1.015 20 30 CAEDRO C=CCNC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000630609038 373917422 /nfs/dbraw/zinc/91/74/22/373917422.db2.gz KXMJAEBJRFOHHH-UHFFFAOYSA-N 1 0 264.333 -1.015 20 30 CAEDRO C=CCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579006235 373997908 /nfs/dbraw/zinc/99/79/08/373997908.db2.gz MVFHXFLZDWUYCM-UWVGGRQHSA-N 1 0 252.318 -1.468 20 30 CAEDRO C=CCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579006232 373998136 /nfs/dbraw/zinc/99/81/36/373998136.db2.gz MVFHXFLZDWUYCM-NXEZZACHSA-N 1 0 252.318 -1.468 20 30 CAEDRO CNC(=O)NC(=O)CCN1CCN(C(=O)CC#N)CC1 ZINC000578079895 373991652 /nfs/dbraw/zinc/99/16/52/373991652.db2.gz GEBBJJMVFBCRPR-UHFFFAOYSA-N 1 0 281.316 -1.110 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCN(c2ncccn2)CC1 ZINC000073446351 374039441 /nfs/dbraw/zinc/03/94/41/374039441.db2.gz RLHCSGDGYASSSU-UHFFFAOYSA-N 1 0 291.359 -1.080 20 30 CAEDRO Cn1c(N2C[C@@H]3C[C@H]2C[NH2+]3)c(C#N)c(=O)n(C)c1=O ZINC000600887753 374059388 /nfs/dbraw/zinc/05/93/88/374059388.db2.gz TUZMFBZCPOWJJN-YUMQZZPRSA-N 1 0 261.285 -1.494 20 30 CAEDRO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627472102 374128273 /nfs/dbraw/zinc/12/82/73/374128273.db2.gz HJJKNYUEVJLMBR-NSHDSACASA-N 1 0 285.344 -1.248 20 30 CAEDRO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627472101 374128454 /nfs/dbraw/zinc/12/84/54/374128454.db2.gz HJJKNYUEVJLMBR-LLVKDONJSA-N 1 0 285.344 -1.248 20 30 CAEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C(N)=O ZINC000228704989 374143278 /nfs/dbraw/zinc/14/32/78/374143278.db2.gz XQIQVYHEMKTKEK-MNOVXSKESA-N 1 0 279.296 -1.266 20 30 CAEDRO C=CCNC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574705358 335041749 /nfs/dbraw/zinc/04/17/49/335041749.db2.gz YCGKQTHDDSEAHZ-HBNTYKKESA-N 1 0 266.345 -1.079 20 30 CAEDRO C=CCNC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574705356 335041802 /nfs/dbraw/zinc/04/18/02/335041802.db2.gz YCGKQTHDDSEAHZ-DCAQKATOSA-N 1 0 266.345 -1.079 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001193488850 781969064 /nfs/dbraw/zinc/96/90/64/781969064.db2.gz PJSWKFIEONKULD-VXGBXAGGSA-N 1 0 279.340 -1.351 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193472422 781969086 /nfs/dbraw/zinc/96/90/86/781969086.db2.gz CWJQOHCGWYETOP-GHMZBOCLSA-N 1 0 283.328 -2.114 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193483007 781969445 /nfs/dbraw/zinc/96/94/45/781969445.db2.gz QPHBGHPYISDWSP-VXGBXAGGSA-N 1 0 297.355 -1.724 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193455316 781969488 /nfs/dbraw/zinc/96/94/88/781969488.db2.gz ADASZYZIENRIMI-NXEZZACHSA-N 1 0 289.357 -2.280 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193456212 781969882 /nfs/dbraw/zinc/96/98/82/781969882.db2.gz NVSOVCNDHVUOJT-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193456696 781969925 /nfs/dbraw/zinc/96/99/25/781969925.db2.gz XCQOJSVRTRUYOG-GHMZBOCLSA-N 1 0 283.328 -2.066 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193536092 781971184 /nfs/dbraw/zinc/97/11/84/781971184.db2.gz TYPYZZVDRBGGKT-NXEZZACHSA-N 1 0 268.317 -1.900 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193507042 781971741 /nfs/dbraw/zinc/97/17/41/781971741.db2.gz TYGDQWIXKYWGOR-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO COCC[N@H+](C)C[C@@H](O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000515869591 252254983 /nfs/dbraw/zinc/25/49/83/252254983.db2.gz IFOHLXPUGRRINU-LLVKDONJSA-N 1 0 296.327 -1.642 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887645 260007688 /nfs/dbraw/zinc/00/76/88/260007688.db2.gz KBHHPMIOGYUBKU-UWVGGRQHSA-N 1 0 273.358 -1.252 20 30 CAEDRO C#CCNC(=O)CC[NH+]1CCC(O)(C(N)=O)CC1 ZINC001194292383 781988883 /nfs/dbraw/zinc/98/88/83/781988883.db2.gz WFDUBCQBFMVUNS-UHFFFAOYSA-N 1 0 253.302 -1.562 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001195270155 782003188 /nfs/dbraw/zinc/00/31/88/782003188.db2.gz BBXVPXANOZYMHA-QJPTWQEYSA-N 1 0 297.355 -1.514 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)c1 ZINC001152209173 782006778 /nfs/dbraw/zinc/00/67/78/782006778.db2.gz ZBADSAHNIXSRJP-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)[NH3+])C1=O ZINC000648129305 409320398 /nfs/dbraw/zinc/32/03/98/409320398.db2.gz RSLHIIPJKJKDQV-ZETCQYMHSA-N 1 0 268.273 -1.573 20 30 CAEDRO C=CCN1CC[C@H](N(CC[NH3+])C[C@H](O)CO)C1=O ZINC000662289371 409324092 /nfs/dbraw/zinc/32/40/92/409324092.db2.gz ZVBABXZRYJNGFO-QWRGUYRKSA-N 1 0 257.334 -1.613 20 30 CAEDRO Cn1c(N2CC[N@@H+]3CC[C@H]2C3)c(C#N)c(=O)n(C)c1=O ZINC000599083106 409328026 /nfs/dbraw/zinc/32/80/26/409328026.db2.gz HRIOIMUYUZSYRT-VIFPVBQESA-N 1 0 275.312 -1.150 20 30 CAEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000491474606 409368825 /nfs/dbraw/zinc/36/88/25/409368825.db2.gz OFDLKSPLXMGXCG-UWVGGRQHSA-N 1 0 263.297 -1.056 20 30 CAEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000491474608 409370011 /nfs/dbraw/zinc/37/00/11/409370011.db2.gz OFDLKSPLXMGXCG-ZJUUUORDSA-N 1 0 263.297 -1.056 20 30 CAEDRO C=CCNC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000393747611 409370484 /nfs/dbraw/zinc/37/04/84/409370484.db2.gz OBDQFEVGEVVBKX-NSHDSACASA-N 1 0 270.333 -1.496 20 30 CAEDRO C=CCn1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)nn1 ZINC000647690525 409384761 /nfs/dbraw/zinc/38/47/61/409384761.db2.gz PSDSCQJRJKIOMZ-UHFFFAOYSA-N 1 0 278.316 -1.374 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652398880 409397555 /nfs/dbraw/zinc/39/75/55/409397555.db2.gz DMBILHYOXJCCET-UHFFFAOYSA-N 1 0 296.371 -1.137 20 30 CAEDRO Cn1c(N2CC([NH+](C)C)C2)c(C#N)c(=O)n(C)c1=O ZINC000270865136 409347398 /nfs/dbraw/zinc/34/73/98/409347398.db2.gz MPGCYQHIJRRUTA-UHFFFAOYSA-N 1 0 263.301 -1.294 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH2+]C2CC2)C1=O ZINC000644083328 409350866 /nfs/dbraw/zinc/35/08/66/409350866.db2.gz BGFXYVRFYSTMRH-UHFFFAOYSA-N 1 0 294.311 -1.169 20 30 CAEDRO C=C[C@H](CO)[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O ZINC000662165649 409405465 /nfs/dbraw/zinc/40/54/65/409405465.db2.gz KMNDEAZGFZFZJF-SNVBAGLBSA-N 1 0 293.389 -1.479 20 30 CAEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)NC[C@H]1CCCO1 ZINC000263139454 409411265 /nfs/dbraw/zinc/41/12/65/409411265.db2.gz UYHHIKFEPQDWOM-SECBINFHSA-N 1 0 283.332 -1.118 20 30 CAEDRO C#CCNC(NCCN1CCN(C(C)=O)CC1)=[NH+]C ZINC000262617500 409411708 /nfs/dbraw/zinc/41/17/08/409411708.db2.gz MOWQGDYHPMLHBN-UHFFFAOYSA-N 1 0 265.361 -1.051 20 30 CAEDRO C#CCNC(NCCN1CCCS1(=O)=O)=[NH+]C ZINC000262637108 409411894 /nfs/dbraw/zinc/41/18/94/409411894.db2.gz NPGYHFDUIQZILB-UHFFFAOYSA-N 1 0 258.347 -1.180 20 30 CAEDRO COC(=O)c1cn(CCNC(=[NH2+])N2CCOCC2)nn1 ZINC000261744275 409412447 /nfs/dbraw/zinc/41/24/47/409412447.db2.gz IZJQQUYAYUDXAK-UHFFFAOYSA-N 1 0 282.304 -1.288 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCC[C@H](CC(N)=O)C1 ZINC000261841882 409413084 /nfs/dbraw/zinc/41/30/84/409413084.db2.gz WSNCNZQJSDHVPV-SECBINFHSA-N 1 0 269.349 -1.105 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCS(N)(=O)=O ZINC000330442941 409423899 /nfs/dbraw/zinc/42/38/99/409423899.db2.gz PWRDIYKOUVYOOQ-MRVPVSSYSA-N 1 0 264.351 -1.127 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000293048235 409427337 /nfs/dbraw/zinc/42/73/37/409427337.db2.gz KHECNDSUESQHFU-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000293638559 409427991 /nfs/dbraw/zinc/42/79/91/409427991.db2.gz XKNULGGSWKVZLP-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO CN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1COC[C@H]1O ZINC000329456576 409448234 /nfs/dbraw/zinc/44/82/34/409448234.db2.gz QHQHNEVAHGMLNP-IJLUTSLNSA-N 1 0 286.376 -1.162 20 30 CAEDRO CN1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000329639379 409449623 /nfs/dbraw/zinc/44/96/23/409449623.db2.gz WOKYJLLVTNJQFW-SNVBAGLBSA-N 1 0 269.349 -1.122 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286357897 409476350 /nfs/dbraw/zinc/47/63/50/409476350.db2.gz XZQFLDWAKJMPGJ-CABZTGNLSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCOCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659506415 409558668 /nfs/dbraw/zinc/55/86/68/409558668.db2.gz AGRHVSXDRYFQPW-UHFFFAOYSA-N 1 0 270.333 -1.080 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000659709930 409565935 /nfs/dbraw/zinc/56/59/35/409565935.db2.gz KASFYTKOKUEATA-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[NH3+])cc1 ZINC000516571101 409530267 /nfs/dbraw/zinc/53/02/67/409530267.db2.gz OHWFTTSWGZXHJK-UHFFFAOYSA-N 1 0 282.325 -1.089 20 30 CAEDRO Cn1c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C#N)c(=O)n(C)c1=O ZINC000278802855 409538215 /nfs/dbraw/zinc/53/82/15/409538215.db2.gz RHMKANXQSZMSNV-AOOOYVTPSA-N 1 0 289.339 -1.047 20 30 CAEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1=O ZINC000659755301 409571622 /nfs/dbraw/zinc/57/16/22/409571622.db2.gz XTZQOYKJXSSVKQ-WDEREUQCSA-N 1 0 296.371 -1.044 20 30 CAEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)C1=O ZINC000659755297 409572197 /nfs/dbraw/zinc/57/21/97/409572197.db2.gz XTZQOYKJXSSVKQ-MNOVXSKESA-N 1 0 296.371 -1.044 20 30 CAEDRO C=C[C@H](CO)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000662168182 409584724 /nfs/dbraw/zinc/58/47/24/409584724.db2.gz WSJPCLDVTRJAQE-SECBINFHSA-N 1 0 293.327 -1.430 20 30 CAEDRO C=CCCn1cc(CN(CC[NH3+])C[C@H](O)CO)nn1 ZINC000662287466 409590484 /nfs/dbraw/zinc/59/04/84/409590484.db2.gz AKFNSGNEUHFTFL-LBPRGKRZSA-N 1 0 269.349 -1.032 20 30 CAEDRO C[NH+](C)CCn1ccc(NC(=O)NCC#CCO)n1 ZINC000639722158 409646162 /nfs/dbraw/zinc/64/61/62/409646162.db2.gz HDIXRFRBGQTOQP-UHFFFAOYSA-N 1 0 265.317 -0.438 20 30 CAEDRO C[NH+](C)[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H]1O ZINC000582071971 409647346 /nfs/dbraw/zinc/64/73/46/409647346.db2.gz IZZSBQOLEGSNOS-RYUDHWBXSA-N 1 0 289.339 -0.502 20 30 CAEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718353 782014263 /nfs/dbraw/zinc/01/42/63/782014263.db2.gz VEDIUXSCRLNWSB-OPRDCNLKSA-N 1 0 255.318 -1.012 20 30 CAEDRO C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195718301 782014652 /nfs/dbraw/zinc/01/46/52/782014652.db2.gz SPKVWMOVTLYENJ-HBNTYKKESA-N 1 0 282.344 -1.205 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195790561 782016476 /nfs/dbraw/zinc/01/64/76/782016476.db2.gz WDWXNOKWQJIBCJ-NXEZZACHSA-N 1 0 267.329 -1.011 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)CC[NH3+])CC1 ZINC000037803048 173742038 /nfs/dbraw/zinc/74/20/38/173742038.db2.gz MIRMKQSKOPTDOG-UHFFFAOYSA-N 1 0 254.334 -1.218 20 30 CAEDRO Cn1cnn(CC(=O)NCCN2CCOCC2)c1=O ZINC000329119647 227309805 /nfs/dbraw/zinc/30/98/05/227309805.db2.gz PHAUCMIKFFBMAU-UHFFFAOYSA-N 1 0 269.305 -1.130 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001196028676 782025231 /nfs/dbraw/zinc/02/52/31/782025231.db2.gz ASOLNVBMYIUSDX-IJLUTSLNSA-N 1 0 270.329 -1.168 20 30 CAEDRO C=CCN1CC[C@H]([NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1=O ZINC001196094879 782026137 /nfs/dbraw/zinc/02/61/37/782026137.db2.gz SNDGVLVKXIIZGE-GUBZILKMSA-N 1 0 280.328 -1.708 20 30 CAEDRO C#CCNC(=O)CC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001196093999 782027182 /nfs/dbraw/zinc/02/71/82/782027182.db2.gz OLAMUOMAFWIUEM-IUCAKERBSA-N 1 0 266.301 -2.356 20 30 CAEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196185003 782028605 /nfs/dbraw/zinc/02/86/05/782028605.db2.gz MEWLLWTZSBQLTJ-WRWGMCAJSA-N 1 0 295.339 -2.081 20 30 CAEDRO C=CCNC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890706 260007621 /nfs/dbraw/zinc/00/76/21/260007621.db2.gz XBGWBADFIMRWSJ-VIFPVBQESA-N 1 0 261.347 -1.088 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000092495764 260270786 /nfs/dbraw/zinc/27/07/86/260270786.db2.gz LARJAMAZQNPFPA-UHFFFAOYSA-N 1 0 298.387 -1.331 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000490616581 261170364 /nfs/dbraw/zinc/17/03/64/261170364.db2.gz KXJKYKIJYYGGKV-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000490936230 261255232 /nfs/dbraw/zinc/25/52/32/261255232.db2.gz PWUSRFKPGYMFCY-UHFFFAOYSA-N 1 0 292.383 -1.120 20 30 CAEDRO N#Cc1cccnc1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001196564722 782037318 /nfs/dbraw/zinc/03/73/18/782037318.db2.gz VORHQEHRUJFVNM-GARJFASQSA-N 1 0 273.300 -1.914 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCC[NH2+]CCC ZINC000491268441 261395884 /nfs/dbraw/zinc/39/58/84/261395884.db2.gz ZIIXJFCPWRHHPV-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCC[NH2+]CCC ZINC000491268442 261396111 /nfs/dbraw/zinc/39/61/11/261396111.db2.gz ZIIXJFCPWRHHPV-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000491623508 261690024 /nfs/dbraw/zinc/69/00/24/261690024.db2.gz PTKQZGNPEIQUKF-WDEREUQCSA-N 1 0 267.329 -1.054 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)COC2CCOCC2)C1 ZINC001196567310 782037577 /nfs/dbraw/zinc/03/75/77/782037577.db2.gz BIVIPESKBMQWEK-CHWSQXEVSA-N 1 0 282.340 -1.024 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NC1CN(C(=O)OC)C1 ZINC000497023189 262361865 /nfs/dbraw/zinc/36/18/65/262361865.db2.gz RQMBRDUVJIVDGX-UHFFFAOYSA-N 1 0 299.375 -1.066 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(C)=O)CC1 ZINC000263256501 262807563 /nfs/dbraw/zinc/80/75/63/262807563.db2.gz RABBUTVKILTFNI-UHFFFAOYSA-N 1 0 269.349 -1.186 20 30 CAEDRO C=CCNC(=O)CNC(=[NH2+])NCCCN1CCOCC1 ZINC000271926712 263000380 /nfs/dbraw/zinc/00/03/80/263000380.db2.gz GUDHQBNVAOEXRT-UHFFFAOYSA-N 1 0 283.376 -1.085 20 30 CAEDRO C#CCNC(=O)CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000293586043 263143431 /nfs/dbraw/zinc/14/34/31/263143431.db2.gz UDQLTYWQVRVKRY-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO O[C@@H]1CN(CC#CCN2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000342141233 263398521 /nfs/dbraw/zinc/39/85/21/263398521.db2.gz ZVUNBFQAUJIKTK-BKUVIOGVSA-N 1 0 256.302 -2.935 20 30 CAEDRO CNC(=O)NC1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000328705047 263847454 /nfs/dbraw/zinc/84/74/54/263847454.db2.gz PBWWPQMXOFWVQD-LLVKDONJSA-N 1 0 298.391 -1.036 20 30 CAEDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000330951690 264086365 /nfs/dbraw/zinc/08/63/65/264086365.db2.gz PVSUBRFRHGVBEQ-VXGBXAGGSA-N 1 0 286.376 -1.113 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000330924115 264094730 /nfs/dbraw/zinc/09/47/30/264094730.db2.gz TZKFQCZHJOVWNP-NSHDSACASA-N 1 0 273.289 -1.042 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000330924114 264094789 /nfs/dbraw/zinc/09/47/89/264094789.db2.gz TZKFQCZHJOVWNP-LLVKDONJSA-N 1 0 273.289 -1.042 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 ZINC000162198762 264310753 /nfs/dbraw/zinc/31/07/53/264310753.db2.gz GGSXSZDJPDORDD-LBPRGKRZSA-N 1 0 293.371 -1.135 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286357888 264578209 /nfs/dbraw/zinc/57/82/09/264578209.db2.gz XZQFLDWAKJMPGJ-BXKDBHETSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CN1CC(=O)NC1=O ZINC000294052916 265005074 /nfs/dbraw/zinc/00/50/74/265005074.db2.gz UGYWUMYMXYDCKY-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO CN(C)C[C@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000519155418 265343160 /nfs/dbraw/zinc/34/31/60/265343160.db2.gz DSTZUPMBJAUCLJ-NEPJUHHUSA-N 1 0 258.366 -1.295 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000357389755 266288191 /nfs/dbraw/zinc/28/81/91/266288191.db2.gz LSVDMIULHZXBBW-MRVPVSSYSA-N 1 0 290.345 -1.639 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CC[C@H](S(N)(=O)=O)C1 ZINC000357389760 266288308 /nfs/dbraw/zinc/28/83/08/266288308.db2.gz LSVDMIULHZXBBW-QMMMGPOBSA-N 1 0 290.345 -1.639 20 30 CAEDRO C=C[C@@H](CO)Nc1nc(NC)[nH+]c(N[C@@H](C=C)CO)n1 ZINC000357588773 266331786 /nfs/dbraw/zinc/33/17/86/266331786.db2.gz ATJYWAKMFLBGSZ-IUCAKERBSA-N 1 0 280.332 -1.903 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001114310961 782039570 /nfs/dbraw/zinc/03/95/70/782039570.db2.gz FRQXEXNDZKYBID-WYUUTHIRSA-N 1 0 299.396 -1.006 20 30 CAEDRO CC#CC[NH2+]CCN(CC)C(=O)CN1C(=O)CNC1=O ZINC001273737697 782048019 /nfs/dbraw/zinc/04/80/19/782048019.db2.gz JFUVYUJNHKEKCI-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197155805 782048636 /nfs/dbraw/zinc/04/86/36/782048636.db2.gz PDKWWIMCKFJAQB-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197171821 782050254 /nfs/dbraw/zinc/05/02/54/782050254.db2.gz LHQLNDATMWSBPS-GHMZBOCLSA-N 1 0 278.316 -1.752 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784595 782059641 /nfs/dbraw/zinc/05/96/41/782059641.db2.gz ZCLNOKFJOWGKKX-VXGBXAGGSA-N 1 0 269.345 -1.641 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 ZINC001198366568 782066323 /nfs/dbraw/zinc/06/63/23/782066323.db2.gz MPCWMUGUKZTBMK-GHMZBOCLSA-N 1 0 291.307 -1.196 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198690006 782070044 /nfs/dbraw/zinc/07/00/44/782070044.db2.gz RQEBELODDKZGNE-MGPQQGTHSA-N 1 0 295.383 -1.251 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001198761093 782071030 /nfs/dbraw/zinc/07/10/30/782071030.db2.gz AMDWEUYPKLXNCY-NXEZZACHSA-N 1 0 291.373 -1.727 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001251884725 782081014 /nfs/dbraw/zinc/08/10/14/782081014.db2.gz FIZLDTMAOUWMJZ-NSHDSACASA-N 1 0 256.302 -1.555 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](CO)Cc1c[nH]cn1 ZINC001251888286 782082407 /nfs/dbraw/zinc/08/24/07/782082407.db2.gz QWLMEJSWRDDXJS-VXGBXAGGSA-N 1 0 253.302 -1.087 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001251887568 782082430 /nfs/dbraw/zinc/08/24/30/782082430.db2.gz FPYPSHGKHRYFNX-SNVBAGLBSA-N 1 0 262.331 -1.770 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001251887567 782082908 /nfs/dbraw/zinc/08/29/08/782082908.db2.gz FPYPSHGKHRYFNX-JTQLQIEISA-N 1 0 262.331 -1.770 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])C(=O)c1cnc(C#N)cn1 ZINC001199662283 782084184 /nfs/dbraw/zinc/08/41/84/782084184.db2.gz TULTUZJFPHLEQU-UHFFFAOYSA-N 1 0 269.286 -1.291 20 30 CAEDRO CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001199600016 782084193 /nfs/dbraw/zinc/08/41/93/782084193.db2.gz FTVDUXXGUJDHNX-NSHDSACASA-N 1 0 268.317 -1.147 20 30 CAEDRO COCC#CC[NH2+]C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001199234027 782076157 /nfs/dbraw/zinc/07/61/57/782076157.db2.gz YUCMECCWZPIHOP-UHFFFAOYSA-N 1 0 292.343 -1.097 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199264946 782078192 /nfs/dbraw/zinc/07/81/92/782078192.db2.gz JCWAQWBSAOBWKA-UHFFFAOYSA-N 1 0 297.359 -1.463 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC)CCCO1 ZINC001199591066 782084861 /nfs/dbraw/zinc/08/48/61/782084861.db2.gz NJAYYBOFAFLKGQ-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1=O ZINC000366462196 328012715 /nfs/dbraw/zinc/01/27/15/328012715.db2.gz NGSVNJBJDOHGLB-MBTKJCJQSA-N 1 0 292.295 -1.703 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001251894299 782085858 /nfs/dbraw/zinc/08/58/58/782085858.db2.gz RLWLPVGWOPOTAJ-CABZTGNLSA-N 1 0 254.286 -1.218 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(C)=O)CCCO1 ZINC001199717629 782085871 /nfs/dbraw/zinc/08/58/71/782085871.db2.gz YPPHABCQJJEHGW-LBPRGKRZSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199788530 782087222 /nfs/dbraw/zinc/08/72/22/782087222.db2.gz ZDCHOYIQGBQOFP-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001199816463 782087522 /nfs/dbraw/zinc/08/75/22/782087522.db2.gz JXVNHSGYSAVFJV-QMMMGPOBSA-N 1 0 281.316 -1.078 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199810313 782087894 /nfs/dbraw/zinc/08/78/94/782087894.db2.gz ILTHSINCQDLARO-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001199816456 782087966 /nfs/dbraw/zinc/08/79/66/782087966.db2.gz JXVNHSGYSAVFJV-MRVPVSSYSA-N 1 0 281.316 -1.078 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199787962 782088154 /nfs/dbraw/zinc/08/81/54/782088154.db2.gz RLTSXHNOJJPZEK-LLVKDONJSA-N 1 0 278.316 -1.487 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC001199903397 782088815 /nfs/dbraw/zinc/08/88/15/782088815.db2.gz BJNQGFOHPGNDEM-UHFFFAOYSA-N 1 0 280.328 -1.808 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC001199912633 782088960 /nfs/dbraw/zinc/08/89/60/782088960.db2.gz ZWTSXFDVOWCYJW-UHFFFAOYSA-N 1 0 282.344 -1.255 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200116652 782092296 /nfs/dbraw/zinc/09/22/96/782092296.db2.gz ZJMCCJRMIJNOJM-ZJUUUORDSA-N 1 0 268.317 -1.162 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001200171290 782093367 /nfs/dbraw/zinc/09/33/67/782093367.db2.gz WLMKTJVMUUSHKK-JTQLQIEISA-N 1 0 294.355 -1.420 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037803060 326862464 /nfs/dbraw/zinc/86/24/64/326862464.db2.gz HMSDEGFXVNMUKF-NWDGAFQWSA-N 1 0 296.371 -1.844 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000091410853 327102682 /nfs/dbraw/zinc/10/26/82/327102682.db2.gz AORHAOZKPSGOBO-UHFFFAOYSA-N 1 0 266.345 -1.348 20 30 CAEDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC#CCO)c1 ZINC000569456387 327179622 /nfs/dbraw/zinc/17/96/22/327179622.db2.gz HSGHQRPSCWYTTB-JTQLQIEISA-N 1 0 254.246 -1.263 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000155706182 327396643 /nfs/dbraw/zinc/39/66/43/327396643.db2.gz HFWGOVWHTISFBT-UWVGGRQHSA-N 1 0 273.358 -1.252 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CCN2C(=O)NC[C@@H]2C1 ZINC000175923044 329170916 /nfs/dbraw/zinc/17/09/16/329170916.db2.gz SKVLJXVOZOPPNI-VHSXEESVSA-N 1 0 250.302 -1.166 20 30 CAEDRO C=C(C)COCCNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419397369 329723004 /nfs/dbraw/zinc/72/30/04/329723004.db2.gz FEDNZPBHMQGACE-QWRGUYRKSA-N 1 0 285.344 -1.514 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]([NH3+])CC)C1=O ZINC000571763607 329918458 /nfs/dbraw/zinc/91/84/58/329918458.db2.gz LNSGNLXSPNSCGF-MRVPVSSYSA-N 1 0 282.300 -1.183 20 30 CAEDRO CCC(=O)N1CC[C@@H](NC(NCC(=O)NC)=[NH+]C)C1 ZINC000261664736 329975702 /nfs/dbraw/zinc/97/57/02/329975702.db2.gz BGRINZYGOAGLOC-SECBINFHSA-N 1 0 269.349 -1.092 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261726999 329979992 /nfs/dbraw/zinc/97/99/92/329979992.db2.gz LEJQJMDBANEPFL-UHFFFAOYSA-N 1 0 298.391 -1.811 20 30 CAEDRO [NH2+]=C(NCCN1CCNC(=O)C1)N1CCOCC1 ZINC000262152748 330000724 /nfs/dbraw/zinc/00/07/24/330000724.db2.gz AXOCFXNQWBXRME-UHFFFAOYSA-N 1 0 255.322 -1.935 20 30 CAEDRO C[C@H]1CN(C(=[NH2+])NCCNS(C)(=O)=O)CCO1 ZINC000262496210 330017687 /nfs/dbraw/zinc/01/76/87/330017687.db2.gz WMEWZFAAWGHLAZ-QMMMGPOBSA-N 1 0 264.351 -1.429 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262354068 330007658 /nfs/dbraw/zinc/00/76/58/330007658.db2.gz ZKORYJNTAZUPQL-SECBINFHSA-N 1 0 269.349 -1.140 20 30 CAEDRO CN(C)S(=O)(=O)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262407367 330008436 /nfs/dbraw/zinc/00/84/36/330008436.db2.gz WSHORPXHBNAIEU-VIFPVBQESA-N 1 0 278.378 -1.039 20 30 CAEDRO CS(=O)(=O)N1CC(CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262434150 330010461 /nfs/dbraw/zinc/01/04/61/330010461.db2.gz KRZYJDSEFJYDOK-JTQLQIEISA-N 1 0 290.389 -1.039 20 30 CAEDRO CS(=O)(=O)N1CC(CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262434151 330010561 /nfs/dbraw/zinc/01/05/61/330010561.db2.gz KRZYJDSEFJYDOK-SNVBAGLBSA-N 1 0 290.389 -1.039 20 30 CAEDRO CCS(=O)(=O)NCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262447654 330013584 /nfs/dbraw/zinc/01/35/84/330013584.db2.gz JEGGKSKXWHFCKA-SECBINFHSA-N 1 0 278.378 -1.039 20 30 CAEDRO C[C@H]1CN(C(=[NH2+])NCCN2CCNC(=O)C2)CCO1 ZINC000262457155 330014385 /nfs/dbraw/zinc/01/43/85/330014385.db2.gz LLHHBLUKTLHAKC-JTQLQIEISA-N 1 0 269.349 -1.546 20 30 CAEDRO NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])N2CCOCC2)O1 ZINC000262461172 330014553 /nfs/dbraw/zinc/01/45/53/330014553.db2.gz XNMMWQZIZJECOY-RKDXNWHRSA-N 1 0 256.306 -1.334 20 30 CAEDRO C[C@@H]1CN(C(=[NH2+])NCC(=O)N2CCOCC2)CCO1 ZINC000262495649 330017678 /nfs/dbraw/zinc/01/76/78/330017678.db2.gz WGQKANJXWUFFSI-SNVBAGLBSA-N 1 0 270.333 -1.119 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[NH2+]2)C1=O ZINC000262589637 330018090 /nfs/dbraw/zinc/01/80/90/330018090.db2.gz QMWAMNDNYBVXMK-VIFPVBQESA-N 1 0 294.311 -1.169 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)[NH3+])C1=O ZINC000262626902 330022598 /nfs/dbraw/zinc/02/25/98/330022598.db2.gz LFFXXKINJWASAL-UHFFFAOYSA-N 1 0 282.300 -1.183 20 30 CAEDRO [NH2+]=C(NCCN1C(=O)CNC1=O)NC[C@H]1CCCO1 ZINC000262523682 330022797 /nfs/dbraw/zinc/02/27/97/330022797.db2.gz FWVNRNWMBMRRRZ-MRVPVSSYSA-N 1 0 269.305 -1.379 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[NH2+]C2)C1=O ZINC000262784302 330028006 /nfs/dbraw/zinc/02/80/06/330028006.db2.gz ZEDXHSXZGIIERJ-SECBINFHSA-N 1 0 294.311 -1.169 20 30 CAEDRO [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCOCC1 ZINC000262827599 330034367 /nfs/dbraw/zinc/03/43/67/330034367.db2.gz YUVAVTPEPPCXAY-NSHDSACASA-N 1 0 253.350 -1.367 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000271946152 330082921 /nfs/dbraw/zinc/08/29/21/330082921.db2.gz ACAGHGSALFMZKB-NSHDSACASA-N 1 0 296.371 -1.185 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H](C)[NH2+]1 ZINC000423273020 330184667 /nfs/dbraw/zinc/18/46/67/330184667.db2.gz KDYAXEFLIYPSJO-OUAUKWLOSA-N 1 0 280.328 -1.054 20 30 CAEDRO CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[NH2+]1 ZINC000423274006 330184732 /nfs/dbraw/zinc/18/47/32/330184732.db2.gz LIMUQRHHCJGJCH-JTQLQIEISA-N 1 0 280.328 -1.052 20 30 CAEDRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424170435 330310787 /nfs/dbraw/zinc/31/07/87/330310787.db2.gz AZEMFDODVZPHFI-NXEZZACHSA-N 1 0 296.327 -1.102 20 30 CAEDRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424170438 330310831 /nfs/dbraw/zinc/31/08/31/330310831.db2.gz AZEMFDODVZPHFI-ZJUUUORDSA-N 1 0 296.327 -1.102 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[NH2+]CC2)nn1 ZINC000424536081 330369782 /nfs/dbraw/zinc/36/97/82/330369782.db2.gz AZHXGYVCTXKSAA-UHFFFAOYSA-N 1 0 278.316 -1.488 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000424553099 330374524 /nfs/dbraw/zinc/37/45/24/330374524.db2.gz YWLDTIIWVRFDPD-TUAOUCFPSA-N 1 0 297.355 -1.202 20 30 CAEDRO C=CCCS(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000516063167 330486451 /nfs/dbraw/zinc/48/64/51/330486451.db2.gz OMZZIEMOXMXNIC-UHFFFAOYSA-N 1 0 261.347 -1.086 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000490713475 332107090 /nfs/dbraw/zinc/10/70/90/332107090.db2.gz KIDPXHJYKVFZKS-KBPBESRZSA-N 1 0 295.383 -1.155 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000490741443 332111800 /nfs/dbraw/zinc/11/18/00/332111800.db2.gz VAWDWSWFAIEBDP-KGLIPLIRSA-N 1 0 297.399 -1.173 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000491119866 332151993 /nfs/dbraw/zinc/15/19/93/332151993.db2.gz JXTMFOXUSVJOFY-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000491119867 332152076 /nfs/dbraw/zinc/15/20/76/332152076.db2.gz JXTMFOXUSVJOFY-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CN1CCC(=O)NC1=O ZINC000491230645 332170659 /nfs/dbraw/zinc/17/06/59/332170659.db2.gz NWLFMZYNCABFNT-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000491387681 332202531 /nfs/dbraw/zinc/20/25/31/332202531.db2.gz YKIFHHQZVMPMDQ-UWVGGRQHSA-N 1 0 251.286 -1.675 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000491387688 332202640 /nfs/dbraw/zinc/20/26/40/332202640.db2.gz YKIFHHQZVMPMDQ-VHSXEESVSA-N 1 0 251.286 -1.675 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCCC[NH2+]CC ZINC000491408913 332207065 /nfs/dbraw/zinc/20/70/65/332207065.db2.gz XRBLVSAELFNJIM-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCC[NH2+]CC ZINC000491408914 332207100 /nfs/dbraw/zinc/20/71/00/332207100.db2.gz XRBLVSAELFNJIM-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCN1CCN(C(=O)CN2CCc3nn[nH]c3C2)CC1 ZINC000491425530 332208915 /nfs/dbraw/zinc/20/89/15/332208915.db2.gz AFTABJDUDFFURJ-UHFFFAOYSA-N 1 0 288.355 -1.060 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 ZINC000491454183 332215031 /nfs/dbraw/zinc/21/50/31/332215031.db2.gz WQFCADRDOTVIAN-NXEZZACHSA-N 1 0 253.302 -1.252 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+](C[C@H](O)CO)C(C)C)CC1 ZINC000491503948 332224393 /nfs/dbraw/zinc/22/43/93/332224393.db2.gz FPIYYJUCVISWNM-AWEZNQCLSA-N 1 0 297.399 -1.173 20 30 CAEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000491621404 332246655 /nfs/dbraw/zinc/24/66/55/332246655.db2.gz GHJWKIVALSOWKW-PSASIEDQSA-N 1 0 254.246 -1.264 20 30 CAEDRO C#C[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000491621446 332246676 /nfs/dbraw/zinc/24/66/76/332246676.db2.gz GHJWKIVALSOWKW-SCZZXKLOSA-N 1 0 254.246 -1.264 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)C1=O ZINC000491628175 332251390 /nfs/dbraw/zinc/25/13/90/332251390.db2.gz LJQKPIORJLIEPC-VHSXEESVSA-N 1 0 263.297 -1.043 20 30 CAEDRO C#CCN1C(=O)C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)C1=O ZINC000491628174 332251411 /nfs/dbraw/zinc/25/14/11/332251411.db2.gz LJQKPIORJLIEPC-UWVGGRQHSA-N 1 0 263.297 -1.043 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CC1CN(S(=O)(=O)CC)C1 ZINC000491629025 332252129 /nfs/dbraw/zinc/25/21/29/332252129.db2.gz VYEPPNSHLWJPGG-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCNS(=O)(=O)CC ZINC000491635446 332256622 /nfs/dbraw/zinc/25/66/22/332256622.db2.gz VAJXUTWTXLTATI-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000491638194 332258600 /nfs/dbraw/zinc/25/86/00/332258600.db2.gz NIQNIQVUMAKRLV-SECBINFHSA-N 1 0 251.286 -1.137 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000491670084 332277319 /nfs/dbraw/zinc/27/73/19/332277319.db2.gz CZLULDSNVYLPBA-QMMMGPOBSA-N 1 0 252.274 -1.654 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCn1cc(C(=O)OC)nn1 ZINC000491670389 332277483 /nfs/dbraw/zinc/27/74/83/332277483.db2.gz QRZICVIJTHEIHI-UHFFFAOYSA-N 1 0 279.300 -1.206 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000491675315 332280791 /nfs/dbraw/zinc/28/07/91/332280791.db2.gz LWLQDOJRLPIHAW-UTUOFQBUSA-N 1 0 279.340 -1.039 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000491705171 332298578 /nfs/dbraw/zinc/29/85/78/332298578.db2.gz IQADDCANIIJTJS-JSGCOSHPSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000491748550 332325896 /nfs/dbraw/zinc/32/58/96/332325896.db2.gz OVAIAIXIBXWMPU-HNNXBMFYSA-N 1 0 292.383 -1.039 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000491777018 332342350 /nfs/dbraw/zinc/34/23/50/332342350.db2.gz GXYJNMQTHPVYCW-CHWSQXEVSA-N 1 0 281.356 -1.545 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000491788925 332351198 /nfs/dbraw/zinc/35/11/98/332351198.db2.gz TWDMSSMBCGFYFA-GHMZBOCLSA-N 1 0 265.313 -1.333 20 30 CAEDRO C[NH+]=C(NCCNC(=O)OC)NCCN1CCOCC1 ZINC000496636633 332555366 /nfs/dbraw/zinc/55/53/66/332555366.db2.gz NOTWBWZKRFUSQP-UHFFFAOYSA-N 1 0 287.364 -1.160 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000177358880 333058020 /nfs/dbraw/zinc/05/80/20/333058020.db2.gz KKGHJPNTIVRPLY-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCN1CCNC(=O)C1 ZINC000575862584 335124837 /nfs/dbraw/zinc/12/48/37/335124837.db2.gz DZFOVJPTGRZHPB-GFCCVEGCSA-N 1 0 283.376 -1.786 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000232115661 333334240 /nfs/dbraw/zinc/33/42/40/333334240.db2.gz YITDVOWXZNODOW-GFCCVEGCSA-N 1 0 298.387 -1.203 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200480101 782096003 /nfs/dbraw/zinc/09/60/03/782096003.db2.gz WNWNTCYBUVBKTR-VXGBXAGGSA-N 1 0 297.355 -1.283 20 30 CAEDRO C[NH+]1CCC(C#N)(NC(=O)CN2CCOCC2=O)CC1 ZINC000547732658 334113080 /nfs/dbraw/zinc/11/30/80/334113080.db2.gz QNZZSEICGHSXLG-UHFFFAOYSA-N 1 0 280.328 -1.051 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC001200404610 782096137 /nfs/dbraw/zinc/09/61/37/782096137.db2.gz NULNDNLRAJAVIW-QWRGUYRKSA-N 1 0 281.312 -1.065 20 30 CAEDRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C[C@H](C)O1 ZINC000581425346 336075025 /nfs/dbraw/zinc/07/50/25/336075025.db2.gz NJBIEFLCOZCYLH-GRYCIOLGSA-N 1 0 284.360 -1.314 20 30 CAEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC(=O)NCCO)cc1 ZINC000581489202 336088325 /nfs/dbraw/zinc/08/83/25/336088325.db2.gz PGOZKZZQUNPKFC-GFCCVEGCSA-N 1 0 293.323 -1.004 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384797398 336131431 /nfs/dbraw/zinc/13/14/31/336131431.db2.gz ARDUPEMOPFPWBE-LLVKDONJSA-N 1 0 266.345 -1.205 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)CNC(=O)OC ZINC001273879928 782100815 /nfs/dbraw/zinc/10/08/15/782100815.db2.gz TUPQPPJHSVAYFU-PLNGDYQASA-N 1 0 296.327 -1.646 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 ZINC001201188190 782101994 /nfs/dbraw/zinc/10/19/94/782101994.db2.gz YQCIMXKFNYOBEC-JTQLQIEISA-N 1 0 278.316 -1.336 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201267964 782102059 /nfs/dbraw/zinc/10/20/59/782102059.db2.gz ARIOELGMYHLBGL-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201301605 782102902 /nfs/dbraw/zinc/10/29/02/782102902.db2.gz GJPLSYBXLPVNGN-SNVBAGLBSA-N 1 0 298.343 -2.019 20 30 CAEDRO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201294351 782102948 /nfs/dbraw/zinc/10/29/48/782102948.db2.gz XLROGTTUPRLOHH-LLVKDONJSA-N 1 0 285.344 -1.119 20 30 CAEDRO C=CCOCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201294352 782103023 /nfs/dbraw/zinc/10/30/23/782103023.db2.gz XLROGTTUPRLOHH-NSHDSACASA-N 1 0 285.344 -1.119 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269543 782103399 /nfs/dbraw/zinc/10/33/99/782103399.db2.gz RFBOYGCUKDKEJU-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201301604 782103610 /nfs/dbraw/zinc/10/36/10/782103610.db2.gz GJPLSYBXLPVNGN-JTQLQIEISA-N 1 0 298.343 -2.019 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201294089 782103864 /nfs/dbraw/zinc/10/38/64/782103864.db2.gz QSWUBAYACTWYSG-JTQLQIEISA-N 1 0 296.327 -2.572 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269542 782103905 /nfs/dbraw/zinc/10/39/05/782103905.db2.gz RFBOYGCUKDKEJU-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001201428185 782104708 /nfs/dbraw/zinc/10/47/08/782104708.db2.gz JHIMLINOTMBJST-UHFFFAOYSA-N 1 0 291.315 -1.361 20 30 CAEDRO C=CC[NH2+]C1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001201840616 782106684 /nfs/dbraw/zinc/10/66/84/782106684.db2.gz QDCNZFRBNRSHOP-UHFFFAOYSA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001201840978 782107427 /nfs/dbraw/zinc/10/74/27/782107427.db2.gz WCJXUJGRBJGMBG-UHFFFAOYSA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203325193 782107617 /nfs/dbraw/zinc/10/76/17/782107617.db2.gz KLHVMMSNEMPONR-NXEZZACHSA-N 1 0 292.339 -1.762 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cnnn1 ZINC001273830744 782096373 /nfs/dbraw/zinc/09/63/73/782096373.db2.gz CNZIRZCCMQTBRT-ARJAWSKDSA-N 1 0 291.315 -2.316 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520081 782097225 /nfs/dbraw/zinc/09/72/25/782097225.db2.gz ONZHGDQRHOOQAK-LLVKDONJSA-N 1 0 278.316 -1.487 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520681 782097375 /nfs/dbraw/zinc/09/73/75/782097375.db2.gz XKKQIJNJDMCFBB-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 ZINC001273867914 782098760 /nfs/dbraw/zinc/09/87/60/782098760.db2.gz XJZWNOCPGNUOBW-ZDUSSCGKSA-N 1 0 267.329 -1.172 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1COCCO1 ZINC001273871493 782099163 /nfs/dbraw/zinc/09/91/63/782099163.db2.gz SPBVEJIGXJXNNJ-RFMOXSJOSA-N 1 0 296.327 -1.696 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1COCCO1 ZINC001273860298 782099261 /nfs/dbraw/zinc/09/92/61/782099261.db2.gz DTHPKLWKXGYJKC-VSQXVHSFSA-N 1 0 295.339 -1.587 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001273871492 782099481 /nfs/dbraw/zinc/09/94/81/782099481.db2.gz SPBVEJIGXJXNNJ-GXFZAYBSSA-N 1 0 296.327 -1.696 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 ZINC001201155570 782099705 /nfs/dbraw/zinc/09/97/05/782099705.db2.gz NUSRCLUOFGDYAH-NWDGAFQWSA-N 1 0 294.355 -1.150 20 30 CAEDRO COCC#CC[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202250413 782110874 /nfs/dbraw/zinc/11/08/74/782110874.db2.gz AWOYROYVCMVODB-UHFFFAOYSA-N 1 0 253.302 -1.298 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203326008 782110817 /nfs/dbraw/zinc/11/08/17/782110817.db2.gz ROJJYKAMMCKXQH-BDAKNGLRSA-N 1 0 293.327 -1.872 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202273155 782112389 /nfs/dbraw/zinc/11/23/89/782112389.db2.gz KGMXGUGRGLYKDV-SECBINFHSA-N 1 0 280.328 -1.810 20 30 CAEDRO COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001202231478 782112571 /nfs/dbraw/zinc/11/25/71/782112571.db2.gz NLDMPVKWCXEYPZ-GFCCVEGCSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)COC ZINC001114368149 782118169 /nfs/dbraw/zinc/11/81/69/782118169.db2.gz GJJFOXZJIXYJFZ-YABSGUDNSA-N 1 0 279.340 -1.181 20 30 CAEDRO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001114374044 782118221 /nfs/dbraw/zinc/11/82/21/782118221.db2.gz MIAQTFRQFQCVSP-PJXYFTJBSA-N 1 0 294.355 -1.388 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)COC ZINC001114320853 782117348 /nfs/dbraw/zinc/11/73/48/782117348.db2.gz BGPSFRHSBCFRFH-MEWQQHAOSA-N 1 0 279.340 -1.183 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153887062 782123528 /nfs/dbraw/zinc/12/35/28/782123528.db2.gz NIRREOJWYFICNO-QMMMGPOBSA-N 1 0 295.299 -2.615 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001203327649 782125931 /nfs/dbraw/zinc/12/59/31/782125931.db2.gz YNDIUWMZDIUFMS-VHSXEESVSA-N 1 0 294.355 -1.209 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001203327651 782126044 /nfs/dbraw/zinc/12/60/44/782126044.db2.gz YNDIUWMZDIUFMS-ZJUUUORDSA-N 1 0 294.355 -1.209 20 30 CAEDRO C=CC[NH2+]C/C=C/CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001274035834 782130278 /nfs/dbraw/zinc/13/02/78/782130278.db2.gz LWKNOLBPRVCMGC-ONEGZZNKSA-N 1 0 278.316 -1.175 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CNC(C)=O)C1 ZINC001279182846 782131062 /nfs/dbraw/zinc/13/10/62/782131062.db2.gz YXNDJTDAVUHGCH-UHFFFAOYSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCN1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274055196 782132335 /nfs/dbraw/zinc/13/23/35/782132335.db2.gz ZYUJHGABQUHIBB-CYBMUJFWSA-N 1 0 263.297 -1.054 20 30 CAEDRO CNC(NCCN1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000750544680 582142908 /nfs/dbraw/zinc/14/29/08/582142908.db2.gz QWTZEZPGVVQXJV-UHFFFAOYSA-N 1 0 277.394 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)COCC ZINC001154332539 782138592 /nfs/dbraw/zinc/13/85/92/782138592.db2.gz GNFGZRAHDAMKJA-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO CC#CC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001274241584 782140613 /nfs/dbraw/zinc/14/06/13/782140613.db2.gz QDNDAARKHNMFHZ-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001274264320 782142611 /nfs/dbraw/zinc/14/26/11/782142611.db2.gz XXEYHCVCFZGPKL-LWTINBJPSA-N 1 0 250.302 -1.095 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001274288708 782143333 /nfs/dbraw/zinc/14/33/33/782143333.db2.gz UCHUZOORUHNCRD-KQICPDCUSA-N 1 0 292.339 -1.219 20 30 CAEDRO C[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001274269022 782142003 /nfs/dbraw/zinc/14/20/03/782142003.db2.gz HXCPCJWLOOQKKW-SCZZXKLOSA-N 1 0 292.299 -1.241 20 30 CAEDRO C#CCC[NH2+][C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001274299599 782143621 /nfs/dbraw/zinc/14/36/21/782143621.db2.gz UYSDRSVSBHRXNB-MNOVXSKESA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCC[NH2+][C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001274299600 782143863 /nfs/dbraw/zinc/14/38/63/782143863.db2.gz UYSDRSVSBHRXNB-QWRGUYRKSA-N 1 0 287.385 -1.005 20 30 CAEDRO C=CCOCC[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001274550541 782149865 /nfs/dbraw/zinc/14/98/65/782149865.db2.gz WAXLMMZLWGYDRS-UHFFFAOYSA-N 1 0 285.344 -1.383 20 30 CAEDRO Cn1ccc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)n1 ZINC001274579991 782153031 /nfs/dbraw/zinc/15/30/31/782153031.db2.gz YMPLDFCAIOVVHV-IHWYPQMZSA-N 1 0 290.327 -1.065 20 30 CAEDRO Cn1ccc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)n1 ZINC001274579992 782153449 /nfs/dbraw/zinc/15/34/49/782153449.db2.gz YMPLDFCAIOVVHV-NSCUHMNNSA-N 1 0 290.327 -1.065 20 30 CAEDRO C#CCN1C[C@]2(CC[N@@H+](C[C@H](O)C(=O)OC)C2)OCC1=O ZINC001274604756 782153515 /nfs/dbraw/zinc/15/35/15/782153515.db2.gz XPSLZGMUXGURIZ-SMDDNHRTSA-N 1 0 296.323 -1.543 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)COC ZINC001274651387 782154431 /nfs/dbraw/zinc/15/44/31/782154431.db2.gz WFJOWEQSVXMELQ-NXEZZACHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)COC ZINC001274651388 782155045 /nfs/dbraw/zinc/15/50/45/782155045.db2.gz WFJOWEQSVXMELQ-ZJUUUORDSA-N 1 0 255.318 -1.135 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N(CCO)CCOCCO ZINC000862245635 582246369 /nfs/dbraw/zinc/24/63/69/582246369.db2.gz UZPRPZNHNSIODV-UHFFFAOYSA-N 1 0 260.334 -1.066 20 30 CAEDRO CCN(CCC#N)S(=O)(=O)NCC[N@H+](C)CCO ZINC000885803924 582277839 /nfs/dbraw/zinc/27/78/39/582277839.db2.gz BGZOSQIHUSQSNM-UHFFFAOYSA-N 1 0 278.378 -1.020 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC(N)=O ZINC001274709410 782156303 /nfs/dbraw/zinc/15/63/03/782156303.db2.gz NWMXYJCGJHUDGR-RKDXNWHRSA-N 1 0 270.333 -1.353 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C#CC1CC1 ZINC001274746691 782157312 /nfs/dbraw/zinc/15/73/12/782157312.db2.gz DMGYVNYNHDRNPA-SECBINFHSA-N 1 0 280.328 -1.050 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001274759841 782157449 /nfs/dbraw/zinc/15/74/49/782157449.db2.gz HEQPSRDOTPFGOG-MRVPVSSYSA-N 1 0 266.305 -1.343 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCNC(=O)C1 ZINC001274721231 782157938 /nfs/dbraw/zinc/15/79/38/782157938.db2.gz BVYRSYSZXUQVSP-ZJUUUORDSA-N 1 0 295.343 -1.753 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001274779519 782159071 /nfs/dbraw/zinc/15/90/71/782159071.db2.gz DCPWLXZEIMXYTB-QWRGUYRKSA-N 1 0 282.344 -1.198 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001274818948 782159291 /nfs/dbraw/zinc/15/92/91/782159291.db2.gz RCSCLORRSLETFQ-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001274768074 782158177 /nfs/dbraw/zinc/15/81/77/782158177.db2.gz TURZVGAGBZHQNN-ZJUUUORDSA-N 1 0 297.359 -1.365 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001274722491 782158351 /nfs/dbraw/zinc/15/83/51/782158351.db2.gz YNPMGPFZZNRXCO-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001274780977 782159918 /nfs/dbraw/zinc/15/99/18/782159918.db2.gz NNRNUJBYCVOTHE-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000520229599 517923331 /nfs/dbraw/zinc/92/33/31/517923331.db2.gz XSFCZWDVVLLUKG-JTQLQIEISA-N 1 0 275.378 -1.430 20 30 CAEDRO Cn1nnc(CNC(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC000330222073 534328506 /nfs/dbraw/zinc/32/85/06/534328506.db2.gz MDAZTXISPTUCRH-UHFFFAOYSA-N 1 0 283.336 -1.064 20 30 CAEDRO N#CCN1CC[NH+](CCCCCNC(=O)C(N)=O)CC1 ZINC001274879301 782161442 /nfs/dbraw/zinc/16/14/42/782161442.db2.gz WJBPACNJMWPWJW-UHFFFAOYSA-N 1 0 281.360 -1.101 20 30 CAEDRO Cn1c(NCC[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000291334458 521791704 /nfs/dbraw/zinc/79/17/04/521791704.db2.gz LRTATRXVPLSSCZ-UHFFFAOYSA-N 1 0 251.290 -1.071 20 30 CAEDRO C=CCC[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001274924291 782162843 /nfs/dbraw/zinc/16/28/43/782162843.db2.gz PKWHVOXNSGDCNT-UHFFFAOYSA-N 1 0 255.318 -1.009 20 30 CAEDRO C#CCC[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001274924693 782162813 /nfs/dbraw/zinc/16/28/13/782162813.db2.gz VQQJDAXOYFPSDL-UHFFFAOYSA-N 1 0 253.302 -1.562 20 30 CAEDRO Cn1cc(C#N)c(=O)n(C[C@@H](O)C[N@H+](C)C2CC2)c1=O ZINC000290745705 523100903 /nfs/dbraw/zinc/10/09/03/523100903.db2.gz IATUGJBZQJFGBK-NSHDSACASA-N 1 0 278.312 -1.126 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001274967917 782164056 /nfs/dbraw/zinc/16/40/56/782164056.db2.gz PSWZXOSMLWEPQF-SNVBAGLBSA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C[NH3+])C1=O ZINC000347662913 526398617 /nfs/dbraw/zinc/39/86/17/526398617.db2.gz GFMJAJMNNRNOBS-ZETCQYMHSA-N 1 0 268.273 -1.573 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C[NH3+])C1=O ZINC000347662909 526399490 /nfs/dbraw/zinc/39/94/90/526399490.db2.gz GFMJAJMNNRNOBS-SSDOTTSWSA-N 1 0 268.273 -1.573 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001275001353 782164220 /nfs/dbraw/zinc/16/42/20/782164220.db2.gz NEMMXQJARLGAAJ-SECBINFHSA-N 1 0 265.317 -1.382 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001275105697 782165247 /nfs/dbraw/zinc/16/52/47/782165247.db2.gz XHDOSHTYRJJDCS-RYUDHWBXSA-N 1 0 296.371 -1.839 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1ncnn1 ZINC001275156423 782165331 /nfs/dbraw/zinc/16/53/31/782165331.db2.gz CWAKTGKNZHWRGW-UWVGGRQHSA-N 1 0 295.347 -1.542 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001275112592 782165563 /nfs/dbraw/zinc/16/55/63/782165563.db2.gz IZCLOLUBKYTOMU-JTQLQIEISA-N 1 0 292.343 -1.419 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cn(C)cn1 ZINC001275122224 782165485 /nfs/dbraw/zinc/16/54/85/782165485.db2.gz XUYXOGOVHWTKGF-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CCOCC1 ZINC001275128895 782166164 /nfs/dbraw/zinc/16/61/64/782166164.db2.gz UZDBQONUXNMJDG-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC(C)(C)O ZINC001275135730 782166035 /nfs/dbraw/zinc/16/60/35/782166035.db2.gz LXHGQPFTLRXRDQ-JTQLQIEISA-N 1 0 269.345 -1.009 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001275208551 782167109 /nfs/dbraw/zinc/16/71/09/782167109.db2.gz JMQZTJFBKUCQTE-VIFPVBQESA-N 1 0 270.333 -1.481 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001275208675 782167347 /nfs/dbraw/zinc/16/73/47/782167347.db2.gz MMNPKJZBNUXNSQ-JTQLQIEISA-N 1 0 265.317 -1.301 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001275209909 782167356 /nfs/dbraw/zinc/16/73/56/782167356.db2.gz WMOLIBFEOVKCJU-JTQLQIEISA-N 1 0 276.358 -1.225 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001275259473 782168572 /nfs/dbraw/zinc/16/85/72/782168572.db2.gz WIIAHHALIGJRBZ-WPRPVWTQSA-N 1 0 292.343 -1.041 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037803061 545505040 /nfs/dbraw/zinc/50/50/40/545505040.db2.gz HMSDEGFXVNMUKF-NEPJUHHUSA-N 1 0 296.371 -1.844 20 30 CAEDRO O=C1CCN(CC#CC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000284015416 545534624 /nfs/dbraw/zinc/53/46/24/545534624.db2.gz HMOUBNLSHOOMOC-UHFFFAOYSA-N 1 0 278.356 -1.366 20 30 CAEDRO CN(CC#CCN(C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000671242328 545553873 /nfs/dbraw/zinc/55/38/73/545553873.db2.gz DANXKHBIIYWIKJ-TXEJJXNPSA-N 1 0 278.356 -1.370 20 30 CAEDRO C=CCNC(=O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688780 545563771 /nfs/dbraw/zinc/56/37/71/545563771.db2.gz NPCVHYBCIPAFLJ-UHFFFAOYSA-N 1 0 268.361 -1.006 20 30 CAEDRO CC#CC[NH2+]CC1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001275268427 782169032 /nfs/dbraw/zinc/16/90/32/782169032.db2.gz KSMAOAYASWDRNZ-UHFFFAOYSA-N 1 0 292.383 -1.074 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CCNC(N)=O ZINC001275434057 782171178 /nfs/dbraw/zinc/17/11/78/782171178.db2.gz CHSLZMVXJNVNGE-JTQLQIEISA-N 1 0 270.333 -1.211 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccn(C)n1 ZINC001275445251 782170950 /nfs/dbraw/zinc/17/09/50/782170950.db2.gz AXOVGARGMCNBKG-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001275434453 782171066 /nfs/dbraw/zinc/17/10/66/782171066.db2.gz VIMIOSLICZOVFW-NWDGAFQWSA-N 1 0 280.372 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccnn1 ZINC001275375841 782171716 /nfs/dbraw/zinc/17/17/16/782171716.db2.gz WFIRUESRAIOLJG-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001275434454 782171803 /nfs/dbraw/zinc/17/18/03/782171803.db2.gz VIMIOSLICZOVFW-RYUDHWBXSA-N 1 0 280.372 -1.124 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001275434451 782171808 /nfs/dbraw/zinc/17/18/08/782171808.db2.gz VIMIOSLICZOVFW-NEPJUHHUSA-N 1 0 280.372 -1.124 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001275445475 782171972 /nfs/dbraw/zinc/17/19/72/782171972.db2.gz GRNPURODEYPWNP-DTWKUNHWSA-N 1 0 261.347 -1.042 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001275477467 782172791 /nfs/dbraw/zinc/17/27/91/782172791.db2.gz ZRTVRWXUCHAUOL-WDEREUQCSA-N 1 0 295.339 -1.217 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001275570200 782174035 /nfs/dbraw/zinc/17/40/35/782174035.db2.gz DHICCIXAIRCMPR-NXEZZACHSA-N 1 0 292.343 -1.117 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001275507274 782174159 /nfs/dbraw/zinc/17/41/59/782174159.db2.gz YNOAMBCJHCDZGG-LLVKDONJSA-N 1 0 280.332 -1.241 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001275553798 782174651 /nfs/dbraw/zinc/17/46/51/782174651.db2.gz OSVOKRHVIQPERN-ZJUUUORDSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001275570708 782175328 /nfs/dbraw/zinc/17/53/28/782175328.db2.gz KPRRDCYPXCFADY-BDAKNGLRSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001275570711 782175341 /nfs/dbraw/zinc/17/53/41/782175341.db2.gz KPRRDCYPXCFADY-RKDXNWHRSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001275570709 782175478 /nfs/dbraw/zinc/17/54/78/782175478.db2.gz KPRRDCYPXCFADY-DTWKUNHWSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1[nH]nnc1C ZINC001275615344 782176380 /nfs/dbraw/zinc/17/63/80/782176380.db2.gz PWVYDJBMHWOYDE-SECBINFHSA-N 1 0 292.343 -1.087 20 30 CAEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001275827870 782180354 /nfs/dbraw/zinc/18/03/54/782180354.db2.gz ODEDLPJBGJTKKH-LLVKDONJSA-N 1 0 280.332 -1.241 20 30 CAEDRO COCC(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001275818955 782180498 /nfs/dbraw/zinc/18/04/98/782180498.db2.gz YQXXEBCTOFGNFD-UHFFFAOYSA-N 1 0 256.306 -1.289 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1COCCO1 ZINC001275883420 782182141 /nfs/dbraw/zinc/18/21/41/782182141.db2.gz HLLIZSNSYLUHQU-LLVKDONJSA-N 1 0 298.343 -1.520 20 30 CAEDRO C=CCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)C(N)=O ZINC001275920611 782182358 /nfs/dbraw/zinc/18/23/58/782182358.db2.gz MDPAEJOSCUZWAS-QMMMGPOBSA-N 1 0 299.331 -2.080 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1COCCO1 ZINC001275883421 782183121 /nfs/dbraw/zinc/18/31/21/782183121.db2.gz HLLIZSNSYLUHQU-NSHDSACASA-N 1 0 298.343 -1.520 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1cnnn1C ZINC001275980590 782185703 /nfs/dbraw/zinc/18/57/03/782185703.db2.gz QKQXAPDSDMHPGY-UHFFFAOYSA-N 1 0 292.343 -1.384 20 30 CAEDRO C#CC1(O)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000890522831 582108886 /nfs/dbraw/zinc/10/88/86/582108886.db2.gz LYOAGWJGXBATRE-LLVKDONJSA-N 1 0 279.340 -1.397 20 30 CAEDRO C#CC1(O)CN(C(=O)CN2CC[NH+](CC)CC2)C1 ZINC000890523918 582108899 /nfs/dbraw/zinc/10/88/99/582108899.db2.gz UGEUYYLMKHFOIV-UHFFFAOYSA-N 1 0 251.330 -1.170 20 30 CAEDRO CC(C)NS(=O)(=O)NCCNC1=[NH+]C[C@H](C)N1 ZINC000849022474 582111307 /nfs/dbraw/zinc/11/13/07/582111307.db2.gz CQZXOIMIKSPQBU-QMMMGPOBSA-N 1 0 263.367 -1.244 20 30 CAEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC(=O)NCC#N)[C@H]2C1 ZINC000894817515 582114344 /nfs/dbraw/zinc/11/43/44/582114344.db2.gz RQDUWENLJDMXPO-ZJUUUORDSA-N 1 0 265.317 -1.028 20 30 CAEDRO CCNC(NC[C@@H](O)CS(C)(=O)=O)=[NH+]CC ZINC000899261952 582120843 /nfs/dbraw/zinc/12/08/43/582120843.db2.gz DMNAEFBHXOZQLA-MRVPVSSYSA-N 1 0 251.352 -1.033 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000730281427 582123809 /nfs/dbraw/zinc/12/38/09/582123809.db2.gz KFMZMTWNACTYJV-WDEREUQCSA-N 1 0 265.313 -1.203 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCNCC1=O ZINC000834485380 582124156 /nfs/dbraw/zinc/12/41/56/582124156.db2.gz VVDSWXNWAUMLNW-BDAKNGLRSA-N 1 0 251.290 -2.354 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000748812324 582142708 /nfs/dbraw/zinc/14/27/08/582142708.db2.gz CISPACQFEFQUDZ-KBPBESRZSA-N 1 0 276.384 -1.085 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000750612019 582142980 /nfs/dbraw/zinc/14/29/80/582142980.db2.gz PQJATURDEYWKMQ-LBPRGKRZSA-N 1 0 280.372 -1.170 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN(CC(N)=O)CC1 ZINC000764612346 582149251 /nfs/dbraw/zinc/14/92/51/582149251.db2.gz UTHYMWLKLGPIHF-UHFFFAOYSA-N 1 0 254.334 -1.266 20 30 CAEDRO COC(=O)CC[NH+]1CCC(N=NC2=NC(=O)C(=O)N2)CC1 ZINC000788722509 582162145 /nfs/dbraw/zinc/16/21/45/582162145.db2.gz WBNTWGUOKRZYIV-UHFFFAOYSA-N 1 0 295.299 -1.397 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000791349251 582163239 /nfs/dbraw/zinc/16/32/39/582163239.db2.gz ODAWAYLWPXKFJS-UHFFFAOYSA-N 1 0 289.401 -1.049 20 30 CAEDRO C#CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000806054707 582164995 /nfs/dbraw/zinc/16/49/95/582164995.db2.gz DSKPLAPKXZKMKJ-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000806054706 582165043 /nfs/dbraw/zinc/16/50/43/582165043.db2.gz DSKPLAPKXZKMKJ-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO CN(C)S(=O)(=O)n1ccnc1C=NNC(N)=[NH2+] ZINC000814796672 582172939 /nfs/dbraw/zinc/17/29/39/582172939.db2.gz KZPSUJPYCCNUMX-UHFFFAOYSA-N 1 0 259.295 -1.645 20 30 CAEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000819221864 582177261 /nfs/dbraw/zinc/17/72/61/582177261.db2.gz IZVBHXIQPIWQIC-GFCCVEGCSA-N 1 0 292.401 -1.130 20 30 CAEDRO O=C1N=C(N=NC2CC[NH+](CCO)CC2)NC1=O ZINC000819811985 582178070 /nfs/dbraw/zinc/17/80/70/582178070.db2.gz GWPBAPCTVYBWKB-UHFFFAOYSA-N 1 0 253.262 -1.968 20 30 CAEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC000820128107 582179059 /nfs/dbraw/zinc/17/90/59/582179059.db2.gz UJBRNPYQFDVEPE-BXKDBHETSA-N 1 0 271.317 -1.061 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000826137933 582190129 /nfs/dbraw/zinc/19/01/29/582190129.db2.gz XPZOSGAIZSFXMD-CQSZACIVSA-N 1 0 297.355 -1.152 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000834480788 582210316 /nfs/dbraw/zinc/21/03/16/582210316.db2.gz WCZNILOHJYKRFY-KKZNHRDASA-N 1 0 288.311 -1.010 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000834480787 582210402 /nfs/dbraw/zinc/21/04/02/582210402.db2.gz WCZNILOHJYKRFY-IQJOONFLSA-N 1 0 288.311 -1.010 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCC(=O)N1CCOCC1 ZINC000834494589 582210510 /nfs/dbraw/zinc/21/05/10/582210510.db2.gz OKGIRLSFMLHIFS-GHMZBOCLSA-N 1 0 280.328 -1.147 20 30 CAEDRO COCC(=O)N(C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834485658 582210522 /nfs/dbraw/zinc/21/05/22/582210522.db2.gz ZWXZTWKCPJFONB-DTWKUNHWSA-N 1 0 254.290 -1.681 20 30 CAEDRO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834498866 582210565 /nfs/dbraw/zinc/21/05/65/582210565.db2.gz CLZYPLHJNNMGFZ-GHMZBOCLSA-N 1 0 281.360 -1.329 20 30 CAEDRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499971 582210573 /nfs/dbraw/zinc/21/05/73/582210573.db2.gz PIYJTEIAPPFYFN-LPEHRKFASA-N 1 0 286.357 -1.362 20 30 CAEDRO COCC(=O)N(C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834485659 582210598 /nfs/dbraw/zinc/21/05/98/582210598.db2.gz ZWXZTWKCPJFONB-IUCAKERBSA-N 1 0 254.290 -1.681 20 30 CAEDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834498697 582210617 /nfs/dbraw/zinc/21/06/17/582210617.db2.gz BNRINHOZDKFAJB-JGVFFNPUSA-N 1 0 274.346 -1.458 20 30 CAEDRO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834498869 582210625 /nfs/dbraw/zinc/21/06/25/582210625.db2.gz CLZYPLHJNNMGFZ-WDEREUQCSA-N 1 0 281.360 -1.329 20 30 CAEDRO COCC(=O)N(C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834485657 582210629 /nfs/dbraw/zinc/21/06/29/582210629.db2.gz ZWXZTWKCPJFONB-BDAKNGLRSA-N 1 0 254.290 -1.681 20 30 CAEDRO CCN1CCO[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000834499944 582210633 /nfs/dbraw/zinc/21/06/33/582210633.db2.gz OVIMMZBPUKHHEC-VWYCJHECSA-N 1 0 252.318 -1.065 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CSCC1=O ZINC000834505765 582210744 /nfs/dbraw/zinc/21/07/44/582210744.db2.gz NRQSAVGUYKRISY-HTQZYQBOSA-N 1 0 254.315 -1.253 20 30 CAEDRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1=O ZINC000834516939 582210754 /nfs/dbraw/zinc/21/07/54/582210754.db2.gz NWYKDUKMQQXPGO-IUCAKERBSA-N 1 0 277.284 -2.225 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CSCC1=O ZINC000834505767 582210783 /nfs/dbraw/zinc/21/07/83/582210783.db2.gz NRQSAVGUYKRISY-SFYZADRCSA-N 1 0 254.315 -1.253 20 30 CAEDRO COCCN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000834500318 582210801 /nfs/dbraw/zinc/21/08/01/582210801.db2.gz RYTDAIXAZWSCRJ-OUAUKWLOSA-N 1 0 280.328 -1.291 20 30 CAEDRO Cn1c(=O)ccn(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1=O ZINC000834516937 582210866 /nfs/dbraw/zinc/21/08/66/582210866.db2.gz NWYKDUKMQQXPGO-BDAKNGLRSA-N 1 0 277.284 -2.225 20 30 CAEDRO C#C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000841880938 582212304 /nfs/dbraw/zinc/21/23/04/582212304.db2.gz KOMILGDPGAIZBR-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000841880939 582212349 /nfs/dbraw/zinc/21/23/49/582212349.db2.gz KOMILGDPGAIZBR-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000843110231 582213635 /nfs/dbraw/zinc/21/36/35/582213635.db2.gz KYROXHAOPFZCPO-DGCLKSJQSA-N 1 0 293.323 -1.006 20 30 CAEDRO CNC(=O)[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000843110233 582213661 /nfs/dbraw/zinc/21/36/61/582213661.db2.gz KYROXHAOPFZCPO-WCQYABFASA-N 1 0 293.323 -1.006 20 30 CAEDRO CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843460964 582214419 /nfs/dbraw/zinc/21/44/19/582214419.db2.gz ROZBVZCQRHWUSQ-IUCAKERBSA-N 1 0 274.346 -1.504 20 30 CAEDRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843460637 582214502 /nfs/dbraw/zinc/21/45/02/582214502.db2.gz PNQCIFJNESIUGN-NXEZZACHSA-N 1 0 288.373 -1.066 20 30 CAEDRO CCCCS(=O)(=O)NCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843460638 582214522 /nfs/dbraw/zinc/21/45/22/582214522.db2.gz PNQCIFJNESIUGN-UWVGGRQHSA-N 1 0 288.373 -1.066 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1nc2n(n1)CCCN2 ZINC000843462055 582214662 /nfs/dbraw/zinc/21/46/62/582214662.db2.gz ZFRJARYAZLCLOB-SFYZADRCSA-N 1 0 261.289 -1.807 20 30 CAEDRO C#C[C@@H](CO)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867340921 582215731 /nfs/dbraw/zinc/21/57/31/582215731.db2.gz GCPFFCPCRXZQDG-LBPRGKRZSA-N 1 0 289.401 -1.463 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844378806 582216670 /nfs/dbraw/zinc/21/66/70/582216670.db2.gz MMAQXWZAKJGFNJ-GFCCVEGCSA-N 1 0 280.372 -1.170 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000846079297 582220971 /nfs/dbraw/zinc/22/09/71/582220971.db2.gz GLBPVXQUFGDHAN-UHFFFAOYSA-N 1 0 290.389 -1.287 20 30 CAEDRO C=C(CO)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846361508 582221510 /nfs/dbraw/zinc/22/15/10/582221510.db2.gz FFTHBOMSXYKYFV-UHFFFAOYSA-N 1 0 255.318 -1.233 20 30 CAEDRO CON=CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846362359 582221528 /nfs/dbraw/zinc/22/15/28/582221528.db2.gz IJAMJHWQEZIQSM-UHFFFAOYSA-N 1 0 256.306 -1.149 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846356850 582221572 /nfs/dbraw/zinc/22/15/72/582221572.db2.gz LWDSYSBHXQSLDP-GHMZBOCLSA-N 1 0 267.329 -1.100 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000846678105 582223030 /nfs/dbraw/zinc/22/30/30/582223030.db2.gz QXMQQQRMDVABGR-VHSXEESVSA-N 1 0 290.327 -1.391 20 30 CAEDRO C[NH+]=C(NCCS(=O)(=O)N1CCOCC1)NC1CC1 ZINC000849000818 582227154 /nfs/dbraw/zinc/22/71/54/582227154.db2.gz UHQBGFHOKCZCKT-UHFFFAOYSA-N 1 0 290.389 -1.024 20 30 CAEDRO C[NH+]=C(NCCNC(C)=O)NCCN1CCOCC1 ZINC000848981314 582227175 /nfs/dbraw/zinc/22/71/75/582227175.db2.gz YHOKZFLGFVYXMR-UHFFFAOYSA-N 1 0 271.365 -1.380 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCC(=O)N(C)OC ZINC000849043421 582227350 /nfs/dbraw/zinc/22/73/50/582227350.db2.gz CFMNTDGLDKARJJ-UHFFFAOYSA-N 1 0 287.364 -1.497 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000851684243 582229006 /nfs/dbraw/zinc/22/90/06/582229006.db2.gz CUOHPPCCOGKIDH-DCAQKATOSA-N 1 0 265.313 -1.239 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC000852875121 582231886 /nfs/dbraw/zinc/23/18/86/582231886.db2.gz FDKHEAGDZHGDAY-RKDXNWHRSA-N 1 0 257.257 -1.034 20 30 CAEDRO CCOC(=O)CN(CC(N)=O)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883036 582231932 /nfs/dbraw/zinc/23/19/32/582231932.db2.gz DYEXVRCUVKWAIJ-UHFFFAOYSA-N 1 0 295.339 -1.134 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854544219 582234714 /nfs/dbraw/zinc/23/47/14/582234714.db2.gz MKHNUNFKXWWAKE-NEPJUHHUSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854770693 582236248 /nfs/dbraw/zinc/23/62/48/582236248.db2.gz MCRWUPFSWKXOHA-GHMZBOCLSA-N 1 0 267.329 -1.493 20 30 CAEDRO C#CCOCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000859957447 582242049 /nfs/dbraw/zinc/24/20/49/582242049.db2.gz DMKWYXWPNYOLRX-UHFFFAOYSA-N 1 0 261.347 -1.106 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860159625 582242434 /nfs/dbraw/zinc/24/24/34/582242434.db2.gz FAIGMOLJSGBANG-CHWSQXEVSA-N 1 0 291.351 -1.131 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861616234 582244174 /nfs/dbraw/zinc/24/41/74/582244174.db2.gz BWXHFDZIAQFRIL-JTQLQIEISA-N 1 0 291.373 -1.125 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@H]1CCCO1 ZINC000861752688 582244856 /nfs/dbraw/zinc/24/48/56/582244856.db2.gz LQNGODLGUIAEBB-VXGBXAGGSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@H]1CCCO1 ZINC000861752962 582244885 /nfs/dbraw/zinc/24/48/85/582244885.db2.gz QVPPSYSAYRQISX-VXGBXAGGSA-N 1 0 297.355 -1.235 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])[C@@H]1CCCO1 ZINC000861752685 582244898 /nfs/dbraw/zinc/24/48/98/582244898.db2.gz LQNGODLGUIAEBB-NEPJUHHUSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000861752242 582244899 /nfs/dbraw/zinc/24/48/99/582244899.db2.gz CUOHPPCCOGKIDH-OUAUKWLOSA-N 1 0 265.313 -1.239 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000862839944 582247723 /nfs/dbraw/zinc/24/77/23/582247723.db2.gz PRSOLFNKOFSYRE-UHFFFAOYSA-N 1 0 261.347 -1.136 20 30 CAEDRO CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000863563808 582249150 /nfs/dbraw/zinc/24/91/50/582249150.db2.gz RMLXUFWFNANKNA-RYUDHWBXSA-N 1 0 293.323 -1.006 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000863586488 582249417 /nfs/dbraw/zinc/24/94/17/582249417.db2.gz BKGQFMBJBKMLPT-UHFFFAOYSA-N 1 0 288.373 -1.794 20 30 CAEDRO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000864351794 582252302 /nfs/dbraw/zinc/25/23/02/582252302.db2.gz PAAWKYGMQRFVTO-AEJSXWLSSA-N 1 0 289.291 -1.706 20 30 CAEDRO CNC(NC[C@]12COCCN1C(=O)COC2)=[NH+]C ZINC000864358015 582252490 /nfs/dbraw/zinc/25/24/90/582252490.db2.gz DWLKXGQJXYKJBF-LLVKDONJSA-N 1 0 256.306 -1.591 20 30 CAEDRO C=C[C@@H](O)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868389209 582256148 /nfs/dbraw/zinc/25/61/48/582256148.db2.gz YDQNTWLQVQJLPX-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000868391971 582256433 /nfs/dbraw/zinc/25/64/33/582256433.db2.gz ZFLAMKDLIDSDML-UHFFFAOYSA-N 1 0 281.360 -1.278 20 30 CAEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000868396574 582256434 /nfs/dbraw/zinc/25/64/34/582256434.db2.gz MKHRMEJUEKBYHK-LLVKDONJSA-N 1 0 281.360 -1.150 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000874342950 582260076 /nfs/dbraw/zinc/26/00/76/582260076.db2.gz PQJATURDEYWKMQ-GFCCVEGCSA-N 1 0 280.372 -1.170 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876715261 582263053 /nfs/dbraw/zinc/26/30/53/582263053.db2.gz IWDBGKOSLMKWBM-LBPRGKRZSA-N 1 0 297.403 -1.678 20 30 CAEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)N1CCNCC1=O ZINC000876802531 582263285 /nfs/dbraw/zinc/26/32/85/582263285.db2.gz QAEPROOWKGBRFB-BBBLOLIVSA-N 1 0 265.317 -1.966 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000878982900 582266992 /nfs/dbraw/zinc/26/69/92/582266992.db2.gz GUEDQLTZUROORQ-UKRRQHHQSA-N 1 0 295.383 -1.419 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH2+][C@@](C)(CO)COC)CC1 ZINC000879163349 582267159 /nfs/dbraw/zinc/26/71/59/582267159.db2.gz GKRIHSAJPAYLSI-AWEZNQCLSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535371 582267588 /nfs/dbraw/zinc/26/75/88/582267588.db2.gz LPJICLCXWGOTFO-AOOOYVTPSA-N 1 0 263.297 -1.328 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000880417571 582269439 /nfs/dbraw/zinc/26/94/39/582269439.db2.gz PRUPCQWUMYLSCQ-JSGCOSHPSA-N 1 0 263.341 -1.170 20 30 CAEDRO C=CCOC(=O)[C@@H](N)CC(=O)NCCCN1CC[NH2+]CC1 ZINC000884005602 582272794 /nfs/dbraw/zinc/27/27/94/582272794.db2.gz NRBXPQXTTIWEHP-LBPRGKRZSA-N 1 0 298.387 -1.156 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCCO1 ZINC000884553185 582275256 /nfs/dbraw/zinc/27/52/56/582275256.db2.gz QUJZPXRCYCEINW-BJDJZHNGSA-N 1 0 277.324 -1.144 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCCO1 ZINC000884553187 582275329 /nfs/dbraw/zinc/27/53/29/582275329.db2.gz QUJZPXRCYCEINW-NNYUYHANSA-N 1 0 277.324 -1.144 20 30 CAEDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000884675552 582275922 /nfs/dbraw/zinc/27/59/22/582275922.db2.gz HLLQMTUKZKQESJ-UHFFFAOYSA-N 1 0 281.360 -1.230 20 30 CAEDRO C[NH2+]CCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000884686763 582276097 /nfs/dbraw/zinc/27/60/97/582276097.db2.gz VTMZBMQXPQUPAY-UHFFFAOYSA-N 1 0 267.333 -1.620 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886185130 582278440 /nfs/dbraw/zinc/27/84/40/582278440.db2.gz QVJRGTRSRYCOBT-JTQLQIEISA-N 1 0 288.373 -1.535 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000967976739 617291667 /nfs/dbraw/zinc/29/16/67/617291667.db2.gz XSCCJSNWNBCXQJ-VHSXEESVSA-N 1 0 293.327 -1.112 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000970244137 612960246 /nfs/dbraw/zinc/96/02/46/612960246.db2.gz PRXBGYGRDPDULJ-OPASDULOSA-N 1 0 290.323 -1.202 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969565436 612960739 /nfs/dbraw/zinc/96/07/39/612960739.db2.gz GCTFJQUQGICWLR-LLVKDONJSA-N 1 0 264.329 -1.758 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000968930446 612960865 /nfs/dbraw/zinc/96/08/65/612960865.db2.gz YPLHLFKDGJBXAC-LLVKDONJSA-N 1 0 265.313 -1.331 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000970674566 612960972 /nfs/dbraw/zinc/96/09/72/612960972.db2.gz YCARBBJWLPJBQF-SNVBAGLBSA-N 1 0 263.297 -1.041 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000969232529 612961862 /nfs/dbraw/zinc/96/18/62/612961862.db2.gz UVIHHBIRXICUMC-SNVBAGLBSA-N 1 0 276.296 -1.227 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000939530992 612968913 /nfs/dbraw/zinc/96/89/13/612968913.db2.gz SZNCERVVZSDKRG-GHMZBOCLSA-N 1 0 292.339 -1.050 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000939486644 612968989 /nfs/dbraw/zinc/96/89/89/612968989.db2.gz XNXNNHPIVILXRZ-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC000939642993 612969151 /nfs/dbraw/zinc/96/91/51/612969151.db2.gz OFNYSGDXPLYAOY-ZYHUDNBSSA-N 1 0 291.355 -1.040 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC000939691484 612974927 /nfs/dbraw/zinc/97/49/27/612974927.db2.gz DXNKGVIPPSWPCP-UWVGGRQHSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015823 613033512 /nfs/dbraw/zinc/03/35/12/613033512.db2.gz QDSKMCYEHNNKBG-GXTWGEPZSA-N 1 0 293.367 -1.103 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958205580 613034080 /nfs/dbraw/zinc/03/40/80/613034080.db2.gz BAEBMIBFIOMXBD-GXSJLCMTSA-N 1 0 263.301 -1.150 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958482342 613034261 /nfs/dbraw/zinc/03/42/61/613034261.db2.gz ZLZWJMXCNVGWFK-CMPLNLGQSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958329346 613034912 /nfs/dbraw/zinc/03/49/12/613034912.db2.gz XIKYIXRJBUTYFQ-NXEZZACHSA-N 1 0 278.316 -1.744 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015824 613035956 /nfs/dbraw/zinc/03/59/56/613035956.db2.gz QDSKMCYEHNNKBG-JSGCOSHPSA-N 1 0 293.367 -1.103 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035919 613036488 /nfs/dbraw/zinc/03/64/88/613036488.db2.gz KWXQBTKRETUVQU-JQWIXIFHSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026049 613037148 /nfs/dbraw/zinc/03/71/48/613037148.db2.gz XWGBXIKGTXBQAE-QWRGUYRKSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958354082 613039491 /nfs/dbraw/zinc/03/94/91/613039491.db2.gz FZDRMXLGLDEOHF-PWSUYJOCSA-N 1 0 290.323 -1.184 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035920 613039770 /nfs/dbraw/zinc/03/97/70/613039770.db2.gz KWXQBTKRETUVQU-PWSUYJOCSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962484299 613042709 /nfs/dbraw/zinc/04/27/09/613042709.db2.gz ONQKCFLXRAIMMO-IWIIMEHWSA-N 1 0 290.323 -1.392 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962069157 613042894 /nfs/dbraw/zinc/04/28/94/613042894.db2.gz UTLQVGRMXGLHCF-IWIIMEHWSA-N 1 0 290.323 -1.392 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958182427 613043784 /nfs/dbraw/zinc/04/37/84/613043784.db2.gz ZZOLKVOAKREIKJ-IAZYJMLFSA-N 1 0 260.301 -1.257 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000972442382 613082541 /nfs/dbraw/zinc/08/25/41/613082541.db2.gz ZBCAHHLMXXWRBZ-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000980427315 613084152 /nfs/dbraw/zinc/08/41/52/613084152.db2.gz KYSLTUNBOUDZAO-GHMZBOCLSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000971704278 613090269 /nfs/dbraw/zinc/09/02/69/613090269.db2.gz RBDIMXTWAZZIQN-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000980427317 613091866 /nfs/dbraw/zinc/09/18/66/613091866.db2.gz KYSLTUNBOUDZAO-QWRGUYRKSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206924 613092720 /nfs/dbraw/zinc/09/27/20/613092720.db2.gz LHZUGNXEVUBWRY-VHSXEESVSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 ZINC000942560576 613225581 /nfs/dbraw/zinc/22/55/81/613225581.db2.gz SDMNQNDIEOQCTI-QWHCGFSZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967717408 613246678 /nfs/dbraw/zinc/24/66/78/613246678.db2.gz ATBDAZVXMDBSIF-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977342565 613280283 /nfs/dbraw/zinc/28/02/83/613280283.db2.gz TVQXEIUCTDGFNA-SNVBAGLBSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958350869 613285584 /nfs/dbraw/zinc/28/55/84/613285584.db2.gz VJIHZAICNMFARZ-GXSJLCMTSA-N 1 0 276.296 -1.574 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958649519 613286350 /nfs/dbraw/zinc/28/63/50/613286350.db2.gz OMCQQFXEJBEAFY-CMPLNLGQSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC000958547066 613287107 /nfs/dbraw/zinc/28/71/07/613287107.db2.gz FZMUTXPIQALYPF-CMPLNLGQSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958512157 613287250 /nfs/dbraw/zinc/28/72/50/613287250.db2.gz MJNRIYUIKAMTNV-WCBMZHEXSA-N 1 0 250.258 -1.275 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958031762 613287261 /nfs/dbraw/zinc/28/72/61/613287261.db2.gz WHCIMLRVMHPKJP-GXSJLCMTSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957941036 613287694 /nfs/dbraw/zinc/28/76/94/613287694.db2.gz ZGIQLUAPXWVTCW-VHSXEESVSA-N 1 0 275.312 -1.286 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958020155 613287874 /nfs/dbraw/zinc/28/78/74/613287874.db2.gz KQIYQHNNWZNATG-VHSXEESVSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC000958014735 613288295 /nfs/dbraw/zinc/28/82/95/613288295.db2.gz IRACONRMPIRUCL-DGCLKSJQSA-N 1 0 279.340 -1.493 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC000958673894 613288637 /nfs/dbraw/zinc/28/86/37/613288637.db2.gz YGABIYPATYOHLV-ZYHUDNBSSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC000958145861 613289107 /nfs/dbraw/zinc/28/91/07/613289107.db2.gz UAIPPVSUHOJCGA-ZYHUDNBSSA-N 1 0 290.323 -1.069 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958031764 613290017 /nfs/dbraw/zinc/29/00/17/613290017.db2.gz WHCIMLRVMHPKJP-MWLCHTKSSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC000958512152 613290029 /nfs/dbraw/zinc/29/00/29/613290029.db2.gz MJNRIYUIKAMTNV-PSASIEDQSA-N 1 0 250.258 -1.275 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000958167034 613290092 /nfs/dbraw/zinc/29/00/92/613290092.db2.gz FTKPIAWXQUEREJ-MWLCHTKSSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958475141 613290180 /nfs/dbraw/zinc/29/01/80/613290180.db2.gz AAERLLXVZZJIOI-MWLCHTKSSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC000958377801 613290284 /nfs/dbraw/zinc/29/02/84/613290284.db2.gz FBUDEGMTEJCFID-MWLCHTKSSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cnnn2CC)[C@H](O)C1 ZINC000958020692 613290319 /nfs/dbraw/zinc/29/03/19/613290319.db2.gz SHKZCKNPJWXTAC-ZYHUDNBSSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC000957953796 613290710 /nfs/dbraw/zinc/29/07/10/613290710.db2.gz RMEMJYDGCHKXGH-GHMZBOCLSA-N 1 0 277.328 -1.221 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC000958303228 613294137 /nfs/dbraw/zinc/29/41/37/613294137.db2.gz CCNJAFYQLILRSP-UWVGGRQHSA-N 1 0 263.301 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958020954 613294477 /nfs/dbraw/zinc/29/44/77/613294477.db2.gz XCCAIPUBQFNACN-UWVGGRQHSA-N 1 0 279.296 -1.366 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958649521 613294772 /nfs/dbraw/zinc/29/47/72/613294772.db2.gz OMCQQFXEJBEAFY-JQWIXIFHSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958736084 613295703 /nfs/dbraw/zinc/29/57/03/613295703.db2.gz IVIIZKCNLBCYRL-JQWIXIFHSA-N 1 0 292.339 -1.621 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167035 613295769 /nfs/dbraw/zinc/29/57/69/613295769.db2.gz FTKPIAWXQUEREJ-ONGXEEELSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958512159 613296208 /nfs/dbraw/zinc/29/62/08/613296208.db2.gz MJNRIYUIKAMTNV-WPRPVWTQSA-N 1 0 250.258 -1.275 20 30 CAEDRO C#CC[N@@H+]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977342563 613297452 /nfs/dbraw/zinc/29/74/52/613297452.db2.gz TVQXEIUCTDGFNA-JTQLQIEISA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958673893 613302153 /nfs/dbraw/zinc/30/21/53/613302153.db2.gz YGABIYPATYOHLV-PWSUYJOCSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958318634 613302184 /nfs/dbraw/zinc/30/21/84/613302184.db2.gz FNYSWHXDANBUHA-BNDIWNMDSA-N 1 0 264.325 -1.079 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958525817 613302318 /nfs/dbraw/zinc/30/23/18/613302318.db2.gz KFSAARGXSGEQFJ-PWSUYJOCSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958271370 613303294 /nfs/dbraw/zinc/30/32/94/613303294.db2.gz CDFSCPNPUVMTGS-PWSUYJOCSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958736085 613303446 /nfs/dbraw/zinc/30/34/46/613303446.db2.gz IVIIZKCNLBCYRL-PWSUYJOCSA-N 1 0 292.339 -1.621 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC)nn2)C1 ZINC000958547068 613304197 /nfs/dbraw/zinc/30/41/97/613304197.db2.gz FZMUTXPIQALYPF-PWSUYJOCSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167033 613304247 /nfs/dbraw/zinc/30/42/47/613304247.db2.gz FTKPIAWXQUEREJ-KOLCDFICSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000958000199 613304328 /nfs/dbraw/zinc/30/43/28/613304328.db2.gz VFSIVZNOWRGWLF-KOLCDFICSA-N 1 0 277.328 -1.342 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 ZINC000957941037 613304585 /nfs/dbraw/zinc/30/45/85/613304585.db2.gz ZGIQLUAPXWVTCW-ZJUUUORDSA-N 1 0 275.312 -1.286 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000979082095 613309338 /nfs/dbraw/zinc/30/93/38/613309338.db2.gz ZKOKVIJAGJLOPW-WISYIIOYSA-N 1 0 297.380 -1.395 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCS1(=O)=O ZINC000960185508 613313487 /nfs/dbraw/zinc/31/34/87/613313487.db2.gz QXHJWPMMWCIGQI-PJXYFTJBSA-N 1 0 297.380 -1.299 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962216911 613313565 /nfs/dbraw/zinc/31/35/65/613313565.db2.gz JUFORMJHYMUKRV-IWIIMEHWSA-N 1 0 290.323 -1.392 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962479727 613313808 /nfs/dbraw/zinc/31/38/08/613313808.db2.gz BGHFVDMBKLIAAR-GDGBQDQQSA-N 1 0 276.296 -1.782 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000963104945 613313828 /nfs/dbraw/zinc/31/38/28/613313828.db2.gz YCQOTZIFFSXELZ-DNJQJEMRSA-N 1 0 275.308 -1.281 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962494474 613313896 /nfs/dbraw/zinc/31/38/96/613313896.db2.gz GMHTYQUKUBTMEW-MSRIBSCDSA-N 1 0 275.308 -1.185 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960653954 613313919 /nfs/dbraw/zinc/31/39/19/613313919.db2.gz FIAZVTPZFNZKRJ-JYAVWHMHSA-N 1 0 290.367 -1.560 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000962436794 613315306 /nfs/dbraw/zinc/31/53/06/613315306.db2.gz KCICADIYBUCYID-RFQIPJPRSA-N 1 0 291.351 -1.087 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958470428 613316699 /nfs/dbraw/zinc/31/66/99/613316699.db2.gz UTMPFPOHSZHRBO-XQHKEYJVSA-N 1 0 263.341 -1.003 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000962436796 613317083 /nfs/dbraw/zinc/31/70/83/613317083.db2.gz KCICADIYBUCYID-RQJABVFESA-N 1 0 291.351 -1.087 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962772685 613320895 /nfs/dbraw/zinc/32/08/95/613320895.db2.gz JJTLXOHMRDXLKX-GDGBQDQQSA-N 1 0 288.311 -1.943 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316670 613339539 /nfs/dbraw/zinc/33/95/39/613339539.db2.gz MHYZIYVTUUZUMC-VHSXEESVSA-N 1 0 280.332 -1.191 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)nn1 ZINC000958471318 613428800 /nfs/dbraw/zinc/42/88/00/613428800.db2.gz INEAEWOZMGPUDF-PWSUYJOCSA-N 1 0 295.343 -1.521 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)nn1 ZINC000958471317 613429562 /nfs/dbraw/zinc/42/95/62/613429562.db2.gz INEAEWOZMGPUDF-JQWIXIFHSA-N 1 0 295.343 -1.521 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356705 613613212 /nfs/dbraw/zinc/61/32/12/613613212.db2.gz RJAMTBKVMIMGJA-CMPLNLGQSA-N 1 0 290.323 -1.184 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026326 613614216 /nfs/dbraw/zinc/61/42/16/613614216.db2.gz ZXMIDSIURKPSKE-WDEREUQCSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958035547 613619314 /nfs/dbraw/zinc/61/93/14/613619314.db2.gz HIVSNRNGTSUWQV-JQWIXIFHSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958035548 613625642 /nfs/dbraw/zinc/62/56/42/613625642.db2.gz HIVSNRNGTSUWQV-PWSUYJOCSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962054633 613632902 /nfs/dbraw/zinc/63/29/02/613632902.db2.gz ARYNZMGQSZCGIK-IWIIMEHWSA-N 1 0 290.323 -1.392 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962484876 613632951 /nfs/dbraw/zinc/63/29/51/613632951.db2.gz PNRNNSPXVSGABK-IWIIMEHWSA-N 1 0 290.323 -1.392 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960312073 613634376 /nfs/dbraw/zinc/63/43/76/613634376.db2.gz YZTABSHUORHJLY-JYAVWHMHSA-N 1 0 291.351 -1.085 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961478887 613634466 /nfs/dbraw/zinc/63/44/66/613634466.db2.gz KSRSWJWVPRIVKX-JYAVWHMHSA-N 1 0 290.367 -1.512 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959903365 613634996 /nfs/dbraw/zinc/63/49/96/613634996.db2.gz ULJCMURZAJCPOJ-IAZYJMLFSA-N 1 0 260.301 -1.257 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961500108 613642844 /nfs/dbraw/zinc/64/28/44/613642844.db2.gz USVLEYHUONSULY-MYJAWHEDSA-N 1 0 260.301 -1.107 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC000969784548 613763553 /nfs/dbraw/zinc/76/35/53/613763553.db2.gz VBDGJUKMSFJGNL-NXEZZACHSA-N 1 0 280.328 -1.551 20 30 CAEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1=O ZINC000961651415 613779048 /nfs/dbraw/zinc/77/90/48/613779048.db2.gz VETXMMRRFSYXHN-ZRUFSTJUSA-N 1 0 292.339 -1.695 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CC2CC(NC(=O)C(N)=O)C2)C1=O ZINC000962249849 613801599 /nfs/dbraw/zinc/80/15/99/613801599.db2.gz PMMLFDCKPHMLFN-ILDUYXDCSA-N 1 0 294.355 -1.257 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC000969784549 613802394 /nfs/dbraw/zinc/80/23/94/613802394.db2.gz VBDGJUKMSFJGNL-ZJUUUORDSA-N 1 0 280.328 -1.551 20 30 CAEDRO C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485958 613812505 /nfs/dbraw/zinc/81/25/05/613812505.db2.gz TUMLFXRNDCEBAY-WDEREUQCSA-N 1 0 295.339 -1.366 20 30 CAEDRO C=CC[N@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC000958149813 613816610 /nfs/dbraw/zinc/81/66/10/613816610.db2.gz WQVCVWBKBRDXCM-ZYHUDNBSSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC000958648690 613817075 /nfs/dbraw/zinc/81/70/75/613817075.db2.gz ACBMLYQPENMBKE-ZYHUDNBSSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316450 613825877 /nfs/dbraw/zinc/82/58/77/613825877.db2.gz IOYFYADSWMAPTM-IUCAKERBSA-N 1 0 266.305 -1.581 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149811 613830412 /nfs/dbraw/zinc/83/04/12/613830412.db2.gz WQVCVWBKBRDXCM-PWSUYJOCSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958350751 613830474 /nfs/dbraw/zinc/83/04/74/613830474.db2.gz UJJZJBXMDNVYQS-KOLCDFICSA-N 1 0 278.312 -1.022 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958736481 613831305 /nfs/dbraw/zinc/83/13/05/613831305.db2.gz OZBWLLUJKLHEMH-PWSUYJOCSA-N 1 0 294.355 -1.068 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962485716 613837958 /nfs/dbraw/zinc/83/79/58/613837958.db2.gz SZBGZYBYHHWVQR-GDGBQDQQSA-N 1 0 278.312 -1.229 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960652011 613838722 /nfs/dbraw/zinc/83/87/22/613838722.db2.gz WCZBGYYLIOLBGV-IAZYJMLFSA-N 1 0 277.328 -1.186 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962610205 613839254 /nfs/dbraw/zinc/83/92/54/613839254.db2.gz VDTBADMEVLEDHO-ZRUFSTJUSA-N 1 0 285.369 -1.090 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969566791 613863540 /nfs/dbraw/zinc/86/35/40/613863540.db2.gz OLFRYHWCXDSGQU-LLVKDONJSA-N 1 0 266.345 -1.205 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970665561 613863668 /nfs/dbraw/zinc/86/36/68/613863668.db2.gz VJDYQKTVMHXADE-SECBINFHSA-N 1 0 266.301 -1.085 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952140 613863757 /nfs/dbraw/zinc/86/37/57/613863757.db2.gz BJCOTGGTGKBSIE-BDAKNGLRSA-N 1 0 266.301 -1.039 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000968854273 613864294 /nfs/dbraw/zinc/86/42/94/613864294.db2.gz CJKNSLUTGWVQLU-LLVKDONJSA-N 1 0 292.339 -1.077 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001276203568 782189039 /nfs/dbraw/zinc/18/90/39/782189039.db2.gz TXJTYXVMHVKIGJ-JTQLQIEISA-N 1 0 297.359 -1.592 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1nnn(C)n1 ZINC001276180133 782189300 /nfs/dbraw/zinc/18/93/00/782189300.db2.gz SXMVIVMBDUHCBN-UHFFFAOYSA-N 1 0 294.319 -2.098 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001020668066 656006657 /nfs/dbraw/zinc/00/66/57/656006657.db2.gz BKAFHZHSOJEHLQ-KYZUINATSA-N 1 0 294.311 -1.170 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001020741624 656007316 /nfs/dbraw/zinc/00/73/16/656007316.db2.gz CIDNOSZJHKAULV-MGCOHNPYSA-N 1 0 263.297 -1.091 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001020919270 656009137 /nfs/dbraw/zinc/00/91/37/656009137.db2.gz VPWCOQRVZYZJRH-MGCOHNPYSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021091216 656012728 /nfs/dbraw/zinc/01/27/28/656012728.db2.gz SYCYLOUDHCUZEL-KYZUINATSA-N 1 0 276.300 -1.753 20 30 CAEDRO C#CCNC(=O)CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933097466 656022399 /nfs/dbraw/zinc/02/23/99/656022399.db2.gz VMGMQRWTNRXONA-SNVBAGLBSA-N 1 0 286.357 -2.040 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001022378216 656028251 /nfs/dbraw/zinc/02/82/51/656028251.db2.gz CKGFVURRJVONNU-AOOOYVTPSA-N 1 0 276.296 -1.181 20 30 CAEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926411733 656034481 /nfs/dbraw/zinc/03/44/81/656034481.db2.gz VYSQULVGRXYCEA-LLVKDONJSA-N 1 0 281.360 -1.374 20 30 CAEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926411735 656034718 /nfs/dbraw/zinc/03/47/18/656034718.db2.gz VYSQULVGRXYCEA-NSHDSACASA-N 1 0 281.360 -1.374 20 30 CAEDRO CCS(=O)(=O)NCCCNC(=[NH2+])NCCOC ZINC000161532175 656040330 /nfs/dbraw/zinc/04/03/30/656040330.db2.gz WZNSTRVLIQOXJO-UHFFFAOYSA-N 1 0 266.367 -1.134 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001022938722 656040367 /nfs/dbraw/zinc/04/03/67/656040367.db2.gz GMDKWWQYCYZLOT-AOOOYVTPSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001023064575 656041737 /nfs/dbraw/zinc/04/17/37/656041737.db2.gz MBPPVLYJGGWITP-AOOOYVTPSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023126373 656043307 /nfs/dbraw/zinc/04/33/07/656043307.db2.gz SYCYLOUDHCUZEL-DTORHVGOSA-N 1 0 276.300 -1.753 20 30 CAEDRO CNC(=[NH2+])NCCNS(=O)(=O)c1cccnc1 ZINC000157362481 656044578 /nfs/dbraw/zinc/04/45/78/656044578.db2.gz BHEPKPCXKGNODF-UHFFFAOYSA-N 1 0 257.319 -1.106 20 30 CAEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC#CCO ZINC000923779474 656054355 /nfs/dbraw/zinc/05/43/55/656054355.db2.gz ITXSFKKCHYABSG-LBPRGKRZSA-N 1 0 268.361 -1.083 20 30 CAEDRO C[NH+]1CCC(O)(CNC(=O)NCC#CCO)CC1 ZINC000923779967 656054676 /nfs/dbraw/zinc/05/46/76/656054676.db2.gz XUJIXLJKDYNHOC-UHFFFAOYSA-N 1 0 255.318 -1.262 20 30 CAEDRO O=C(NCC#CCO)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000923765200 656055370 /nfs/dbraw/zinc/05/53/70/656055370.db2.gz VHRIVLLDSUROTL-WDEREUQCSA-N 1 0 253.302 -1.558 20 30 CAEDRO COC(=O)[C@@H]1CN(C(=O)NCC#CCO)CC[N@H+](C)C1 ZINC000923767386 656068744 /nfs/dbraw/zinc/06/87/44/656068744.db2.gz HEDSDRIRCCDXEB-NSHDSACASA-N 1 0 283.328 -1.272 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820714 656068881 /nfs/dbraw/zinc/06/88/81/656068881.db2.gz VQPMNIBBVKCNJI-VIFPVBQESA-N 1 0 278.316 -1.247 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001027033848 656079026 /nfs/dbraw/zinc/07/90/26/656079026.db2.gz PMLDCVWFEWQVJS-MNOVXSKESA-N 1 0 294.355 -1.303 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001027033849 656079220 /nfs/dbraw/zinc/07/92/20/656079220.db2.gz PMLDCVWFEWQVJS-QWRGUYRKSA-N 1 0 294.355 -1.303 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001027033847 656079365 /nfs/dbraw/zinc/07/93/65/656079365.db2.gz PMLDCVWFEWQVJS-GHMZBOCLSA-N 1 0 294.355 -1.303 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326406 656113438 /nfs/dbraw/zinc/11/34/38/656113438.db2.gz SUHLIRNPCFDAMY-WDEREUQCSA-N 1 0 285.369 -1.108 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCO[C@@H](COC)C1 ZINC000262020375 656124303 /nfs/dbraw/zinc/12/43/03/656124303.db2.gz WDPQKKZTMLQADP-SNVBAGLBSA-N 1 0 272.349 -1.003 20 30 CAEDRO CN1CCN(C(=O)NCC#CCO)CC[N@H+](C)CC1 ZINC000896147005 656129064 /nfs/dbraw/zinc/12/90/64/656129064.db2.gz ZIJWNWXZYMHUJA-UHFFFAOYSA-N 1 0 268.361 -1.129 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1=O ZINC000984728615 656129108 /nfs/dbraw/zinc/12/91/08/656129108.db2.gz PMMLFDCKPHMLFN-DCAQKATOSA-N 1 0 294.355 -1.257 20 30 CAEDRO CCS(=O)(=O)NCCNC(=[NH2+])NCCOC ZINC000303262845 656132739 /nfs/dbraw/zinc/13/27/39/656132739.db2.gz QKSCNIFLHWRYSG-UHFFFAOYSA-N 1 0 252.340 -1.524 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000986288382 656136333 /nfs/dbraw/zinc/13/63/33/656136333.db2.gz BOHUGHGLXRLHKV-VHSXEESVSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000986450001 656136690 /nfs/dbraw/zinc/13/66/90/656136690.db2.gz ZYBHNSZLGCNYRJ-OLZOCXBDSA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000986449904 656136751 /nfs/dbraw/zinc/13/67/51/656136751.db2.gz ZLELPLJNDYBEAI-GHMZBOCLSA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000986449905 656136868 /nfs/dbraw/zinc/13/68/68/656136868.db2.gz ZLELPLJNDYBEAI-MNOVXSKESA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC000986668228 656137596 /nfs/dbraw/zinc/13/75/96/656137596.db2.gz GHOGFGYKTCRULZ-NEPJUHHUSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000988860309 656146561 /nfs/dbraw/zinc/14/65/61/656146561.db2.gz KNVVIXQWVMBDBQ-UWVGGRQHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000989066718 656147077 /nfs/dbraw/zinc/14/70/77/656147077.db2.gz CCESRYPYONQOLD-OLZOCXBDSA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000989066720 656147099 /nfs/dbraw/zinc/14/70/99/656147099.db2.gz CCESRYPYONQOLD-QWHCGFSZSA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 ZINC000989062315 656147304 /nfs/dbraw/zinc/14/73/04/656147304.db2.gz INYSJXRTQXSPTM-WDEREUQCSA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCNC(=O)C2)C1 ZINC000989297064 656148260 /nfs/dbraw/zinc/14/82/60/656148260.db2.gz YBARNRBITHQDII-RYUDHWBXSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000989565407 656150235 /nfs/dbraw/zinc/15/02/35/656150235.db2.gz GPIHZMYGVPDDET-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000989565409 656150334 /nfs/dbraw/zinc/15/03/34/656150334.db2.gz GPIHZMYGVPDDET-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC000989766187 656152172 /nfs/dbraw/zinc/15/21/72/656152172.db2.gz OINIOMUXLBKVDT-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC000989766189 656152187 /nfs/dbraw/zinc/15/21/87/656152187.db2.gz OINIOMUXLBKVDT-ZJUUUORDSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000989832846 656152843 /nfs/dbraw/zinc/15/28/43/656152843.db2.gz YWOIZSILKBBYPU-VHSXEESVSA-N 1 0 290.327 -1.411 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000990615651 656162751 /nfs/dbraw/zinc/16/27/51/656162751.db2.gz DTUAXPJHUFEGRX-MWLCHTKSSA-N 1 0 280.328 -1.196 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000990615647 656163242 /nfs/dbraw/zinc/16/32/42/656163242.db2.gz DTUAXPJHUFEGRX-GXSJLCMTSA-N 1 0 280.328 -1.196 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000905011921 656188570 /nfs/dbraw/zinc/18/85/70/656188570.db2.gz AFLRGBJRIWHRDW-SNVBAGLBSA-N 1 0 253.302 -1.475 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000904988489 656188947 /nfs/dbraw/zinc/18/89/47/656188947.db2.gz UMDPFQBCFIETHR-LLVKDONJSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CC[C@H](CO)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908310604 656212885 /nfs/dbraw/zinc/21/28/85/656212885.db2.gz NKLOGKYRNGXYJW-GFCCVEGCSA-N 1 0 253.346 -1.020 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CN1CCNC(=O)C1 ZINC000908437310 656214100 /nfs/dbraw/zinc/21/41/00/656214100.db2.gz NCTCIJZDIBUXOW-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000908436222 656214233 /nfs/dbraw/zinc/21/42/33/656214233.db2.gz FBFQSZZRVJJJST-UHFFFAOYSA-N 1 0 287.385 -1.051 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1CCCO1 ZINC000911145279 656234894 /nfs/dbraw/zinc/23/48/94/656234894.db2.gz DGANJWLYSJLYHY-UWVGGRQHSA-N 1 0 265.313 -1.109 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913055404 656271213 /nfs/dbraw/zinc/27/12/13/656271213.db2.gz ZCKJTUNVIBBUGQ-UHFFFAOYSA-N 1 0 276.362 -1.502 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913054823 656270631 /nfs/dbraw/zinc/27/06/31/656270631.db2.gz KOYDMUUFOHDSKP-UHFFFAOYSA-N 1 0 262.335 -1.892 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)NC[C@]1(CO)COCCN1 ZINC000913178303 656274624 /nfs/dbraw/zinc/27/46/24/656274624.db2.gz FBMIGIFIIGCTDI-ZDUSSCGKSA-N 1 0 271.361 -1.039 20 30 CAEDRO CC(=O)N1CC(OCC(=O)NCC#CC[NH+](C)C)C1 ZINC000913523918 656283550 /nfs/dbraw/zinc/28/35/50/656283550.db2.gz RLQLSVSAHLHYQN-UHFFFAOYSA-N 1 0 267.329 -1.085 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000913523690 656283583 /nfs/dbraw/zinc/28/35/83/656283583.db2.gz IXBWKVOMWASHOO-SECBINFHSA-N 1 0 259.331 -1.641 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC000913523646 656283617 /nfs/dbraw/zinc/28/36/17/656283617.db2.gz HIPRJAKDJUEVGK-UHFFFAOYSA-N 1 0 292.343 -1.140 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1CCCS1(=O)=O ZINC000913517207 656283631 /nfs/dbraw/zinc/28/36/31/656283631.db2.gz XHUPDASPUARKAV-UHFFFAOYSA-N 1 0 273.358 -1.297 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000913523691 656283701 /nfs/dbraw/zinc/28/37/01/656283701.db2.gz IXBWKVOMWASHOO-VIFPVBQESA-N 1 0 259.331 -1.641 20 30 CAEDRO CN1CC[C@H](C(=O)NCC#CC[NH+](C)C)S1(=O)=O ZINC000913523775 656283714 /nfs/dbraw/zinc/28/37/14/656283714.db2.gz LTEOONNYBAVYOF-SNVBAGLBSA-N 1 0 273.358 -1.299 20 30 CAEDRO CN1CCO[C@H](C(=O)NCC#CC[NH+](C)C)C1=O ZINC000913524297 656283728 /nfs/dbraw/zinc/28/37/28/656283728.db2.gz HGZCBHNGFUTWFK-SNVBAGLBSA-N 1 0 253.302 -1.475 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC1CN(CCO)C1 ZINC001030462971 656313171 /nfs/dbraw/zinc/31/31/71/656313171.db2.gz CCHLRAWTTOXTBX-LBPRGKRZSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H]2CCNC2=O)C1 ZINC001030464255 656313488 /nfs/dbraw/zinc/31/34/88/656313488.db2.gz MTIYRYYRDPNLIC-QWHCGFSZSA-N 1 0 290.367 -1.227 20 30 CAEDRO CN1CCN(C(=O)CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000170912693 656318096 /nfs/dbraw/zinc/31/80/96/656318096.db2.gz LZNNZUMWDVOBBF-UHFFFAOYSA-N 1 0 283.376 -1.203 20 30 CAEDRO C#CCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000923596377 656338557 /nfs/dbraw/zinc/33/85/57/656338557.db2.gz GJMXZKQDSBYACB-LBPRGKRZSA-N 1 0 278.356 -1.368 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N(CC(=O)NC)CC(=O)NC ZINC000913816969 656340377 /nfs/dbraw/zinc/34/03/77/656340377.db2.gz DLVGTLDWGUYJPD-UHFFFAOYSA-N 1 0 284.360 -1.185 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC2CN(CC(=O)NC)C2)CC1 ZINC001031435260 656370221 /nfs/dbraw/zinc/37/02/21/656370221.db2.gz WDAXIGVZQIVOSR-UHFFFAOYSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000917951632 656371126 /nfs/dbraw/zinc/37/11/26/656371126.db2.gz CEEFNQFPLLLHBK-VXGBXAGGSA-N 1 0 268.361 -1.084 20 30 CAEDRO C[NH+](C)[C@@H]1CN(C(=O)NCC#CCO)C[C@@H]1n1ccnn1 ZINC000923761616 656381491 /nfs/dbraw/zinc/38/14/91/656381491.db2.gz SIBUMFMFNZVYOL-NEPJUHHUSA-N 1 0 292.343 -1.230 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032192514 656469013 /nfs/dbraw/zinc/46/90/13/656469013.db2.gz JHUJIUDXAXRKQO-JTQLQIEISA-N 1 0 273.358 -1.088 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032193663 656469157 /nfs/dbraw/zinc/46/91/57/656469157.db2.gz FDHDTRXNVNSKOD-LLVKDONJSA-N 1 0 285.369 -1.251 20 30 CAEDRO COCCNC(=[NH2+])NCCC(=O)N1CCN(C)CC1 ZINC000195522567 656475519 /nfs/dbraw/zinc/47/55/19/656475519.db2.gz FQLMKVSHFZUCNH-UHFFFAOYSA-N 1 0 271.365 -1.299 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269350 656480636 /nfs/dbraw/zinc/48/06/36/656480636.db2.gz LZLXEAZUXRJCKK-QWRGUYRKSA-N 1 0 260.301 -1.019 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000996607356 656491980 /nfs/dbraw/zinc/49/19/80/656491980.db2.gz NCUCJMSRYHMVSM-UHFFFAOYSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000996740930 656494646 /nfs/dbraw/zinc/49/46/46/656494646.db2.gz PXEXGJBPNQHPCW-UHFFFAOYSA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C(N)=O)CC2)C1=O ZINC000996953505 656497807 /nfs/dbraw/zinc/49/78/07/656497807.db2.gz SWWBDVUSZZGGLD-LLVKDONJSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032405837 656501307 /nfs/dbraw/zinc/50/13/07/656501307.db2.gz FBOKVMKEXGRSLQ-QWRGUYRKSA-N 1 0 260.301 -1.019 20 30 CAEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032413174 656502363 /nfs/dbraw/zinc/50/23/63/656502363.db2.gz DESDDYJMJVDJSQ-UWVGGRQHSA-N 1 0 288.311 -1.705 20 30 CAEDRO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032413790 656503136 /nfs/dbraw/zinc/50/31/36/656503136.db2.gz QRFHQWXISCMDGG-UWVGGRQHSA-N 1 0 290.327 -1.152 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000997325289 656504033 /nfs/dbraw/zinc/50/40/33/656504033.db2.gz ZMTMBFXFNMYMBN-LLVKDONJSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001032452254 656506204 /nfs/dbraw/zinc/50/62/04/656506204.db2.gz PRUKFTIQKLESET-DCAQKATOSA-N 1 0 290.323 -1.107 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC000999227107 656568847 /nfs/dbraw/zinc/56/88/47/656568847.db2.gz BCFZGMOOTFDSSP-UHFFFAOYSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000999203121 656569034 /nfs/dbraw/zinc/56/90/34/656569034.db2.gz YLPPUQZJMVRHDD-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000999540675 656577100 /nfs/dbraw/zinc/57/71/00/656577100.db2.gz GYVRUZQRYLSKHN-LLVKDONJSA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001000473433 656606763 /nfs/dbraw/zinc/60/67/63/656606763.db2.gz CCXUBAWDMGSAFZ-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001000868771 656614191 /nfs/dbraw/zinc/61/41/91/656614191.db2.gz ZTRKYEWCQJQJNE-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001000991115 656615024 /nfs/dbraw/zinc/61/50/24/656615024.db2.gz GPCKMDPLTYPXBZ-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)CCOCCO ZINC000922112562 656641981 /nfs/dbraw/zinc/64/19/81/656641981.db2.gz GLBOPOJQSXPQCG-LBPRGKRZSA-N 1 0 260.334 -1.020 20 30 CAEDRO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C(N)=O)CC2)C1=O ZINC001003540307 656655764 /nfs/dbraw/zinc/65/57/64/656655764.db2.gz SDYMHHSQUBEKLR-NSHDSACASA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001003532921 656655915 /nfs/dbraw/zinc/65/59/15/656655915.db2.gz HFTFYPIAKAQJNB-JTQLQIEISA-N 1 0 250.302 -1.118 20 30 CAEDRO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C(N)=O)CC2)C1=O ZINC001003540305 656656962 /nfs/dbraw/zinc/65/69/62/656656962.db2.gz SDYMHHSQUBEKLR-LLVKDONJSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004167396 656679748 /nfs/dbraw/zinc/67/97/48/656679748.db2.gz PJEURUFQWKAASS-LLVKDONJSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097294 656685099 /nfs/dbraw/zinc/68/50/99/656685099.db2.gz WNUFVWXNDZKQDT-JTQLQIEISA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033158263 656690621 /nfs/dbraw/zinc/69/06/21/656690621.db2.gz XVGHWESVVUWNOK-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327592 656703978 /nfs/dbraw/zinc/70/39/78/656703978.db2.gz IUKURNJFLYYPSV-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327591 656704697 /nfs/dbraw/zinc/70/46/97/656704697.db2.gz IUKURNJFLYYPSV-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001033381315 656707713 /nfs/dbraw/zinc/70/77/13/656707713.db2.gz WCMGZJOGAOQMJK-ZJUUUORDSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671716 656726443 /nfs/dbraw/zinc/72/64/43/656726443.db2.gz PQRXODQBQDUXDT-WDEREUQCSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CCN1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033685472 656729877 /nfs/dbraw/zinc/72/98/77/656729877.db2.gz LSGXFLCVGBLPDO-SNVBAGLBSA-N 1 0 290.327 -1.457 20 30 CAEDRO C#CC[NH2+]CC(=O)NC(C(=O)OCC)C(=O)OCC ZINC000707326937 656790411 /nfs/dbraw/zinc/79/04/11/656790411.db2.gz DWUXSWGIAOYJKV-UHFFFAOYSA-N 1 0 270.285 -1.180 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC001036283978 656791098 /nfs/dbraw/zinc/79/10/98/656791098.db2.gz HCKJMOZNTCUZEK-WDEREUQCSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001036283976 656791323 /nfs/dbraw/zinc/79/13/23/656791323.db2.gz HCKJMOZNTCUZEK-MNOVXSKESA-N 1 0 292.339 -1.002 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710823132 656795930 /nfs/dbraw/zinc/79/59/30/656795930.db2.gz LFMGIPQGJVSLNJ-GFCCVEGCSA-N 1 0 271.317 -1.590 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCNCC[NH2+]CC1 ZINC000923466109 656805318 /nfs/dbraw/zinc/80/53/18/656805318.db2.gz JSNKCDALLAAJGF-UHFFFAOYSA-N 1 0 269.349 -1.507 20 30 CAEDRO N#C[C@@]12CN(C[C@@H]3C[NH2+]CCO3)C[C@H]1CS(=O)(=O)C2 ZINC000923550103 656805971 /nfs/dbraw/zinc/80/59/71/656805971.db2.gz UKPKZCZQPHCAFT-SRVKXCTJSA-N 1 0 285.369 -1.155 20 30 CAEDRO N#C[C@]12CN(CCOCC[NH3+])C[C@@H]1CS(=O)(=O)C2 ZINC000923549487 656806013 /nfs/dbraw/zinc/80/60/13/656806013.db2.gz JVATYXHGFQAEPO-GHMZBOCLSA-N 1 0 273.358 -1.168 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946918148 656807300 /nfs/dbraw/zinc/80/73/00/656807300.db2.gz DNIIRJSELPEMIF-MNOVXSKESA-N 1 0 294.355 -1.022 20 30 CAEDRO C[NH2+]C[C@@](C)(O)CN1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000923550636 656807326 /nfs/dbraw/zinc/80/73/26/656807326.db2.gz ZXOLPAAWECHLBS-IJLUTSLNSA-N 1 0 287.385 -1.173 20 30 CAEDRO C[NH2+]C[C@](C)(O)CN1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000923550635 656807496 /nfs/dbraw/zinc/80/74/96/656807496.db2.gz ZXOLPAAWECHLBS-GRYCIOLGSA-N 1 0 287.385 -1.173 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[N@H+]2C)C1=O ZINC000928561115 656826434 /nfs/dbraw/zinc/82/64/34/656826434.db2.gz CBZDAXCBFBTEDI-SECBINFHSA-N 1 0 294.311 -1.217 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000928650642 656827704 /nfs/dbraw/zinc/82/77/04/656827704.db2.gz FFHRGJISQUBBKB-JTQLQIEISA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000928653217 656828149 /nfs/dbraw/zinc/82/81/49/656828149.db2.gz DUMBGEKEFKXLDU-MGPQQGTHSA-N 1 0 294.351 -1.387 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933703673 656858740 /nfs/dbraw/zinc/85/87/40/656858740.db2.gz NBOGKOLGYQHDLK-MXWKQRLJSA-N 1 0 287.385 -1.019 20 30 CAEDRO C#CCNC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000048573963 656868229 /nfs/dbraw/zinc/86/82/29/656868229.db2.gz FSONWRLLPAYNAZ-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO COCCNC(=[NH2+])NCCC(=O)N1CCOCC1 ZINC000195522899 656895331 /nfs/dbraw/zinc/89/53/31/656895331.db2.gz DKXZDVRYNQKXFK-UHFFFAOYSA-N 1 0 258.322 -1.214 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H]2CN(CC(N)=O)C[C@H]2O)c1 ZINC000957957450 656936820 /nfs/dbraw/zinc/93/68/20/656936820.db2.gz NDSHNUWPJIHEJU-GXSJLCMTSA-N 1 0 291.311 -1.606 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2O)c1 ZINC000957957453 656937416 /nfs/dbraw/zinc/93/74/16/656937416.db2.gz NDSHNUWPJIHEJU-MWLCHTKSSA-N 1 0 291.311 -1.606 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)[nH]1 ZINC000957985953 656938113 /nfs/dbraw/zinc/93/81/13/656938113.db2.gz LGMQBXRJADJJJT-SKDRFNHKSA-N 1 0 278.312 -1.099 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)c[nH]1 ZINC000957979010 656938229 /nfs/dbraw/zinc/93/82/29/656938229.db2.gz KPZGPFWNRMHERX-JQWIXIFHSA-N 1 0 278.312 -1.099 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)[nH]1 ZINC000957985952 656939223 /nfs/dbraw/zinc/93/92/23/656939223.db2.gz LGMQBXRJADJJJT-JOYOIKCWSA-N 1 0 278.312 -1.099 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)[nH]1 ZINC000957985951 656939711 /nfs/dbraw/zinc/93/97/11/656939711.db2.gz LGMQBXRJADJJJT-CABZTGNLSA-N 1 0 278.312 -1.099 20 30 CAEDRO CCOCCCNC(=[NH2+])NCCNS(C)(=O)=O ZINC000303783004 656982581 /nfs/dbraw/zinc/98/25/81/656982581.db2.gz NSTQSCYVGSFLLD-UHFFFAOYSA-N 1 0 266.367 -1.134 20 30 CAEDRO COCCNC(=[NH2+])NCCCNS(C)(=O)=O ZINC000303260467 656975972 /nfs/dbraw/zinc/97/59/72/656975972.db2.gz NDCJMSNFCMHHFP-UHFFFAOYSA-N 1 0 252.340 -1.524 20 30 CAEDRO CNC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000303381778 656978272 /nfs/dbraw/zinc/97/82/72/656978272.db2.gz SABXGYSQSGVKIC-UHFFFAOYSA-N 1 0 250.324 -1.818 20 30 CAEDRO COCCNC(=[NH2+])NCCN1CCN(C(C)=O)CC1 ZINC000303385354 656978710 /nfs/dbraw/zinc/97/87/10/656978710.db2.gz VLVJDODUGKUDPU-UHFFFAOYSA-N 1 0 271.365 -1.299 20 30 CAEDRO C[NH+]=C(NCCC(=O)N(C)C)NCCN1CCOCC1 ZINC000303878987 656982567 /nfs/dbraw/zinc/98/25/67/656982567.db2.gz JKJKSBRPWCEUIS-UHFFFAOYSA-N 1 0 285.392 -1.038 20 30 CAEDRO COC[C@H](C)NC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000303976746 656982959 /nfs/dbraw/zinc/98/29/59/656982959.db2.gz KNLXWNCLMSVIHN-VIFPVBQESA-N 1 0 278.378 -1.039 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCC(=O)NC1CC1 ZINC000303778807 656983309 /nfs/dbraw/zinc/98/33/09/656983309.db2.gz JYAZWKCLISMUQO-UHFFFAOYSA-N 1 0 283.376 -1.238 20 30 CAEDRO CC(C)(CNC(=[NH2+])N1CCOCC1)NS(C)(=O)=O ZINC000304758499 656989232 /nfs/dbraw/zinc/98/92/32/656989232.db2.gz QDEXWFLZZCFRMB-UHFFFAOYSA-N 1 0 278.378 -1.039 20 30 CAEDRO [NH2+]=C(NCC(=O)N1CCOCC1)NC[C@H]1CCCO1 ZINC000305778169 657007240 /nfs/dbraw/zinc/00/72/40/657007240.db2.gz MDUQMZIHRMTLEX-SNVBAGLBSA-N 1 0 270.333 -1.072 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963453019 657025018 /nfs/dbraw/zinc/02/50/18/657025018.db2.gz RFVMGOLSEQUZSX-TUAOUCFPSA-N 1 0 294.355 -1.070 20 30 CAEDRO C#CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007372455 657064637 /nfs/dbraw/zinc/06/46/37/657064637.db2.gz MMLARBYOAXJZMF-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014509745 657147853 /nfs/dbraw/zinc/14/78/53/657147853.db2.gz UGUZZHHGNYEUSU-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014769228 657152141 /nfs/dbraw/zinc/15/21/41/657152141.db2.gz JGEALKQFOPHTPM-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014769229 657154030 /nfs/dbraw/zinc/15/40/30/657154030.db2.gz JGEALKQFOPHTPM-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014774983 657154800 /nfs/dbraw/zinc/15/48/00/657154800.db2.gz KYCNTLIPCCZTBC-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003648 657157992 /nfs/dbraw/zinc/15/79/92/657157992.db2.gz JUMWYQFWWGYQNU-LLVKDONJSA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015010264 657158791 /nfs/dbraw/zinc/15/87/91/657158791.db2.gz RNOHHNZYCMSKTL-SNVBAGLBSA-N 1 0 265.317 -1.042 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003650 657158809 /nfs/dbraw/zinc/15/88/09/657158809.db2.gz JUMWYQFWWGYQNU-NSHDSACASA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015010258 657159565 /nfs/dbraw/zinc/15/95/65/657159565.db2.gz RNOHHNZYCMSKTL-JTQLQIEISA-N 1 0 265.317 -1.042 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015511762 657169533 /nfs/dbraw/zinc/16/95/33/657169533.db2.gz YNFYBISILUDZIX-LLVKDONJSA-N 1 0 266.345 -1.205 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015511763 657169964 /nfs/dbraw/zinc/16/99/64/657169964.db2.gz YNFYBISILUDZIX-NSHDSACASA-N 1 0 266.345 -1.205 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015510106 657170261 /nfs/dbraw/zinc/17/02/61/657170261.db2.gz RDVMRAFOCDWXCA-GFCCVEGCSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015510108 657170914 /nfs/dbraw/zinc/17/09/14/657170914.db2.gz RDVMRAFOCDWXCA-LBPRGKRZSA-N 1 0 278.356 -1.368 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015774292 657186789 /nfs/dbraw/zinc/18/67/89/657186789.db2.gz YNFGCNQYDRYGPV-BDAKNGLRSA-N 1 0 266.301 -1.039 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015790338 657188954 /nfs/dbraw/zinc/18/89/54/657188954.db2.gz HXBLEWHXSGEFPB-VIFPVBQESA-N 1 0 294.311 -1.217 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865310 657190319 /nfs/dbraw/zinc/19/03/19/657190319.db2.gz VUYPCLVMHHXAOX-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864558 657191603 /nfs/dbraw/zinc/19/16/03/657191603.db2.gz BRUXJACOOUMQBU-VIFPVBQESA-N 1 0 266.301 -1.085 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016429059 657210939 /nfs/dbraw/zinc/21/09/39/657210939.db2.gz BZRJDRBUAXNDNC-ZJUUUORDSA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001018007638 657224654 /nfs/dbraw/zinc/22/46/54/657224654.db2.gz ORUUJLVHYPCLIG-AXFHLTTASA-N 1 0 290.323 -1.107 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870593 657250502 /nfs/dbraw/zinc/25/05/02/657250502.db2.gz QQUQTTKIVDOOSC-VIFPVBQESA-N 1 0 278.316 -1.247 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001018938533 657251464 /nfs/dbraw/zinc/25/14/64/657251464.db2.gz RXIFPPDKBDLDGK-NSHDSACASA-N 1 0 290.323 -1.629 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018985892 657252127 /nfs/dbraw/zinc/25/21/27/657252127.db2.gz LBBPUMJZHNSEQH-RYUDHWBXSA-N 1 0 278.356 -1.240 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019233145 657257278 /nfs/dbraw/zinc/25/72/78/657257278.db2.gz GCTFJQUQGICWLR-NSHDSACASA-N 1 0 264.329 -1.758 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001019239114 657257764 /nfs/dbraw/zinc/25/77/64/657257764.db2.gz FOYXORVCTLKZQN-VHSXEESVSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001019378183 657268813 /nfs/dbraw/zinc/26/88/13/657268813.db2.gz MVDCSRLNTALBHH-GARJFASQSA-N 1 0 265.313 -1.157 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001019507408 657269676 /nfs/dbraw/zinc/26/96/76/657269676.db2.gz BPCAAKBQPWAKMF-JTQLQIEISA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001019617876 657275354 /nfs/dbraw/zinc/27/53/54/657275354.db2.gz JJTBBXQYURTABZ-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001019721525 657277772 /nfs/dbraw/zinc/27/77/72/657277772.db2.gz QLEDIGYINKSKFD-NSHDSACASA-N 1 0 277.328 -1.286 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019787493 657280188 /nfs/dbraw/zinc/28/01/88/657280188.db2.gz OYXCNWRZBQHBAP-UWVGGRQHSA-N 1 0 271.342 -1.498 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001019787494 657280321 /nfs/dbraw/zinc/28/03/21/657280321.db2.gz OYXCNWRZBQHBAP-VHSXEESVSA-N 1 0 271.342 -1.498 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001020212801 657292379 /nfs/dbraw/zinc/29/23/79/657292379.db2.gz GFWPPSUFNKAASQ-XYPYZODXSA-N 1 0 292.339 -1.030 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001020359031 657294398 /nfs/dbraw/zinc/29/43/98/657294398.db2.gz CKGFVURRJVONNU-MGCOHNPYSA-N 1 0 276.296 -1.181 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCN(C)[C@H](CO)C1 ZINC000687605816 782198150 /nfs/dbraw/zinc/19/81/50/782198150.db2.gz MZOSISUIAYOYDV-JTQLQIEISA-N 1 0 270.333 -1.394 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114630050 782207851 /nfs/dbraw/zinc/20/78/51/782207851.db2.gz SQIIVQMSRYWCLN-JZYVYDRUSA-N 1 0 288.373 -1.727 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114679381 782210075 /nfs/dbraw/zinc/21/00/75/782210075.db2.gz XIOXEYOBZDAFKG-WUHRBBMRSA-N 1 0 291.351 -1.181 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754614 782212548 /nfs/dbraw/zinc/21/25/48/782212548.db2.gz FDHVGNSYUWQTSB-AXTSPUMRSA-N 1 0 280.328 -1.791 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756359 782212957 /nfs/dbraw/zinc/21/29/57/782212957.db2.gz ZZEKELREFYUQIR-IAZYJMLFSA-N 1 0 285.369 -1.265 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001114888617 782223351 /nfs/dbraw/zinc/22/33/51/782223351.db2.gz KVWCOIBRMBBZPG-NNYUYHANSA-N 1 0 299.396 -1.006 20 30 CAEDRO C=C[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001253611395 782227308 /nfs/dbraw/zinc/22/73/08/782227308.db2.gz OXYZWSNKZZELFV-SSDOTTSWSA-N 1 0 258.278 -3.159 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)N(C)C ZINC000380953068 782234378 /nfs/dbraw/zinc/23/43/78/782234378.db2.gz UMTZRVACWOCYHR-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001038758507 782256684 /nfs/dbraw/zinc/25/66/84/782256684.db2.gz YFRXZWHQJWAKTE-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042096798 782324103 /nfs/dbraw/zinc/32/41/03/782324103.db2.gz BPEBIKSTPQXSJB-WDEREUQCSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042096796 782324754 /nfs/dbraw/zinc/32/47/54/782324754.db2.gz BPEBIKSTPQXSJB-MNOVXSKESA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118066 782357730 /nfs/dbraw/zinc/35/77/30/782357730.db2.gz WSQARRRCCGCGTI-MNOVXSKESA-N 1 0 294.355 -1.213 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124160 782357786 /nfs/dbraw/zinc/35/77/86/782357786.db2.gz MLMMHJMHROJVDV-LLVKDONJSA-N 1 0 294.355 -1.069 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118062 782358807 /nfs/dbraw/zinc/35/88/07/782358807.db2.gz WSQARRRCCGCGTI-GHMZBOCLSA-N 1 0 294.355 -1.213 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001045541428 782427409 /nfs/dbraw/zinc/42/74/09/782427409.db2.gz WLMXNVMUBQEXMR-WDEREUQCSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001045541425 782427631 /nfs/dbraw/zinc/42/76/31/782427631.db2.gz WLMXNVMUBQEXMR-GHMZBOCLSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001045555196 782428619 /nfs/dbraw/zinc/42/86/19/782428619.db2.gz OIVIPNFJIVDKPZ-QWRGUYRKSA-N 1 0 294.355 -1.213 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001045555197 782428884 /nfs/dbraw/zinc/42/88/84/782428884.db2.gz OIVIPNFJIVDKPZ-WDEREUQCSA-N 1 0 294.355 -1.213 20 30 CAEDRO C=CCOCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045710156 782430241 /nfs/dbraw/zinc/43/02/41/782430241.db2.gz CZVMOEZQZXUDRP-UHFFFAOYSA-N 1 0 299.371 -1.170 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058108 782431272 /nfs/dbraw/zinc/43/12/72/782431272.db2.gz CHSYMXZOWDUHNJ-LLVKDONJSA-N 1 0 266.345 -1.124 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056198 782431794 /nfs/dbraw/zinc/43/17/94/782431794.db2.gz BFGDJDFRDJCEKA-GFCCVEGCSA-N 1 0 278.356 -1.287 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056199 782432899 /nfs/dbraw/zinc/43/28/99/782432899.db2.gz BFGDJDFRDJCEKA-LBPRGKRZSA-N 1 0 278.356 -1.287 20 30 CAEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046663761 782444683 /nfs/dbraw/zinc/44/46/83/782444683.db2.gz FUMWWYCQILVYMF-TVQRCGJNSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046588626 782443521 /nfs/dbraw/zinc/44/35/21/782443521.db2.gz QLTMMFQLBKOITC-CABZTGNLSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046850048 782447349 /nfs/dbraw/zinc/44/73/49/782447349.db2.gz ZDLOTKRBGXQMGC-ZYHUDNBSSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046850035 782448215 /nfs/dbraw/zinc/44/82/15/782448215.db2.gz ZDLOTKRBGXQMGC-CMPLNLGQSA-N 1 0 285.369 -1.108 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295181 782455795 /nfs/dbraw/zinc/45/57/95/782455795.db2.gz JHOHYTVWNYNREC-QWRGUYRKSA-N 1 0 280.332 -1.247 20 30 CAEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296138 782456084 /nfs/dbraw/zinc/45/60/84/782456084.db2.gz YHDYNPLVVABOPN-QWRGUYRKSA-N 1 0 280.332 -1.247 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047353577 782464946 /nfs/dbraw/zinc/46/49/46/782464946.db2.gz GMXHRAUMBZKORD-KBPBESRZSA-N 1 0 295.383 -1.155 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001047370485 782467398 /nfs/dbraw/zinc/46/73/98/782467398.db2.gz KBSKVPFEVZAJHJ-QWRGUYRKSA-N 1 0 277.328 -1.045 20 30 CAEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047353362 782462861 /nfs/dbraw/zinc/46/28/61/782462861.db2.gz HJRYVIVQGREJDR-RYUDHWBXSA-N 1 0 278.312 -1.004 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001047368742 782468573 /nfs/dbraw/zinc/46/85/73/782468573.db2.gz RLXOINGPVMEUBA-RYUDHWBXSA-N 1 0 277.328 -1.045 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381633 782470330 /nfs/dbraw/zinc/47/03/30/782470330.db2.gz OWAYQHVTJAXWGJ-QWRGUYRKSA-N 1 0 278.316 -1.800 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414900 782476357 /nfs/dbraw/zinc/47/63/57/782476357.db2.gz YSQRIZRCGQVVQT-GUBZILKMSA-N 1 0 296.327 -1.726 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047505140 782484567 /nfs/dbraw/zinc/48/45/67/782484567.db2.gz APNCVVCUSJYVBF-RYUDHWBXSA-N 1 0 290.323 -1.090 20 30 CAEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047506788 782484600 /nfs/dbraw/zinc/48/46/00/782484600.db2.gz GDEYKBVBDDGNBX-DCAQKATOSA-N 1 0 282.344 -1.253 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510577 782486982 /nfs/dbraw/zinc/48/69/82/782486982.db2.gz VTJXKUKBOFQNRC-UWVGGRQHSA-N 1 0 255.318 -1.059 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589143 782497137 /nfs/dbraw/zinc/49/71/37/782497137.db2.gz BIXHZQHMROTMLA-QWRGUYRKSA-N 1 0 277.328 -1.126 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001047570311 782494047 /nfs/dbraw/zinc/49/40/47/782494047.db2.gz MAFQDXVDSMFUEQ-UWVGGRQHSA-N 1 0 263.301 -1.055 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001047603513 782497882 /nfs/dbraw/zinc/49/78/82/782497882.db2.gz RPAVDTWIRRMZNX-SRVKXCTJSA-N 1 0 279.340 -1.208 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001047635010 782501131 /nfs/dbraw/zinc/50/11/31/782501131.db2.gz SVJZITKJYYEYMH-IHRRRGAJSA-N 1 0 295.383 -1.156 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001047630454 782500276 /nfs/dbraw/zinc/50/02/76/782500276.db2.gz RMISKQWOQOQGSS-RYUDHWBXSA-N 1 0 290.323 -1.136 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048865596 782522104 /nfs/dbraw/zinc/52/21/04/782522104.db2.gz IJWBJCSTHPUYDL-BETUJISGSA-N 1 0 291.351 -1.131 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049220450 782531561 /nfs/dbraw/zinc/53/15/61/782531561.db2.gz NAWSLHXUCUVPAX-GRYCIOLGSA-N 1 0 297.380 -1.299 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049205978 782532536 /nfs/dbraw/zinc/53/25/36/782532536.db2.gz PWRPJQDFIGGSEU-PHIMTYICSA-N 1 0 290.323 -1.438 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097638558 782547284 /nfs/dbraw/zinc/54/72/84/782547284.db2.gz CVXQRDHWBOLAFA-UPJWGTAASA-N 1 0 290.367 -1.227 20 30 CAEDRO C[N@@H+]1CCC[C@@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001254505042 782550168 /nfs/dbraw/zinc/55/01/68/782550168.db2.gz YENMKNZUWQJPSF-NZEXEKPDSA-N 1 0 290.360 -2.297 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CNS(=O)(=O)CC ZINC001270410573 775529898 /nfs/dbraw/zinc/52/98/98/775529898.db2.gz WOWDPXVKXNSOAL-JTQLQIEISA-N 1 0 275.374 -1.099 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCOCC ZINC001124691774 776009782 /nfs/dbraw/zinc/00/97/82/776009782.db2.gz WGUNGZYEJWHSKC-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121029 776763435 /nfs/dbraw/zinc/76/34/35/776763435.db2.gz GBVAOUSBQPBIQR-RKDXNWHRSA-N 1 0 281.316 -2.489 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001283803957 777919359 /nfs/dbraw/zinc/91/93/59/777919359.db2.gz MEKAWLGEFCVGHN-MFKMUULPSA-N 1 0 267.329 -1.255 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001283805177 777919709 /nfs/dbraw/zinc/91/97/09/777919709.db2.gz RDIKUSYOFFNQIT-MXWKQRLJSA-N 1 0 258.318 -1.364 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001284458115 777943532 /nfs/dbraw/zinc/94/35/32/777943532.db2.gz ZEINWNFWFZAFGP-UWVGGRQHSA-N 1 0 253.302 -1.693 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001284466202 777943634 /nfs/dbraw/zinc/94/36/34/777943634.db2.gz ALTMGPIYLJDZJI-LLVKDONJSA-N 1 0 295.339 -1.432 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)NC(C)=O ZINC001284448896 777944096 /nfs/dbraw/zinc/94/40/96/777944096.db2.gz WLUPQAOEFVERKS-NWDGAFQWSA-N 1 0 269.345 -1.057 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001284459346 777944248 /nfs/dbraw/zinc/94/42/48/777944248.db2.gz CFWWUDWJQNOCDJ-SNVBAGLBSA-N 1 0 281.312 -1.919 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)COCc1nncn1C ZINC001284457692 777944269 /nfs/dbraw/zinc/94/42/69/777944269.db2.gz WSMXLBUJMVWEAL-LLVKDONJSA-N 1 0 295.343 -1.626 20 30 CAEDRO C=CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O)nn1 ZINC001284446318 777944433 /nfs/dbraw/zinc/94/44/33/777944433.db2.gz FLOBRYVHGOEBJB-MNOVXSKESA-N 1 0 297.359 -1.133 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001120420029 779635888 /nfs/dbraw/zinc/63/58/88/779635888.db2.gz FHJBJDMACRKPOH-JTQLQIEISA-N 1 0 267.329 -1.052 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001120583467 779643386 /nfs/dbraw/zinc/64/33/86/779643386.db2.gz PDZCAKBRFNZPTG-PWSUYJOCSA-N 1 0 258.318 -1.219 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCCC(N)=O ZINC001153462422 779838490 /nfs/dbraw/zinc/83/84/90/779838490.db2.gz VLHMKROXALEEPO-UHFFFAOYSA-N 1 0 255.318 -1.002 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001120795482 779644529 /nfs/dbraw/zinc/64/45/29/779644529.db2.gz USGAHNPZOJUWFY-SNVBAGLBSA-N 1 0 283.328 -1.054 20 30 CAEDRO C[NH+](C)CCC(=O)NC[C@H](CO)Nc1ccnc(C#N)n1 ZINC001122543666 779672588 /nfs/dbraw/zinc/67/25/88/779672588.db2.gz OSSNRUJUPFOPQG-SNVBAGLBSA-N 1 0 292.343 -1.389 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123063370 779678295 /nfs/dbraw/zinc/67/82/95/779678295.db2.gz PQVXVZIIPKLRHU-SECBINFHSA-N 1 0 270.333 -1.481 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc[n+]([O-])cc1 ZINC001123046246 779678417 /nfs/dbraw/zinc/67/84/17/779678417.db2.gz AZMALGRCVSAQRD-NSHDSACASA-N 1 0 290.323 -1.223 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc[n+]([O-])cc1 ZINC001123046243 779678529 /nfs/dbraw/zinc/67/85/29/779678529.db2.gz AZMALGRCVSAQRD-LLVKDONJSA-N 1 0 290.323 -1.223 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123089328 779679242 /nfs/dbraw/zinc/67/92/42/779679242.db2.gz CSSCDDOAGFIZQQ-NXEZZACHSA-N 1 0 284.360 -1.093 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123089344 779679298 /nfs/dbraw/zinc/67/92/98/779679298.db2.gz CSSCDDOAGFIZQQ-ZJUUUORDSA-N 1 0 284.360 -1.093 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123089269 779679379 /nfs/dbraw/zinc/67/93/79/779679379.db2.gz CIRJXXPUVZSAEC-UHFFFAOYSA-N 1 0 279.300 -1.196 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123082669 779679399 /nfs/dbraw/zinc/67/93/99/779679399.db2.gz LCBMUBVGSKVFBD-VHSXEESVSA-N 1 0 282.344 -1.645 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123072623 779679412 /nfs/dbraw/zinc/67/94/12/779679412.db2.gz UKZJDYDFLAQZNV-QMMMGPOBSA-N 1 0 269.305 -2.143 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123082667 779679626 /nfs/dbraw/zinc/67/96/26/779679626.db2.gz LCBMUBVGSKVFBD-NXEZZACHSA-N 1 0 282.344 -1.645 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123082670 779679673 /nfs/dbraw/zinc/67/96/73/779679673.db2.gz LCBMUBVGSKVFBD-ZJUUUORDSA-N 1 0 282.344 -1.645 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123089337 779679761 /nfs/dbraw/zinc/67/97/61/779679761.db2.gz CSSCDDOAGFIZQQ-UWVGGRQHSA-N 1 0 284.360 -1.093 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123821402 779693704 /nfs/dbraw/zinc/69/37/04/779693704.db2.gz ROHUPKMRKCNDKH-JTQLQIEISA-N 1 0 282.344 -1.692 20 30 CAEDRO CC(=O)N(C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123810230 779694245 /nfs/dbraw/zinc/69/42/45/779694245.db2.gz KHXVATVYWURDPY-UHFFFAOYSA-N 1 0 269.305 -2.190 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123809827 779694375 /nfs/dbraw/zinc/69/43/75/779694375.db2.gz HIQUSDKAQLYYIN-UHFFFAOYSA-N 1 0 268.317 -2.080 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)=O ZINC001123821407 779694473 /nfs/dbraw/zinc/69/44/73/779694473.db2.gz ROHUPKMRKCNDKH-SNVBAGLBSA-N 1 0 282.344 -1.692 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnns1 ZINC001124182098 779706308 /nfs/dbraw/zinc/70/63/08/779706308.db2.gz QBMAQHXZELTSLW-QMMMGPOBSA-N 1 0 281.341 -1.005 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186236 779706371 /nfs/dbraw/zinc/70/63/71/779706371.db2.gz BXIPNIYYXCAWHB-VIFPVBQESA-N 1 0 284.316 -1.814 20 30 CAEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001124230864 779707432 /nfs/dbraw/zinc/70/74/32/779707432.db2.gz WSPRONZMAKPAKB-UHFFFAOYSA-N 1 0 264.289 -1.323 20 30 CAEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001124256866 779707505 /nfs/dbraw/zinc/70/75/05/779707505.db2.gz IHYPKLODDSDXMQ-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C=CCOCCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001125248373 779725865 /nfs/dbraw/zinc/72/58/65/779725865.db2.gz UKZWKTYDOZEESD-UHFFFAOYSA-N 1 0 286.332 -1.130 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149455181 779778075 /nfs/dbraw/zinc/77/80/75/779778075.db2.gz GTXZYGTWRJDMLF-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCNC(N)=O ZINC001150432642 779794511 /nfs/dbraw/zinc/79/45/11/779794511.db2.gz YNCCDYZUCPMDHG-VIFPVBQESA-N 1 0 285.348 -1.559 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCNC(N)=O ZINC001150415565 779794612 /nfs/dbraw/zinc/79/46/12/779794612.db2.gz ZLTVBUAXKBJLNX-UHFFFAOYSA-N 1 0 270.293 -2.610 20 30 CAEDRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CCC1=O ZINC001152522174 779827079 /nfs/dbraw/zinc/82/70/79/779827079.db2.gz KOAQGSNJDVPGDX-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCCOCC ZINC001152542901 779827446 /nfs/dbraw/zinc/82/74/46/779827446.db2.gz WDFRMGOQNFRTHF-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO CN1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CCC1=O ZINC001152522171 779827839 /nfs/dbraw/zinc/82/78/39/779827839.db2.gz KOAQGSNJDVPGDX-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152809418 779833139 /nfs/dbraw/zinc/83/31/39/779833139.db2.gz FNZOZOAUXUZINE-LLVKDONJSA-N 1 0 295.343 -1.657 20 30 CAEDRO CN(CCC[NH3+])C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001118573973 779577737 /nfs/dbraw/zinc/57/77/37/779577737.db2.gz MRJXAKDOMNONPJ-VIFPVBQESA-N 1 0 254.290 -1.455 20 30 CAEDRO C#CCSCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118867458 779591649 /nfs/dbraw/zinc/59/16/49/779591649.db2.gz LCJXXEWHUCEPHU-SNVBAGLBSA-N 1 0 285.369 -1.426 20 30 CAEDRO C#CCSCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118867457 779591711 /nfs/dbraw/zinc/59/17/11/779591711.db2.gz LCJXXEWHUCEPHU-JTQLQIEISA-N 1 0 285.369 -1.426 20 30 CAEDRO C=CCS(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239096049 780530156 /nfs/dbraw/zinc/53/01/56/780530156.db2.gz YEOIJZZTIJRMGU-UHFFFAOYSA-N 1 0 276.406 -1.413 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239095996 780530423 /nfs/dbraw/zinc/53/04/23/780530423.db2.gz VATHTCHFLILEIT-LLVKDONJSA-N 1 0 289.405 -1.687 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239095997 780530575 /nfs/dbraw/zinc/53/05/75/780530575.db2.gz VATHTCHFLILEIT-NSHDSACASA-N 1 0 289.405 -1.687 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001278630657 780574100 /nfs/dbraw/zinc/57/41/00/780574100.db2.gz LRUSELUNBMPJGH-JTQLQIEISA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCS(=O)(=O)N(C)C ZINC001251887800 780578304 /nfs/dbraw/zinc/57/83/04/780578304.db2.gz JMRVTLPDQCKKLM-SNVBAGLBSA-N 1 0 264.347 -1.522 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCOCCOCCO ZINC001251888314 780578391 /nfs/dbraw/zinc/57/83/91/780578391.db2.gz RSFHYDJWKSKBBC-LBPRGKRZSA-N 1 0 261.318 -1.388 20 30 CAEDRO C#CCOC[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001251855462 780578491 /nfs/dbraw/zinc/57/84/91/780578491.db2.gz XXCOTEJMRMLMMU-JTQLQIEISA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CCOC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC001251858321 780578568 /nfs/dbraw/zinc/57/85/68/780578568.db2.gz VRODLLINBILQJO-NEPJUHHUSA-N 1 0 298.339 -1.249 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CC(=O)NCC(=O)OCC ZINC001251884940 780578609 /nfs/dbraw/zinc/57/86/09/780578609.db2.gz KGAWCMLLUPJPCQ-JTQLQIEISA-N 1 0 272.301 -1.734 20 30 CAEDRO C#CCOC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC001251858322 780578626 /nfs/dbraw/zinc/57/86/26/780578626.db2.gz VRODLLINBILQJO-RYUDHWBXSA-N 1 0 298.339 -1.249 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCN1C(=O)C=CC1=O ZINC001251888720 780578692 /nfs/dbraw/zinc/57/86/92/780578692.db2.gz ZANPXVGSJORGCV-SNVBAGLBSA-N 1 0 252.270 -1.488 20 30 CAEDRO C#CCOC[C@H](O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001251851840 780578758 /nfs/dbraw/zinc/57/87/58/780578758.db2.gz TYPMRTYFINKOGU-GFCCVEGCSA-N 1 0 283.372 -1.121 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001278749561 780595943 /nfs/dbraw/zinc/59/59/43/780595943.db2.gz KHRLYMQGJCCPBS-SNVBAGLBSA-N 1 0 265.317 -1.139 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001278751260 780596350 /nfs/dbraw/zinc/59/63/50/780596350.db2.gz YKLAVMYZVNAPLE-WDEREUQCSA-N 1 0 265.317 -1.119 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001278751259 780596461 /nfs/dbraw/zinc/59/64/61/780596461.db2.gz YKLAVMYZVNAPLE-QWRGUYRKSA-N 1 0 265.317 -1.119 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001278773763 780602168 /nfs/dbraw/zinc/60/21/68/780602168.db2.gz KJUQZPWSFVRSDT-LLVKDONJSA-N 1 0 297.359 -1.433 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001278844586 780612299 /nfs/dbraw/zinc/61/22/99/780612299.db2.gz HYAKHDXODHDZFM-NSHDSACASA-N 1 0 290.323 -1.164 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001278844585 780612615 /nfs/dbraw/zinc/61/26/15/780612615.db2.gz HYAKHDXODHDZFM-LLVKDONJSA-N 1 0 290.323 -1.164 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171428 780405455 /nfs/dbraw/zinc/40/54/55/780405455.db2.gz UGHCIFSTYJHVJD-MNOVXSKESA-N 1 0 267.329 -1.173 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001278178650 780512572 /nfs/dbraw/zinc/51/25/72/780512572.db2.gz KIHNQZCTEHFNCZ-JTQLQIEISA-N 1 0 298.343 -1.429 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C1(C(=O)NC)CCC1 ZINC001278186632 780512862 /nfs/dbraw/zinc/51/28/62/780512862.db2.gz HSAFHDKOGBDJTF-LLVKDONJSA-N 1 0 281.356 -1.007 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C1(C(=O)NC)CCC1 ZINC001278186633 780512892 /nfs/dbraw/zinc/51/28/92/780512892.db2.gz HSAFHDKOGBDJTF-NSHDSACASA-N 1 0 281.356 -1.007 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001238065301 780512990 /nfs/dbraw/zinc/51/29/90/780512990.db2.gz WFTANBIYEOPXCM-XHNCKOQMSA-N 1 0 265.310 -1.120 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001278176923 780513055 /nfs/dbraw/zinc/51/30/55/780513055.db2.gz DTWBBDYJWJKBME-LLVKDONJSA-N 1 0 294.355 -1.338 20 30 CAEDRO N#CCS(=O)(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001238064409 780513082 /nfs/dbraw/zinc/51/30/82/780513082.db2.gz OTPHLPFSWATMBD-JGVFFNPUSA-N 1 0 251.283 -1.508 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccn(C)c1=O ZINC001278187046 780513161 /nfs/dbraw/zinc/51/31/61/780513161.db2.gz MSHCTONQEPJVTQ-SNVBAGLBSA-N 1 0 263.297 -1.301 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001278214379 780515371 /nfs/dbraw/zinc/51/53/71/780515371.db2.gz SQQNMIYFZPQIRX-LLVKDONJSA-N 1 0 290.323 -1.116 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238325707 780516087 /nfs/dbraw/zinc/51/60/87/780516087.db2.gz CQJXSPVJGAOWDN-BKPPORCPSA-N 1 0 258.303 -1.604 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(C(N)=O)n1 ZINC001278202897 780516131 /nfs/dbraw/zinc/51/61/31/780516131.db2.gz WOOPHGZCBHLQPL-SECBINFHSA-N 1 0 276.296 -1.506 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)NCCCC[C@H]([NH3+])C(N)=O ZINC001238839908 780524794 /nfs/dbraw/zinc/52/47/94/780524794.db2.gz WERODLIUQUOUCT-SFYZADRCSA-N 1 0 262.335 -1.199 20 30 CAEDRO CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)CC#N ZINC001238917278 780525682 /nfs/dbraw/zinc/52/56/82/780525682.db2.gz KMBMMEAPICESFX-QMMMGPOBSA-N 1 0 262.335 -1.327 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ncn(C)n1 ZINC001261242683 780660367 /nfs/dbraw/zinc/66/03/67/780660367.db2.gz CQCYNMWEBLYBIY-UHFFFAOYSA-N 1 0 278.316 -1.175 20 30 CAEDRO C=CCn1cc(CNC(=O)[C@@H]([NH3+])CC(=O)OC)nn1 ZINC001261456380 780663857 /nfs/dbraw/zinc/66/38/57/780663857.db2.gz XKPQFSOLYVXLMC-VIFPVBQESA-N 1 0 267.289 -1.029 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001185905311 781789434 /nfs/dbraw/zinc/78/94/34/781789434.db2.gz QOVGMPNIQWJWOW-NXEZZACHSA-N 1 0 273.358 -1.252 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC001263083156 780719327 /nfs/dbraw/zinc/71/93/27/780719327.db2.gz DDDQXJMBOAWOBT-UHFFFAOYSA-N 1 0 294.355 -1.594 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1=O ZINC001263187084 780723467 /nfs/dbraw/zinc/72/34/67/780723467.db2.gz YZGFTNSYTLOJEI-RKDXNWHRSA-N 1 0 294.311 -1.313 20 30 CAEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@@H]2C1 ZINC001264657258 780738850 /nfs/dbraw/zinc/73/88/50/780738850.db2.gz STBAQRHIXPGHQJ-NEPJUHHUSA-N 1 0 299.396 -1.051 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001264430818 780739174 /nfs/dbraw/zinc/73/91/74/780739174.db2.gz OLMQCMWXEYHBQX-ZKCHVHJHSA-N 1 0 267.289 -2.404 20 30 CAEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)Cn1ncnn1 ZINC001279717136 780776321 /nfs/dbraw/zinc/77/63/21/780776321.db2.gz JDZLKOGNZQQDRO-UHFFFAOYSA-N 1 0 268.321 -1.340 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)Cn1cnc(C(N)=O)n1 ZINC001279718125 780776572 /nfs/dbraw/zinc/77/65/72/780776572.db2.gz SQDIGNDFBVWQFA-UHFFFAOYSA-N 1 0 294.315 -2.579 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001279792048 780776678 /nfs/dbraw/zinc/77/66/78/780776678.db2.gz NWQXOQCYMCGWSX-NSHDSACASA-N 1 0 267.329 -1.444 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001279792047 780776687 /nfs/dbraw/zinc/77/66/87/780776687.db2.gz NWQXOQCYMCGWSX-LLVKDONJSA-N 1 0 267.329 -1.444 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)C(N)=O)C1=O ZINC001279810434 780776799 /nfs/dbraw/zinc/77/67/99/780776799.db2.gz QPZBVAUZFYUTFA-JTQLQIEISA-N 1 0 298.343 -2.331 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1C ZINC001279801085 780776877 /nfs/dbraw/zinc/77/68/77/780776877.db2.gz RZRMPEHQOQNEMA-LLVKDONJSA-N 1 0 267.329 -1.349 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001279830714 780777804 /nfs/dbraw/zinc/77/78/04/780777804.db2.gz LAQMBBIQRCYJFX-NEPJUHHUSA-N 1 0 272.345 -1.020 20 30 CAEDRO C#CCOCCC(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001281241873 780798717 /nfs/dbraw/zinc/79/87/17/780798717.db2.gz JOKHOFNOHCVOFJ-UHFFFAOYSA-N 1 0 297.355 -1.233 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)[C@@H]2COC(=O)N2)CCOCC1 ZINC001281243572 780799215 /nfs/dbraw/zinc/79/92/15/780799215.db2.gz YZWLNGPLHLBDCV-JTQLQIEISA-N 1 0 281.312 -1.017 20 30 CAEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001282463679 780818738 /nfs/dbraw/zinc/81/87/38/780818738.db2.gz BHKGXOROORTHQD-JQWIXIFHSA-N 1 0 296.371 -1.174 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001282455365 780820374 /nfs/dbraw/zinc/82/03/74/780820374.db2.gz OTUXFWHYBXBLRO-QMMMGPOBSA-N 1 0 299.356 -1.260 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190717650 781884542 /nfs/dbraw/zinc/88/45/42/781884542.db2.gz MTUXSIOKYRVLKA-VXGBXAGGSA-N 1 0 285.344 -1.514 20 30 CAEDRO C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001097942952 782594727 /nfs/dbraw/zinc/59/47/27/782594727.db2.gz PFAPAQCBWJEAJG-ZNSHCXBVSA-N 1 0 290.323 -1.061 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001054669960 782599437 /nfs/dbraw/zinc/59/94/37/782599437.db2.gz GMVZIQSNOWZIFG-NXEZZACHSA-N 1 0 292.343 -1.001 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001054673332 782599495 /nfs/dbraw/zinc/59/94/95/782599495.db2.gz QZSDKGDELSGORS-NXEZZACHSA-N 1 0 290.327 -1.553 20 30 CAEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001054669965 782599983 /nfs/dbraw/zinc/59/99/83/782599983.db2.gz GMVZIQSNOWZIFG-UWVGGRQHSA-N 1 0 292.343 -1.001 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC001054819981 782601230 /nfs/dbraw/zinc/60/12/30/782601230.db2.gz MPSNJXYOGIWUJV-STQMWFEESA-N 1 0 292.383 -1.170 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1C ZINC001054745899 782601529 /nfs/dbraw/zinc/60/15/29/782601529.db2.gz DZEQZYYMEILZJL-RYUDHWBXSA-N 1 0 279.340 -1.085 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001054819346 782601693 /nfs/dbraw/zinc/60/16/93/782601693.db2.gz GQDGHEJQMLNSPW-GHMZBOCLSA-N 1 0 277.328 -1.349 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001054819349 782601708 /nfs/dbraw/zinc/60/17/08/782601708.db2.gz GQDGHEJQMLNSPW-WDEREUQCSA-N 1 0 277.328 -1.349 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC001054819979 782601768 /nfs/dbraw/zinc/60/17/68/782601768.db2.gz MPSNJXYOGIWUJV-OLZOCXBDSA-N 1 0 292.383 -1.170 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001054745905 782601871 /nfs/dbraw/zinc/60/18/71/782601871.db2.gz DZEQZYYMEILZJL-VXGBXAGGSA-N 1 0 279.340 -1.085 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC001054819978 782601939 /nfs/dbraw/zinc/60/19/39/782601939.db2.gz MPSNJXYOGIWUJV-CHWSQXEVSA-N 1 0 292.383 -1.170 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001054970025 782605112 /nfs/dbraw/zinc/60/51/12/782605112.db2.gz YLROWODSEISDSG-RYUDHWBXSA-N 1 0 278.356 -1.512 20 30 CAEDRO O=C[C@H]([NH2+]C1CCSCC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255081828 782610044 /nfs/dbraw/zinc/61/00/44/782610044.db2.gz ZRWLGYDRXQYRLT-LNFKQOIKSA-N 1 0 279.358 -1.886 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055632040 782612856 /nfs/dbraw/zinc/61/28/56/782612856.db2.gz OVCWFSYFPNJYDZ-SECBINFHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001052075331 782712226 /nfs/dbraw/zinc/71/22/26/782712226.db2.gz ZQSAICICNRLHSU-GFCCVEGCSA-N 1 0 278.356 -1.287 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098053690 782733426 /nfs/dbraw/zinc/73/34/26/782733426.db2.gz JBPNPUIQJBKUDK-MXWKQRLJSA-N 1 0 290.323 -1.107 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070157186 782747963 /nfs/dbraw/zinc/74/79/63/782747963.db2.gz MXXKWPUGTNSFFO-MXWKQRLJSA-N 1 0 278.316 -1.228 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001070224698 782748019 /nfs/dbraw/zinc/74/80/19/782748019.db2.gz UXSSTDWVGLCBDX-MNOVXSKESA-N 1 0 286.299 -1.315 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070262751 782748770 /nfs/dbraw/zinc/74/87/70/782748770.db2.gz JGZZYUBQRHXSFU-BDAKNGLRSA-N 1 0 262.273 -2.262 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070528090 782751760 /nfs/dbraw/zinc/75/17/60/782751760.db2.gz UOTARPHGSCZUAA-GXSJLCMTSA-N 1 0 277.328 -1.025 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C ZINC001070631902 782752694 /nfs/dbraw/zinc/75/26/94/782752694.db2.gz VJGPIRYUDCPCCG-GHMZBOCLSA-N 1 0 289.339 -1.187 20 30 CAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001071206438 782759259 /nfs/dbraw/zinc/75/92/59/782759259.db2.gz KFJHIALOYZUNEJ-MFKMUULPSA-N 1 0 265.313 -1.203 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822667 782784885 /nfs/dbraw/zinc/78/48/85/782784885.db2.gz SETGMBYWGOHFOL-JTQLQIEISA-N 1 0 290.323 -1.248 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072932460 782787121 /nfs/dbraw/zinc/78/71/21/782787121.db2.gz SULDQYGVAMZJMU-SNVBAGLBSA-N 1 0 262.313 -1.165 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439025 782790499 /nfs/dbraw/zinc/79/04/99/782790499.db2.gz HOHXNKJZWFJVDR-LLVKDONJSA-N 1 0 297.380 -1.154 20 30 CAEDRO CC1(C)C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001255526465 782790702 /nfs/dbraw/zinc/79/07/02/782790702.db2.gz TZWNBQLYBQUTNJ-PREPNJAASA-N 1 0 291.344 -1.824 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412948 782791173 /nfs/dbraw/zinc/79/11/73/782791173.db2.gz MUURWZNAABGSCX-UHFFFAOYSA-N 1 0 290.323 -1.294 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001074842320 782813031 /nfs/dbraw/zinc/81/30/31/782813031.db2.gz UVPVODDOPXJYED-LPEHRKFASA-N 1 0 250.302 -1.120 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098343623 782818579 /nfs/dbraw/zinc/81/85/79/782818579.db2.gz KGJPYCOSSIJSAC-MXWKQRLJSA-N 1 0 290.323 -1.107 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099631139 782823525 /nfs/dbraw/zinc/82/35/25/782823525.db2.gz UFMQROJTDHKDND-QWRGUYRKSA-N 1 0 255.318 -1.140 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651401 782824828 /nfs/dbraw/zinc/82/48/28/782824828.db2.gz UJQPDIGPBLSACH-NXEZZACHSA-N 1 0 270.333 -1.218 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099637733 782826319 /nfs/dbraw/zinc/82/63/19/782826319.db2.gz ZOQJPPHROIBNOC-VXGBXAGGSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665312 782827544 /nfs/dbraw/zinc/82/75/44/782827544.db2.gz FKVSPASCEVQPTE-UWVGGRQHSA-N 1 0 268.317 -1.771 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665314 782828021 /nfs/dbraw/zinc/82/80/21/782828021.db2.gz FKVSPASCEVQPTE-ZJUUUORDSA-N 1 0 268.317 -1.771 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758218 782833466 /nfs/dbraw/zinc/83/34/66/782833466.db2.gz PNLAZBHCEXWRTO-NXEZZACHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC=C)C[C@H]1O ZINC001099789611 782836468 /nfs/dbraw/zinc/83/64/68/782836468.db2.gz OYKBKZNNUUSRNB-NWDGAFQWSA-N 1 0 279.340 -1.137 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099835882 782840263 /nfs/dbraw/zinc/84/02/63/782840263.db2.gz QRIYRUCORAARRJ-NEPJUHHUSA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791737 782837679 /nfs/dbraw/zinc/83/76/79/782837679.db2.gz JVUQOANYGFUMGT-WDEREUQCSA-N 1 0 267.329 -1.303 20 30 CAEDRO CC#CC[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099812938 782839394 /nfs/dbraw/zinc/83/93/94/782839394.db2.gz IKOANFQCNZTBNQ-NWDGAFQWSA-N 1 0 296.371 -1.120 20 30 CAEDRO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099826279 782839594 /nfs/dbraw/zinc/83/95/94/782839594.db2.gz IVIVTEXNRHWPDS-VXGBXAGGSA-N 1 0 252.314 -1.057 20 30 CAEDRO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099826277 782839790 /nfs/dbraw/zinc/83/97/90/782839790.db2.gz IVIVTEXNRHWPDS-NWDGAFQWSA-N 1 0 252.314 -1.057 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099862774 782841034 /nfs/dbraw/zinc/84/10/34/782841034.db2.gz BFGSHPPVXYUBNY-RYUDHWBXSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099864477 782841301 /nfs/dbraw/zinc/84/13/01/782841301.db2.gz SMRFXSVGHRBKQM-NWDGAFQWSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099864476 782841783 /nfs/dbraw/zinc/84/17/83/782841783.db2.gz SMRFXSVGHRBKQM-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099862772 782842194 /nfs/dbraw/zinc/84/21/94/782842194.db2.gz BFGSHPPVXYUBNY-NEPJUHHUSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099975880 782844675 /nfs/dbraw/zinc/84/46/75/782844675.db2.gz IIXNGDZTHJANTI-VHSXEESVSA-N 1 0 267.329 -1.011 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099975878 782845097 /nfs/dbraw/zinc/84/50/97/782845097.db2.gz IIXNGDZTHJANTI-UWVGGRQHSA-N 1 0 267.329 -1.011 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980075 782846561 /nfs/dbraw/zinc/84/65/61/782846561.db2.gz AUOJARIASIHIJO-QWRGUYRKSA-N 1 0 279.340 -1.173 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980076 782847426 /nfs/dbraw/zinc/84/74/26/782847426.db2.gz AUOJARIASIHIJO-WDEREUQCSA-N 1 0 279.340 -1.173 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100047164 782848415 /nfs/dbraw/zinc/84/84/15/782848415.db2.gz YKJKMHKKTAFTKQ-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100047167 782848766 /nfs/dbraw/zinc/84/87/66/782848766.db2.gz YKJKMHKKTAFTKQ-WDEREUQCSA-N 1 0 280.332 -1.199 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046044 782848980 /nfs/dbraw/zinc/84/89/80/782848980.db2.gz GOQMMZZAVHHNFL-VXGBXAGGSA-N 1 0 292.343 -1.362 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046041 782849186 /nfs/dbraw/zinc/84/91/86/782849186.db2.gz GOQMMZZAVHHNFL-NEPJUHHUSA-N 1 0 292.343 -1.362 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046042 782849436 /nfs/dbraw/zinc/84/94/36/782849436.db2.gz GOQMMZZAVHHNFL-NWDGAFQWSA-N 1 0 292.343 -1.362 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100104319 782850981 /nfs/dbraw/zinc/85/09/81/782850981.db2.gz ZREJHAXDKTYOFR-UWVGGRQHSA-N 1 0 270.333 -1.218 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106212 782851905 /nfs/dbraw/zinc/85/19/05/782851905.db2.gz QTRRAZWNFPXTNK-QWRGUYRKSA-N 1 0 282.344 -1.381 20 30 CAEDRO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O ZINC001100074831 782852121 /nfs/dbraw/zinc/85/21/21/782852121.db2.gz UBZNILPQIGKGPT-NEPJUHHUSA-N 1 0 284.360 -1.360 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100116159 782853496 /nfs/dbraw/zinc/85/34/96/782853496.db2.gz NMIGUBOWVMRJRP-NXEZZACHSA-N 1 0 291.373 -1.727 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]C[C@@H](C)O)C1 ZINC001100263124 782854205 /nfs/dbraw/zinc/85/42/05/782854205.db2.gz WTJXKWJUVMRIIM-VOMCLLRMSA-N 1 0 281.356 -1.009 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100263840 782854737 /nfs/dbraw/zinc/85/47/37/782854737.db2.gz KCLQHTXGQTUFST-UHFFFAOYSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100263075 782854762 /nfs/dbraw/zinc/85/47/62/782854762.db2.gz UAJJLMYXCOLZHR-WHXUTIOJSA-N 1 0 294.355 -1.516 20 30 CAEDRO COCC#CC[NH2+]C1CC(CNC(=O)CC(N)=O)C1 ZINC001100209906 782854868 /nfs/dbraw/zinc/85/48/68/782854868.db2.gz NTAXSKWDDXUTJH-UHFFFAOYSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100262709 782854882 /nfs/dbraw/zinc/85/48/82/782854882.db2.gz DYBCSZWBJWQHOD-UHFFFAOYSA-N 1 0 280.328 -1.904 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC(N)=O)C1 ZINC001100209141 782854952 /nfs/dbraw/zinc/85/49/52/782854952.db2.gz VUFJSNGVGYPDMV-UHFFFAOYSA-N 1 0 281.316 -2.014 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100322186 782856886 /nfs/dbraw/zinc/85/68/86/782856886.db2.gz DTCNJNWEALMLGZ-WHXUTIOJSA-N 1 0 267.329 -1.006 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100632468 782860827 /nfs/dbraw/zinc/86/08/27/782860827.db2.gz AQQCTQIDSDERBR-UHFFFAOYSA-N 1 0 268.317 -1.742 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001100475081 782858092 /nfs/dbraw/zinc/85/80/92/782858092.db2.gz BESCYIHERCYIDX-UHFFFAOYSA-N 1 0 290.327 -1.348 20 30 CAEDRO C=CC[NH2+]C1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001100454767 782858619 /nfs/dbraw/zinc/85/86/19/782858619.db2.gz KWCVNDSVFWQLGB-UHFFFAOYSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001100565803 782859218 /nfs/dbraw/zinc/85/92/18/782859218.db2.gz PIVXSXQGRBESAZ-UHFFFAOYSA-N 1 0 278.356 -1.464 20 30 CAEDRO CC#CC[NH2+]C1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001100563315 782859571 /nfs/dbraw/zinc/85/95/71/782859571.db2.gz CQUWBLYLXFGZKJ-UHFFFAOYSA-N 1 0 292.383 -1.074 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001100735064 782862169 /nfs/dbraw/zinc/86/21/69/782862169.db2.gz MDSCIGPVEAXWOL-MCIGGMRASA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101464027 782864132 /nfs/dbraw/zinc/86/41/32/782864132.db2.gz PSJWMTNNDGRKJN-YPMHNXCESA-N 1 0 299.396 -1.051 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715765 782865491 /nfs/dbraw/zinc/86/54/91/782865491.db2.gz IFUKJXHADAVQKF-GHMZBOCLSA-N 1 0 262.317 -1.010 20 30 CAEDRO COCC#CC[N@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711193 782866137 /nfs/dbraw/zinc/86/61/37/782866137.db2.gz QLWVYSUFLOPNCZ-VXGBXAGGSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001101900577 782867203 /nfs/dbraw/zinc/86/72/03/782867203.db2.gz QFSRHWMUOSWONH-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837636 782867393 /nfs/dbraw/zinc/86/73/93/782867393.db2.gz HJWXNJDCMDJISK-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO COCC#CC[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102304712 782869831 /nfs/dbraw/zinc/86/98/31/782869831.db2.gz TWMPNJLVCCIDCA-GHMZBOCLSA-N 1 0 267.329 -1.194 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC001102215062 782869914 /nfs/dbraw/zinc/86/99/14/782869914.db2.gz IQFDKIHDXVYKJX-CHWSQXEVSA-N 1 0 292.383 -1.265 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306088 782870628 /nfs/dbraw/zinc/87/06/28/782870628.db2.gz FXKIPWWHFJHVQN-OUAUKWLOSA-N 1 0 294.355 -1.706 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306087 782870955 /nfs/dbraw/zinc/87/09/55/782870955.db2.gz FXKIPWWHFJHVQN-GMTAPVOTSA-N 1 0 294.355 -1.706 20 30 CAEDRO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103390414 782874685 /nfs/dbraw/zinc/87/46/85/782874685.db2.gz UCMSYHKJUFZTHE-GHMZBOCLSA-N 1 0 296.371 -1.152 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115013103 782878542 /nfs/dbraw/zinc/87/85/42/782878542.db2.gz GKIPTRIRZZPHJN-IAZYJMLFSA-N 1 0 260.301 -1.257 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115187757 782879651 /nfs/dbraw/zinc/87/96/51/782879651.db2.gz FGOSUYMSOBTUIS-PJXYFTJBSA-N 1 0 299.396 -1.053 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001115219246 782880542 /nfs/dbraw/zinc/88/05/42/782880542.db2.gz UJLAMBGEHOYSAE-MIZYBKAJSA-N 1 0 290.323 -1.346 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)N(C)C ZINC001115282831 782881942 /nfs/dbraw/zinc/88/19/42/782881942.db2.gz WYKDUQQZWTWRPP-PJXYFTJBSA-N 1 0 299.396 -1.053 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCS(N)(=O)=O)CC1 ZINC001115891275 782883739 /nfs/dbraw/zinc/88/37/39/782883739.db2.gz VLCDPMUFCHTICV-UHFFFAOYSA-N 1 0 273.358 -1.264 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)Cn2ncnn2)CC1 ZINC001266262089 775101793 /nfs/dbraw/zinc/10/17/93/775101793.db2.gz BUCAVSFQPKFMOC-UHFFFAOYSA-N 1 0 291.359 -1.570 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCN(C)[C@@H]1CCC(=O)NC1=O ZINC001266275383 775102833 /nfs/dbraw/zinc/10/28/33/775102833.db2.gz XRWJJVSDRBHMCK-WDEREUQCSA-N 1 0 295.339 -1.122 20 30 CAEDRO C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001266272384 775102920 /nfs/dbraw/zinc/10/29/20/775102920.db2.gz UTHPQYYJYDQZQG-ZJUUUORDSA-N 1 0 298.343 -1.167 20 30 CAEDRO C=CCNC(=O)[C@H](C)N(C)CCNC(=O)Cn1ncnn1 ZINC001266275136 775103305 /nfs/dbraw/zinc/10/33/05/775103305.db2.gz OMEXBQQBLOKXOQ-JTQLQIEISA-N 1 0 295.347 -1.588 20 30 CAEDRO C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001266272381 775103452 /nfs/dbraw/zinc/10/34/52/775103452.db2.gz UTHPQYYJYDQZQG-NXEZZACHSA-N 1 0 298.343 -1.167 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCN(C)[C@@H]1CCC(=O)NC1=O ZINC001266275380 775103500 /nfs/dbraw/zinc/10/35/00/775103500.db2.gz XRWJJVSDRBHMCK-GHMZBOCLSA-N 1 0 295.339 -1.122 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001266280525 775104924 /nfs/dbraw/zinc/10/49/24/775104924.db2.gz IRMQFTMQVGJNFB-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001266288301 775107319 /nfs/dbraw/zinc/10/73/19/775107319.db2.gz FEBOIUXJTYGJEO-UHFFFAOYSA-N 1 0 268.317 -2.080 20 30 CAEDRO C=CC[N@@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001266329852 775117295 /nfs/dbraw/zinc/11/72/95/775117295.db2.gz KAHIZLWLBNHPQB-UHFFFAOYSA-N 1 0 278.378 -1.384 20 30 CAEDRO CC#CC[N@H+](CC)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001266419972 775129452 /nfs/dbraw/zinc/12/94/52/775129452.db2.gz BPZDMTFPJMFBNE-LBPRGKRZSA-N 1 0 296.371 -1.172 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001266421351 775129939 /nfs/dbraw/zinc/12/99/39/775129939.db2.gz UTNSTOOEURXQGR-UHFFFAOYSA-N 1 0 292.339 -1.231 20 30 CAEDRO Cc1ncoc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125325662 775130682 /nfs/dbraw/zinc/13/06/82/775130682.db2.gz KSYHFCVPMPLYCT-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CN1C(=O)CNC1=O ZINC001266434684 775131813 /nfs/dbraw/zinc/13/18/13/775131813.db2.gz KFDDBLFGPASZCX-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001206892093 775133055 /nfs/dbraw/zinc/13/30/55/775133055.db2.gz WSEPUCCUQZCCQC-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001266464680 775135418 /nfs/dbraw/zinc/13/54/18/775135418.db2.gz FWRWNJKWCSZLRJ-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001125370409 775137511 /nfs/dbraw/zinc/13/75/11/775137511.db2.gz NOWZWFCQAWBZRL-UHFFFAOYSA-N 1 0 278.272 -1.599 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001100454950 775139186 /nfs/dbraw/zinc/13/91/86/775139186.db2.gz UNDVIGCYTXVPOC-UHFFFAOYSA-N 1 0 294.355 -1.644 20 30 CAEDRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266515124 775139425 /nfs/dbraw/zinc/13/94/25/775139425.db2.gz NBOGVQVRNYOTNH-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001266514189 775139611 /nfs/dbraw/zinc/13/96/11/775139611.db2.gz NIANWTZZNPXNQR-QWRGUYRKSA-N 1 0 267.329 -1.052 20 30 CAEDRO Cn1[nH]c(CNCCNC(=O)c2cc(C#N)c[nH]2)nc1=O ZINC001125391293 775140469 /nfs/dbraw/zinc/14/04/69/775140469.db2.gz XJVYUNGBHWOBLC-UHFFFAOYSA-N 1 0 289.299 -1.172 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001266545071 775142605 /nfs/dbraw/zinc/14/26/05/775142605.db2.gz DZJOOMRSTLFNKD-VHSXEESVSA-N 1 0 250.302 -1.118 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001266545070 775142624 /nfs/dbraw/zinc/14/26/24/775142624.db2.gz DZJOOMRSTLFNKD-UWVGGRQHSA-N 1 0 250.302 -1.118 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266542138 775143151 /nfs/dbraw/zinc/14/31/51/775143151.db2.gz HRKZMQIUQCIBSB-LBPRGKRZSA-N 1 0 278.356 -1.368 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001266565562 775143712 /nfs/dbraw/zinc/14/37/12/775143712.db2.gz DJKNSTCMAJLAIK-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001266578447 775146625 /nfs/dbraw/zinc/14/66/25/775146625.db2.gz WCCDMBDUIMFAJX-IJLUTSLNSA-N 1 0 295.339 -1.612 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]cn1 ZINC001167355347 775147111 /nfs/dbraw/zinc/14/71/11/775147111.db2.gz CLVZPFKQIFYJLD-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001266593514 775148292 /nfs/dbraw/zinc/14/82/92/775148292.db2.gz MOHLDPDHIPJWJQ-KYZUINATSA-N 1 0 292.303 -2.450 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001266593723 775148355 /nfs/dbraw/zinc/14/83/55/775148355.db2.gz UAGXWLPQYJKTBE-GUBZILKMSA-N 1 0 296.327 -1.544 20 30 CAEDRO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001266589113 775148847 /nfs/dbraw/zinc/14/88/47/775148847.db2.gz MIHLSHBOWRKXOP-KYZUINATSA-N 1 0 291.315 -1.695 20 30 CAEDRO CNC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266598100 775150653 /nfs/dbraw/zinc/15/06/53/775150653.db2.gz LWCMWAHHFHXRFV-KYZUINATSA-N 1 0 296.331 -2.208 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001266604095 775151531 /nfs/dbraw/zinc/15/15/31/775151531.db2.gz PMQVFZGMGCGCPF-KYZUINATSA-N 1 0 278.316 -1.043 20 30 CAEDRO C#CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)C1CC1 ZINC001266619479 775154505 /nfs/dbraw/zinc/15/45/05/775154505.db2.gz OMIPMVVVLCDDFK-UHFFFAOYSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167422279 775154712 /nfs/dbraw/zinc/15/47/12/775154712.db2.gz QBQYFHUAIREDTG-UHFFFAOYSA-N 1 0 290.389 -1.498 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114943122 775155030 /nfs/dbraw/zinc/15/50/30/775155030.db2.gz SGKUAFKOFAWTIO-URLYPYJESA-N 1 0 299.396 -1.006 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001266619893 775155256 /nfs/dbraw/zinc/15/52/56/775155256.db2.gz DVFKGKOPQMLUSZ-IJLUTSLNSA-N 1 0 297.355 -1.366 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCOC1 ZINC001266654416 775156797 /nfs/dbraw/zinc/15/67/97/775156797.db2.gz CPYFWOWGOPTUBW-JTQLQIEISA-N 1 0 268.317 -1.289 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cnsn1 ZINC001266648664 775157016 /nfs/dbraw/zinc/15/70/16/775157016.db2.gz IHAXAPUVBOQBHB-UHFFFAOYSA-N 1 0 282.329 -1.161 20 30 CAEDRO Cc1ccnn1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167435591 775157119 /nfs/dbraw/zinc/15/71/19/775157119.db2.gz GMVCQOKGSNTQNY-UHFFFAOYSA-N 1 0 292.343 -1.073 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266662044 775159494 /nfs/dbraw/zinc/15/94/94/775159494.db2.gz JSBACNOBOYSLFU-SECBINFHSA-N 1 0 251.290 -1.166 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266690855 775161812 /nfs/dbraw/zinc/16/18/12/775161812.db2.gz SZMBMSHSBGUEMF-AEJSXWLSSA-N 1 0 278.312 -1.155 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001266681834 775162315 /nfs/dbraw/zinc/16/23/15/775162315.db2.gz FFTCIFNUZZBSSZ-VIFPVBQESA-N 1 0 283.332 -2.159 20 30 CAEDRO C#CCOCCC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001266696827 775163639 /nfs/dbraw/zinc/16/36/39/775163639.db2.gz TYOQNXQGSFXJHZ-JTQLQIEISA-N 1 0 298.343 -1.342 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001266697562 775164015 /nfs/dbraw/zinc/16/40/15/775164015.db2.gz XWXXUPMXHJZAHE-LPEHRKFASA-N 1 0 290.327 -1.207 20 30 CAEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266701541 775164222 /nfs/dbraw/zinc/16/42/22/775164222.db2.gz WPMOJZSUBCQSAL-AOOOYVTPSA-N 1 0 290.389 -1.147 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CCS(=O)(=O)NC ZINC001266699950 775164294 /nfs/dbraw/zinc/16/42/94/775164294.db2.gz UNMHMGSQYFPZQC-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO CNC(=O)NCC(=O)N(C)CC[NH2+]CC#CCOC ZINC001266718086 775165211 /nfs/dbraw/zinc/16/52/11/775165211.db2.gz BCEJZDWBYNAXLS-UHFFFAOYSA-N 1 0 270.333 -1.387 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001266718858 775166186 /nfs/dbraw/zinc/16/61/86/775166186.db2.gz HCRRCKAPXBADRM-LPEHRKFASA-N 1 0 290.327 -1.207 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001266728630 775166463 /nfs/dbraw/zinc/16/64/63/775166463.db2.gz FBQPXPSGVSJQRD-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(N)=O ZINC001266728812 775166697 /nfs/dbraw/zinc/16/66/97/775166697.db2.gz MDGAUYQSGBRHPE-NSHDSACASA-N 1 0 266.345 -1.383 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001283101030 775166805 /nfs/dbraw/zinc/16/68/05/775166805.db2.gz CKAFRJXVPLONRN-XYPYZODXSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266785139 775171992 /nfs/dbraw/zinc/17/19/92/775171992.db2.gz HCRAUDKXQWJCPV-VIFPVBQESA-N 1 0 287.341 -2.419 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001266822026 775174993 /nfs/dbraw/zinc/17/49/93/775174993.db2.gz JCADVVYYJHQKHX-UHFFFAOYSA-N 1 0 282.344 -1.398 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001266822208 775175243 /nfs/dbraw/zinc/17/52/43/775175243.db2.gz PVUXDQKSPFNJPN-VIFPVBQESA-N 1 0 281.316 -2.535 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cnn(C)n1 ZINC001266888632 775179705 /nfs/dbraw/zinc/17/97/05/775179705.db2.gz UQDPNDOLQYIDMM-JTQLQIEISA-N 1 0 292.343 -1.385 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(N)=O)C1 ZINC001266892729 775181797 /nfs/dbraw/zinc/18/17/97/775181797.db2.gz ABRGZELXKUABKH-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266900209 775181917 /nfs/dbraw/zinc/18/19/17/775181917.db2.gz REJRMHMZEGZREG-DSPMHBFJSA-N 1 0 290.323 -1.002 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(N)=O)C1 ZINC001266892730 775182068 /nfs/dbraw/zinc/18/20/68/775182068.db2.gz ABRGZELXKUABKH-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266900212 775182472 /nfs/dbraw/zinc/18/24/72/775182472.db2.gz REJRMHMZEGZREG-GOVZDWNOSA-N 1 0 290.323 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)OC ZINC001266925305 775183707 /nfs/dbraw/zinc/18/37/07/775183707.db2.gz HARWVQZVWRCXJE-ZJUUUORDSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)OC ZINC001266925302 775183840 /nfs/dbraw/zinc/18/38/40/775183840.db2.gz HARWVQZVWRCXJE-NXEZZACHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001266928709 775184348 /nfs/dbraw/zinc/18/43/48/775184348.db2.gz WNCFZVADYNOYCB-NXEZZACHSA-N 1 0 282.344 -1.339 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CNC(C)=O ZINC001266920380 775185102 /nfs/dbraw/zinc/18/51/02/775185102.db2.gz VAMLWEVDIUFXCA-VIFPVBQESA-N 1 0 268.317 -2.034 20 30 CAEDRO C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001266932584 775185827 /nfs/dbraw/zinc/18/58/27/775185827.db2.gz HOLOPPUTAWXGSV-UWVGGRQHSA-N 1 0 296.327 -1.326 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)n1cncn1 ZINC001266933935 775185851 /nfs/dbraw/zinc/18/58/51/775185851.db2.gz RXJIMNBFYKBXLW-QWRGUYRKSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cncnc1 ZINC001266932854 775186395 /nfs/dbraw/zinc/18/63/95/775186395.db2.gz KMCFNQIAAORVCN-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1ncnn1 ZINC001266939480 775186181 /nfs/dbraw/zinc/18/61/81/775186181.db2.gz JBOLHCDEDVYPKV-NXEZZACHSA-N 1 0 293.331 -2.095 20 30 CAEDRO C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001266932589 775186533 /nfs/dbraw/zinc/18/65/33/775186533.db2.gz HOLOPPUTAWXGSV-ZJUUUORDSA-N 1 0 296.327 -1.326 20 30 CAEDRO C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001266932587 775186726 /nfs/dbraw/zinc/18/67/26/775186726.db2.gz HOLOPPUTAWXGSV-VHSXEESVSA-N 1 0 296.327 -1.326 20 30 CAEDRO CCn1ncc(C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001266935936 775186775 /nfs/dbraw/zinc/18/67/75/775186775.db2.gz ORMPHVOVDVDLIR-SECBINFHSA-N 1 0 293.331 -1.354 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1ncnn1 ZINC001266939482 775186824 /nfs/dbraw/zinc/18/68/24/775186824.db2.gz JBOLHCDEDVYPKV-VHSXEESVSA-N 1 0 293.331 -2.095 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)n1cncn1 ZINC001266933934 775186840 /nfs/dbraw/zinc/18/68/40/775186840.db2.gz RXJIMNBFYKBXLW-MNOVXSKESA-N 1 0 292.343 -1.317 20 30 CAEDRO C[C@H](CNC(=O)c1cn[nH]n1)[NH2+]CC(=O)NCC#N ZINC001266949111 775188029 /nfs/dbraw/zinc/18/80/29/775188029.db2.gz CAMKKPXQVASUCI-SSDOTTSWSA-N 1 0 265.277 -1.848 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001266947820 775188285 /nfs/dbraw/zinc/18/82/85/775188285.db2.gz JPJDPHIQHKHMOW-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C[C@H](CNC(=O)c1cn[nH]c(=O)c1)[NH2+]CC(=O)NCC#N ZINC001266946962 775188414 /nfs/dbraw/zinc/18/84/14/775188414.db2.gz YAPIPQZEBZOLNV-MRVPVSSYSA-N 1 0 292.299 -1.470 20 30 CAEDRO C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]CC(=O)NCC#N ZINC001266964307 775188884 /nfs/dbraw/zinc/18/88/84/775188884.db2.gz LYPOTZBPTQQXDA-VHSXEESVSA-N 1 0 295.343 -1.801 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C(N)=O ZINC001266966707 775189914 /nfs/dbraw/zinc/18/99/14/775189914.db2.gz AYHRWYOUWJGJQV-HTQZYQBOSA-N 1 0 254.290 -2.296 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001266964899 775189927 /nfs/dbraw/zinc/18/99/27/775189927.db2.gz RPYPBQPZRKUHMJ-MNOVXSKESA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C(N)=O ZINC001266966710 775189998 /nfs/dbraw/zinc/18/99/98/775189998.db2.gz AYHRWYOUWJGJQV-YUMQZZPRSA-N 1 0 254.290 -2.296 20 30 CAEDRO C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CC(=O)NCC#N ZINC001266964309 775190064 /nfs/dbraw/zinc/19/00/64/775190064.db2.gz LYPOTZBPTQQXDA-ZJUUUORDSA-N 1 0 295.343 -1.801 20 30 CAEDRO C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001266971376 775190171 /nfs/dbraw/zinc/19/01/71/775190171.db2.gz LURMIBQSNJROEH-TVQRCGJNSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(N)=O ZINC001266966708 775190189 /nfs/dbraw/zinc/19/01/89/775190189.db2.gz AYHRWYOUWJGJQV-JGVFFNPUSA-N 1 0 254.290 -2.296 20 30 CAEDRO C[C@H](CNC(=O)CCn1cnnn1)[NH2+]CC(=O)NCC#N ZINC001266981624 775190807 /nfs/dbraw/zinc/19/08/07/775190807.db2.gz NYHGZTJWHKLTJQ-SECBINFHSA-N 1 0 294.319 -2.203 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001266989973 775191041 /nfs/dbraw/zinc/19/10/41/775191041.db2.gz KUBCGAJOYZSLPE-VIFPVBQESA-N 1 0 265.317 -1.382 20 30 CAEDRO Cc1nonc1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266982914 775191454 /nfs/dbraw/zinc/19/14/54/775191454.db2.gz FSDFVTMFJYIXLE-MRVPVSSYSA-N 1 0 294.315 -1.345 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]CC(N)=O)nn1 ZINC001266977418 775191597 /nfs/dbraw/zinc/19/15/97/775191597.db2.gz PUKRPZNZCXLGLS-MRVPVSSYSA-N 1 0 266.305 -1.343 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266976509 775191638 /nfs/dbraw/zinc/19/16/38/775191638.db2.gz WLEGNICREAHRQS-VIFPVBQESA-N 1 0 294.311 -1.475 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266974688 775191696 /nfs/dbraw/zinc/19/16/96/775191696.db2.gz GWUFKJOPBMLXOI-MRVPVSSYSA-N 1 0 282.300 -1.313 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](C)[NH2+]CC(N)=O)nn1 ZINC001266977419 775191869 /nfs/dbraw/zinc/19/18/69/775191869.db2.gz PUKRPZNZCXLGLS-QMMMGPOBSA-N 1 0 266.305 -1.343 20 30 CAEDRO C[C@H](CNC(=O)c1ncccn1)[NH2+]CC(=O)NCC#N ZINC001266979477 775191958 /nfs/dbraw/zinc/19/19/58/775191958.db2.gz HRTBPFVVOGPTCN-SECBINFHSA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCn1cnnn1 ZINC001266981812 775192031 /nfs/dbraw/zinc/19/20/31/775192031.db2.gz RJBFINZERBFEOS-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1nnc[nH]1 ZINC001266978831 775192258 /nfs/dbraw/zinc/19/22/58/775192258.db2.gz BJXHRDAQSYXKPP-MRVPVSSYSA-N 1 0 264.289 -1.738 20 30 CAEDRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001267008760 775193256 /nfs/dbraw/zinc/19/32/56/775193256.db2.gz CQVSLPISUFWLKD-VIFPVBQESA-N 1 0 291.315 -1.741 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001267008985 775193547 /nfs/dbraw/zinc/19/35/47/775193547.db2.gz LUULNANZJRRJIS-QWRGUYRKSA-N 1 0 282.344 -1.117 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267006360 775193928 /nfs/dbraw/zinc/19/39/28/775193928.db2.gz IELHQQDLXXJRHG-ZJUUUORDSA-N 1 0 263.301 -1.024 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267016556 775195051 /nfs/dbraw/zinc/19/50/51/775195051.db2.gz XHJRLIXOZLEJLV-UWVGGRQHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001267016119 775195726 /nfs/dbraw/zinc/19/57/26/775195726.db2.gz JGPQIVHGJWRMBE-JTQLQIEISA-N 1 0 294.355 -1.255 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267040676 775196676 /nfs/dbraw/zinc/19/66/76/775196676.db2.gz TWZUDOZTKVAILM-UHFFFAOYSA-N 1 0 252.274 -1.781 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)OCCOC ZINC001167547357 775199872 /nfs/dbraw/zinc/19/98/72/775199872.db2.gz WIGDOYNTCDCION-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001267116911 775201966 /nfs/dbraw/zinc/20/19/66/775201966.db2.gz JOZNPEJSOGLRHE-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001167567513 775202201 /nfs/dbraw/zinc/20/22/01/775202201.db2.gz CKJVVYQOXUDMFB-UHFFFAOYSA-N 1 0 280.284 -1.864 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001267117367 775202514 /nfs/dbraw/zinc/20/25/14/775202514.db2.gz RMAWHVSRKSGKMS-UHFFFAOYSA-N 1 0 264.289 -1.942 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001267133363 775203661 /nfs/dbraw/zinc/20/36/61/775203661.db2.gz FBPGAUMHTKIHPT-SNVBAGLBSA-N 1 0 265.317 -1.301 20 30 CAEDRO Cc1nn[nH]c1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001267139055 775204032 /nfs/dbraw/zinc/20/40/32/775204032.db2.gz DMQUOBDEUNOTJS-QMMMGPOBSA-N 1 0 293.331 -1.149 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001283406416 775204151 /nfs/dbraw/zinc/20/41/51/775204151.db2.gz DSMTXRGIWUVXEB-MNOVXSKESA-N 1 0 267.329 -1.194 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001267153564 775205479 /nfs/dbraw/zinc/20/54/79/775205479.db2.gz LLMNJQZSLGFXRS-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001267156044 775205620 /nfs/dbraw/zinc/20/56/20/775205620.db2.gz XVCJWCIBEMFRKN-ZJUUUORDSA-N 1 0 273.358 -1.204 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267156041 775206018 /nfs/dbraw/zinc/20/60/18/775206018.db2.gz XVCJWCIBEMFRKN-NXEZZACHSA-N 1 0 273.358 -1.204 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615720 775206358 /nfs/dbraw/zinc/20/63/58/775206358.db2.gz RYCIWFTUJRBVCB-SECBINFHSA-N 1 0 281.316 -2.142 20 30 CAEDRO C[C@@H](CCNC(=O)c1cnon1)[NH2+]CC(=O)NCC#N ZINC001267147666 775206444 /nfs/dbraw/zinc/20/64/44/775206444.db2.gz KZDGIWGQYYBIOQ-QMMMGPOBSA-N 1 0 280.288 -1.193 20 30 CAEDRO C[C@H](CCNC(=O)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001267144355 775206537 /nfs/dbraw/zinc/20/65/37/775206537.db2.gz XEWRPMJXCLUJNP-SSDOTTSWSA-N 1 0 255.278 -2.404 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125616003 775207794 /nfs/dbraw/zinc/20/77/94/775207794.db2.gz XQPKQZRCRJDGBC-SNVBAGLBSA-N 1 0 282.344 -1.479 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125625121 775208253 /nfs/dbraw/zinc/20/82/53/775208253.db2.gz OJAJAKYFYZBQIZ-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125625122 775208556 /nfs/dbraw/zinc/20/85/56/775208556.db2.gz OJAJAKYFYZBQIZ-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125630828 775210721 /nfs/dbraw/zinc/21/07/21/775210721.db2.gz NVWMHUFGLYIJGX-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001267199093 775213432 /nfs/dbraw/zinc/21/34/32/775213432.db2.gz GKEDVFPVURAVBG-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CCn1ncn(C)c1=O ZINC001267209875 775214747 /nfs/dbraw/zinc/21/47/47/775214747.db2.gz PKMLIXYOUZMDNY-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C=CCOCC(=O)NC[C@H]1CCCN1CC(=O)NC(N)=O ZINC001267263722 775220420 /nfs/dbraw/zinc/22/04/20/775220420.db2.gz LXUOCFXZAKPRSG-SNVBAGLBSA-N 1 0 298.343 -1.036 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125676859 775223374 /nfs/dbraw/zinc/22/33/74/775223374.db2.gz WHCCWRYZECFCJO-SECBINFHSA-N 1 0 282.300 -1.715 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001267283743 775225250 /nfs/dbraw/zinc/22/52/50/775225250.db2.gz ZYRUKHSSWQJCIP-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001267283744 775225945 /nfs/dbraw/zinc/22/59/45/775225945.db2.gz ZYRUKHSSWQJCIP-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001267304616 775227246 /nfs/dbraw/zinc/22/72/46/775227246.db2.gz ABHVOSHXPPJBNS-GFCCVEGCSA-N 1 0 291.355 -1.038 20 30 CAEDRO C#CCNC(=O)[C@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405304683 775229682 /nfs/dbraw/zinc/22/96/82/775229682.db2.gz LMDXDUOWHAZDEJ-SDDRHHMPSA-N 1 0 251.330 -1.125 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125695421 775229813 /nfs/dbraw/zinc/22/98/13/775229813.db2.gz MGBPYHIPAZURMG-MNOVXSKESA-N 1 0 295.339 -1.217 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125695420 775230145 /nfs/dbraw/zinc/23/01/45/775230145.db2.gz MGBPYHIPAZURMG-GHMZBOCLSA-N 1 0 295.339 -1.217 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125695422 775230855 /nfs/dbraw/zinc/23/08/55/775230855.db2.gz MGBPYHIPAZURMG-QWRGUYRKSA-N 1 0 295.339 -1.217 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cc[nH]n1 ZINC001279660344 775231730 /nfs/dbraw/zinc/23/17/30/775231730.db2.gz HXETVZFXQJANFH-UHFFFAOYSA-N 1 0 294.315 -1.926 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001267355068 775234488 /nfs/dbraw/zinc/23/44/88/775234488.db2.gz HCLZFCXQWZRHBG-SSDOTTSWSA-N 1 0 255.278 -1.611 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CN1CCOCC1 ZINC001267364401 775235191 /nfs/dbraw/zinc/23/51/91/775235191.db2.gz CXOJAEMJVUPCJI-UHFFFAOYSA-N 1 0 297.359 -1.994 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267372794 775237097 /nfs/dbraw/zinc/23/70/97/775237097.db2.gz YNOPTBZHQYDCIN-MNOVXSKESA-N 1 0 295.339 -1.122 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CNC(=O)NC ZINC001267379460 775237334 /nfs/dbraw/zinc/23/73/34/775237334.db2.gz FGKYSXBJGYLOMJ-JTQLQIEISA-N 1 0 297.359 -1.899 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001267375128 775237444 /nfs/dbraw/zinc/23/74/44/775237444.db2.gz VTMJBQGBZIQJGU-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267372793 775237520 /nfs/dbraw/zinc/23/75/20/775237520.db2.gz YNOPTBZHQYDCIN-GHMZBOCLSA-N 1 0 295.339 -1.122 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001267380330 775239253 /nfs/dbraw/zinc/23/92/53/775239253.db2.gz IGJOTMNMJLXBCN-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)ncn1 ZINC001125761446 775240819 /nfs/dbraw/zinc/24/08/19/775240819.db2.gz KEWYWQVZIUPCQN-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cn[nH]n1 ZINC001267394896 775240996 /nfs/dbraw/zinc/24/09/96/775240996.db2.gz HPTNBMOLQGHTGD-UHFFFAOYSA-N 1 0 265.277 -1.894 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001267395796 775241160 /nfs/dbraw/zinc/24/11/60/775241160.db2.gz VKLOQBFQJDWMLH-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cn[nH]n1 ZINC001267395721 775241248 /nfs/dbraw/zinc/24/12/48/775241248.db2.gz ZLNIERWZQXYBEP-UHFFFAOYSA-N 1 0 266.305 -1.232 20 30 CAEDRO C=CC[NH2+]CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001267396613 775241397 /nfs/dbraw/zinc/24/13/97/775241397.db2.gz XRLOJMHOYZAMBK-UHFFFAOYSA-N 1 0 268.361 -1.006 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001267413127 775241844 /nfs/dbraw/zinc/24/18/44/775241844.db2.gz WICJAUKHPVMHSB-UHFFFAOYSA-N 1 0 296.371 -1.884 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)ncn1 ZINC001125762747 775242735 /nfs/dbraw/zinc/24/27/35/775242735.db2.gz VZLVDSUFNJXNEJ-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC(=O)N1C ZINC001267419105 775242887 /nfs/dbraw/zinc/24/28/87/775242887.db2.gz ICNYUVABJFDCOX-SNVBAGLBSA-N 1 0 295.343 -1.705 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001267408969 775242941 /nfs/dbraw/zinc/24/29/41/775242941.db2.gz OPKAIORUMLHJOH-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C=C(C)C[NH2+]CCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001267437377 775245712 /nfs/dbraw/zinc/24/57/12/775245712.db2.gz RSGMMAICGALFIV-NSHDSACASA-N 1 0 284.360 -1.009 20 30 CAEDRO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]CC#CCOC ZINC001267469759 775249133 /nfs/dbraw/zinc/24/91/33/775249133.db2.gz AFMGNUNNQQUOQR-UHFFFAOYSA-N 1 0 291.373 -1.767 20 30 CAEDRO C#CCN1C[C@H]2OCCN(C(=O)Cn3cncn3)[C@H]2C1 ZINC001083266576 775250232 /nfs/dbraw/zinc/25/02/32/775250232.db2.gz FNPVFFDLJTWUKK-NWDGAFQWSA-N 1 0 275.312 -1.177 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703887 775258876 /nfs/dbraw/zinc/25/88/76/775258876.db2.gz OYRUSLJVKPFXAK-NSHDSACASA-N 1 0 282.344 -1.514 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703858 775259504 /nfs/dbraw/zinc/25/95/04/775259504.db2.gz NUKFPTAIUHAYSK-NSHDSACASA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104612334 775262759 /nfs/dbraw/zinc/26/27/59/775262759.db2.gz XDVTYXJOOKOIBD-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001104614859 775263213 /nfs/dbraw/zinc/26/32/13/775263213.db2.gz USGGORUGTFKKHF-GHMZBOCLSA-N 1 0 296.371 -1.152 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218518519 775273092 /nfs/dbraw/zinc/27/30/92/775273092.db2.gz QZXFUWYLTPFFJB-ZCFIWIBFSA-N 1 0 283.292 -1.478 20 30 CAEDRO C[C@@H]1[C@H](C(=O)NC2CN(CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267647216 775278822 /nfs/dbraw/zinc/27/88/22/775278822.db2.gz QNNKODFKPYDYMG-ZYHUDNBSSA-N 1 0 293.371 -1.233 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001283734381 775281282 /nfs/dbraw/zinc/28/12/82/775281282.db2.gz VGBZGZPMNFUKGK-VIFPVBQESA-N 1 0 252.278 -2.237 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)NC2CN(CC(=O)NCC#N)C2)C1 ZINC001267670101 775281688 /nfs/dbraw/zinc/28/16/88/775281688.db2.gz NCMJAJVYGXYLEA-SNVBAGLBSA-N 1 0 279.344 -1.622 20 30 CAEDRO Cc1occc1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283735447 775282200 /nfs/dbraw/zinc/28/22/00/775282200.db2.gz ZAFCSTSFWQLZAA-SNVBAGLBSA-N 1 0 294.311 -1.092 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)NC2CN(CC(=O)NCC#N)C2)C1 ZINC001267670099 775282247 /nfs/dbraw/zinc/28/22/47/775282247.db2.gz NCMJAJVYGXYLEA-JTQLQIEISA-N 1 0 279.344 -1.622 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001267682252 775283895 /nfs/dbraw/zinc/28/38/95/775283895.db2.gz KAIDYFSUBOZFLD-UHFFFAOYSA-N 1 0 279.340 -1.084 20 30 CAEDRO C#CCNC(=O)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267678492 775284040 /nfs/dbraw/zinc/28/40/40/775284040.db2.gz FANKXJFZLKGDDF-ZDUSSCGKSA-N 1 0 292.383 -1.122 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001283743273 775285333 /nfs/dbraw/zinc/28/53/33/775285333.db2.gz ACMVFUMTGZVIMR-NXEZZACHSA-N 1 0 255.318 -1.092 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001283743997 775285753 /nfs/dbraw/zinc/28/57/53/775285753.db2.gz JNDMEMGLWCZOJR-JTQLQIEISA-N 1 0 281.316 -1.855 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001283744005 775286197 /nfs/dbraw/zinc/28/61/97/775286197.db2.gz JNDMEMGLWCZOJR-SNVBAGLBSA-N 1 0 281.316 -1.855 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283746688 775287608 /nfs/dbraw/zinc/28/76/08/775287608.db2.gz YNGGJPKCMNCNIL-BXUZGUMPSA-N 1 0 299.371 -1.388 20 30 CAEDRO C=C(C)C[NH+]1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001267695004 775287811 /nfs/dbraw/zinc/28/78/11/775287811.db2.gz WTVJTTOILZVOKW-LBPRGKRZSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267695740 775287872 /nfs/dbraw/zinc/28/78/72/775287872.db2.gz GKKLKWPFBDAUTQ-UHFFFAOYSA-N 1 0 292.339 -1.048 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)COC(C)(C)C ZINC001283745380 775287995 /nfs/dbraw/zinc/28/79/95/775287995.db2.gz QGZSHBOLIXLPLH-LLVKDONJSA-N 1 0 299.371 -1.382 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283746694 775288013 /nfs/dbraw/zinc/28/80/13/775288013.db2.gz YNGGJPKCMNCNIL-SMDDNHRTSA-N 1 0 299.371 -1.388 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283746690 775288207 /nfs/dbraw/zinc/28/82/07/775288207.db2.gz YNGGJPKCMNCNIL-FZMZJTMJSA-N 1 0 299.371 -1.388 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001100767718 775288515 /nfs/dbraw/zinc/28/85/15/775288515.db2.gz AEUNNJMXCFCEPQ-UHFFFAOYSA-N 1 0 290.327 -1.348 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001267730684 775291220 /nfs/dbraw/zinc/29/12/20/775291220.db2.gz VOTBBWYCSWWITM-JTQLQIEISA-N 1 0 273.358 -1.121 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267727600 775291580 /nfs/dbraw/zinc/29/15/80/775291580.db2.gz JRJZBNHXTSIQMQ-JTQLQIEISA-N 1 0 290.327 -1.333 20 30 CAEDRO C#CCN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149135967 775296006 /nfs/dbraw/zinc/29/60/06/775296006.db2.gz BOPZIYDTLCFBLX-NSHDSACASA-N 1 0 278.316 -1.487 20 30 CAEDRO N#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001267747194 775296237 /nfs/dbraw/zinc/29/62/37/775296237.db2.gz OEPWWARFINSJOS-NXEZZACHSA-N 1 0 293.327 -2.047 20 30 CAEDRO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267747529 775297615 /nfs/dbraw/zinc/29/76/15/775297615.db2.gz XPMBTGSKXOAIID-VHSXEESVSA-N 1 0 295.343 -1.672 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125891093 775300479 /nfs/dbraw/zinc/30/04/79/775300479.db2.gz OAAXAIWCCQMCRQ-UHFFFAOYSA-N 1 0 284.360 -1.673 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O)nn1 ZINC001283812012 775301081 /nfs/dbraw/zinc/30/10/81/775301081.db2.gz CMBTUZKNHNGWDR-UWVGGRQHSA-N 1 0 283.332 -1.475 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)O)nn1 ZINC001283812014 775301181 /nfs/dbraw/zinc/30/11/81/775301181.db2.gz CMBTUZKNHNGWDR-VHSXEESVSA-N 1 0 283.332 -1.475 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001283815844 775301702 /nfs/dbraw/zinc/30/17/02/775301702.db2.gz GYGAWROSRSGCEG-ZETCQYMHSA-N 1 0 298.299 -1.237 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)COC ZINC001267795539 775302851 /nfs/dbraw/zinc/30/28/51/775302851.db2.gz YWADRSWYIQMULA-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO CC[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[NH2+]CC(=O)NCC#N ZINC001267793753 775303909 /nfs/dbraw/zinc/30/39/09/775303909.db2.gz PTEHWNXVURQLFI-KOLCDFICSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)COC ZINC001267795540 775304628 /nfs/dbraw/zinc/30/46/28/775304628.db2.gz YWADRSWYIQMULA-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C=CCN1CC[C@H](N2C[C@@H](NC(C)=O)[C@@H](O)C2)C1=O ZINC001083296261 775305941 /nfs/dbraw/zinc/30/59/41/775305941.db2.gz HTAYIFHLUPUJDB-WOPDTQHZSA-N 1 0 267.329 -1.046 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001125925692 775315434 /nfs/dbraw/zinc/31/54/34/775315434.db2.gz LEWRUMZHNIDNMD-SECBINFHSA-N 1 0 279.304 -1.815 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001125925693 775315756 /nfs/dbraw/zinc/31/57/56/775315756.db2.gz LEWRUMZHNIDNMD-VIFPVBQESA-N 1 0 279.304 -1.815 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001267963750 775319461 /nfs/dbraw/zinc/31/94/61/775319461.db2.gz BOWYCAJBAMSXQS-NXEZZACHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945750 775322222 /nfs/dbraw/zinc/32/22/22/775322222.db2.gz OBOAMZVHHCKJDR-NEPJUHHUSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125945752 775322303 /nfs/dbraw/zinc/32/23/03/775322303.db2.gz OBOAMZVHHCKJDR-RYUDHWBXSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CNC(C)=O ZINC001267975719 775323384 /nfs/dbraw/zinc/32/33/84/775323384.db2.gz CSXHPPJKGXSVFI-SNVBAGLBSA-N 1 0 282.344 -1.786 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001267989640 775323767 /nfs/dbraw/zinc/32/37/67/775323767.db2.gz FAMGPHKXDRKKNG-SNVBAGLBSA-N 1 0 282.344 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001267990065 775324590 /nfs/dbraw/zinc/32/45/90/775324590.db2.gz CYCAEGINRRYRMK-SNVBAGLBSA-N 1 0 296.371 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001267990045 775325358 /nfs/dbraw/zinc/32/53/58/775325358.db2.gz CYCAEGINRRYRMK-JTQLQIEISA-N 1 0 296.371 -1.411 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)C[NH2+]CC(=O)NCC#N ZINC001268000480 775326431 /nfs/dbraw/zinc/32/64/31/775326431.db2.gz ZPGCFDOWARVSLX-NXEZZACHSA-N 1 0 295.343 -1.896 20 30 CAEDRO C[C@H](CNC(=O)[C@H]1CCNC1=O)C[NH2+]CC(=O)NCC#N ZINC001268000482 775326977 /nfs/dbraw/zinc/32/69/77/775326977.db2.gz ZPGCFDOWARVSLX-UWVGGRQHSA-N 1 0 295.343 -1.896 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268006194 775329306 /nfs/dbraw/zinc/32/93/06/775329306.db2.gz XQAIIYZSCUOXFR-KOLCDFICSA-N 1 0 282.344 -1.658 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001268005269 775329330 /nfs/dbraw/zinc/32/93/30/775329330.db2.gz RPZMQZQLRGGQMJ-ZJUUUORDSA-N 1 0 275.374 -1.101 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001268005266 775329406 /nfs/dbraw/zinc/32/94/06/775329406.db2.gz RPZMQZQLRGGQMJ-NXEZZACHSA-N 1 0 275.374 -1.101 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268006195 775329459 /nfs/dbraw/zinc/32/94/59/775329459.db2.gz XQAIIYZSCUOXFR-ONGXEEELSA-N 1 0 282.344 -1.658 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001125977718 775331882 /nfs/dbraw/zinc/33/18/82/775331882.db2.gz DXJJIOXUOFTSKR-UHFFFAOYSA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NCC#C ZINC001125978763 775332067 /nfs/dbraw/zinc/33/20/67/775332067.db2.gz XIWPUMKHIFPGFN-UHFFFAOYSA-N 1 0 278.312 -2.419 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC ZINC001125978622 775332156 /nfs/dbraw/zinc/33/21/56/775332156.db2.gz VTAAKCIHOZNHTL-UHFFFAOYSA-N 1 0 254.290 -2.422 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001125977834 775332404 /nfs/dbraw/zinc/33/24/04/775332404.db2.gz HDXAEIGQGGRNMU-UHFFFAOYSA-N 1 0 297.315 -2.713 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001125978179 775332856 /nfs/dbraw/zinc/33/28/56/775332856.db2.gz NLDVANPQMOAQDB-UHFFFAOYSA-N 1 0 268.317 -2.080 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001125977654 775332966 /nfs/dbraw/zinc/33/29/66/775332966.db2.gz CJWKBHWQNNGMTC-UHFFFAOYSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001125977827 775333240 /nfs/dbraw/zinc/33/32/40/775333240.db2.gz GZIUDWOTKDQZJJ-UHFFFAOYSA-N 1 0 280.328 -1.936 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001125978456 775333276 /nfs/dbraw/zinc/33/32/76/775333276.db2.gz RSNJETXEWYYSRU-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001125982326 775334198 /nfs/dbraw/zinc/33/41/98/775334198.db2.gz XDZINMDLUMMUQO-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001125982207 775334461 /nfs/dbraw/zinc/33/44/61/775334461.db2.gz SEFHUVCAXXQGIT-QMMMGPOBSA-N 1 0 254.290 -2.295 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001125982325 775334648 /nfs/dbraw/zinc/33/46/48/775334648.db2.gz XDZINMDLUMMUQO-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCOCCOC ZINC001125981758 775334963 /nfs/dbraw/zinc/33/49/63/775334963.db2.gz JDEKAOSXRWVEKX-UHFFFAOYSA-N 1 0 285.344 -1.505 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](C)OC ZINC001125982062 775335052 /nfs/dbraw/zinc/33/50/52/775335052.db2.gz QGKOWKWWOKFNFQ-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCC ZINC001125997535 775335645 /nfs/dbraw/zinc/33/56/45/775335645.db2.gz AQYRWMZJVZZBGJ-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001125997913 775335935 /nfs/dbraw/zinc/33/59/35/775335935.db2.gz GVYQQFORKRNNBY-SECBINFHSA-N 1 0 268.317 -2.034 20 30 CAEDRO N#Cc1cc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c[nH]1 ZINC001125987936 775335949 /nfs/dbraw/zinc/33/59/49/775335949.db2.gz IJLHZXBSWQWXGU-UHFFFAOYSA-N 1 0 278.272 -1.599 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC#C ZINC001125998105 775336041 /nfs/dbraw/zinc/33/60/41/775336041.db2.gz KDMRBWMCOUPJJV-NSHDSACASA-N 1 0 292.339 -2.030 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCC#C ZINC001125998103 775336170 /nfs/dbraw/zinc/33/61/70/775336170.db2.gz KDMRBWMCOUPJJV-LLVKDONJSA-N 1 0 292.339 -2.030 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001125997914 775336262 /nfs/dbraw/zinc/33/62/62/775336262.db2.gz GVYQQFORKRNNBY-VIFPVBQESA-N 1 0 268.317 -2.034 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCC[C@H](C)O ZINC001125998658 775337334 /nfs/dbraw/zinc/33/73/34/775337334.db2.gz SILVBPVJIRCLEM-NSHDSACASA-N 1 0 269.345 -1.007 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC=C ZINC001125998243 775338434 /nfs/dbraw/zinc/33/84/34/775338434.db2.gz NLUNOISYCWAWPB-NSHDSACASA-N 1 0 294.355 -1.478 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001125998452 775338879 /nfs/dbraw/zinc/33/88/79/775338879.db2.gz RERVTGLUFCQPKE-UHFFFAOYSA-N 1 0 278.316 -1.877 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011549 775340448 /nfs/dbraw/zinc/34/04/48/775340448.db2.gz GWGSRBDHLCRPPW-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126021459 775340787 /nfs/dbraw/zinc/34/07/87/775340787.db2.gz MBKGWTWIKWAANP-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011290 775340832 /nfs/dbraw/zinc/34/08/32/775340832.db2.gz BCSCCKLTMFCGEY-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126021806 775342939 /nfs/dbraw/zinc/34/29/39/775342939.db2.gz QBBBBDUSWDHNLQ-UHFFFAOYSA-N 1 0 281.276 -2.671 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126028144 775344100 /nfs/dbraw/zinc/34/41/00/775344100.db2.gz YXHSUZSUCBCCOJ-UHFFFAOYSA-N 1 0 280.288 -2.561 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126087301 775346820 /nfs/dbraw/zinc/34/68/20/775346820.db2.gz XHCADMFBGRAGLU-VIFPVBQESA-N 1 0 292.343 -1.540 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cncnc1 ZINC001126093719 775348971 /nfs/dbraw/zinc/34/89/71/775348971.db2.gz LOGZIRFHJOKIMZ-UHFFFAOYSA-N 1 0 262.273 -1.564 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cncnc1 ZINC001126114870 775350081 /nfs/dbraw/zinc/35/00/81/775350081.db2.gz OSXYBVWBRAGDSC-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(=O)NC ZINC001126161641 775353398 /nfs/dbraw/zinc/35/33/98/775353398.db2.gz QODBERKFHJVPEJ-UHFFFAOYSA-N 1 0 254.290 -2.422 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CC(=O)NC ZINC001126161630 775354332 /nfs/dbraw/zinc/35/43/32/775354332.db2.gz QIVRFJCTLMUUPH-UHFFFAOYSA-N 1 0 297.359 -1.410 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CC(=O)NC)C1=O ZINC001126169258 775355892 /nfs/dbraw/zinc/35/58/92/775355892.db2.gz GAADBWQSYKRASF-JTQLQIEISA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000092492835 775356788 /nfs/dbraw/zinc/35/67/88/775356788.db2.gz DCIFATMQQAOZEQ-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCCC1 ZINC001268037004 775357328 /nfs/dbraw/zinc/35/73/28/775357328.db2.gz FHSCLIICNXDRQN-UHFFFAOYSA-N 1 0 280.328 -1.760 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126194353 775358431 /nfs/dbraw/zinc/35/84/31/775358431.db2.gz HRMORWKBANEGAH-VIFPVBQESA-N 1 0 258.322 -1.048 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126198761 775361261 /nfs/dbraw/zinc/36/12/61/775361261.db2.gz HYAXCOOFXUZDRF-IUCAKERBSA-N 1 0 285.348 -1.560 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1OCCCO1 ZINC001126227871 775365716 /nfs/dbraw/zinc/36/57/16/775365716.db2.gz LPIGNVATDZXMHD-NSHDSACASA-N 1 0 297.355 -1.017 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC1OCCCO1 ZINC001126225234 775366601 /nfs/dbraw/zinc/36/66/01/775366601.db2.gz UPBZXOIVGFNLQR-UHFFFAOYSA-N 1 0 283.328 -1.405 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001268049741 775367349 /nfs/dbraw/zinc/36/73/49/775367349.db2.gz LOQRDJVTWVXRBS-MNOVXSKESA-N 1 0 296.371 -1.303 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126264234 775367863 /nfs/dbraw/zinc/36/78/63/775367863.db2.gz LWAIRCVDZZRDDK-UHFFFAOYSA-N 1 0 279.304 -1.986 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC(=O)N(C)C ZINC001167803053 775368179 /nfs/dbraw/zinc/36/81/79/775368179.db2.gz AIBSMZGBTWPYKV-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)NC(C)=O ZINC001268049740 775368290 /nfs/dbraw/zinc/36/82/90/775368290.db2.gz LOQRDJVTWVXRBS-GHMZBOCLSA-N 1 0 296.371 -1.303 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126264169 775368347 /nfs/dbraw/zinc/36/83/47/775368347.db2.gz JLYYRFHNUXKDPY-UHFFFAOYSA-N 1 0 280.332 -1.324 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnnc(C)c1 ZINC001126250262 775369073 /nfs/dbraw/zinc/36/90/73/775369073.db2.gz HAPJGGJHMJWEBM-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CC(N)=O ZINC001268056573 775370807 /nfs/dbraw/zinc/37/08/07/775370807.db2.gz TUYVYKUSMZPMPZ-QMMMGPOBSA-N 1 0 269.305 -2.062 20 30 CAEDRO CC(=O)N1CC(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001126287568 775371435 /nfs/dbraw/zinc/37/14/35/775371435.db2.gz MMEBVVAXSSMCHH-UHFFFAOYSA-N 1 0 281.316 -2.190 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126287306 775372190 /nfs/dbraw/zinc/37/21/90/775372190.db2.gz FKFUNEQIJPKCBP-UHFFFAOYSA-N 1 0 280.328 -2.080 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001268060272 775372354 /nfs/dbraw/zinc/37/23/54/775372354.db2.gz TZNYKFCMWIUDRJ-UWVGGRQHSA-N 1 0 297.359 -1.771 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001268060273 775372662 /nfs/dbraw/zinc/37/26/62/775372662.db2.gz TZNYKFCMWIUDRJ-ZJUUUORDSA-N 1 0 297.359 -1.771 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001268080846 775373912 /nfs/dbraw/zinc/37/39/12/775373912.db2.gz MSKNEJQJFYASEG-VHSXEESVSA-N 1 0 297.359 -1.594 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001268080845 775374418 /nfs/dbraw/zinc/37/44/18/775374418.db2.gz MSKNEJQJFYASEG-UWVGGRQHSA-N 1 0 297.359 -1.594 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001268077574 775374707 /nfs/dbraw/zinc/37/47/07/775374707.db2.gz NBBQSCJWYQSQCW-NSHDSACASA-N 1 0 266.345 -1.512 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126302135 775378430 /nfs/dbraw/zinc/37/84/30/775378430.db2.gz VJIDYUGRVMQAKQ-SECBINFHSA-N 1 0 294.311 -1.564 20 30 CAEDRO Cn1oc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1=O ZINC001126301877 775378823 /nfs/dbraw/zinc/37/88/23/775378823.db2.gz JRDBPDVDSBABKM-UHFFFAOYSA-N 1 0 281.272 -2.063 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126306324 775378842 /nfs/dbraw/zinc/37/88/42/775378842.db2.gz FEZASMPVKJFWQK-SECBINFHSA-N 1 0 296.327 -1.012 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001268098385 775379062 /nfs/dbraw/zinc/37/90/62/775379062.db2.gz FREIYINNWRQIAR-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126301903 775379320 /nfs/dbraw/zinc/37/93/20/775379320.db2.gz KTRGXDZBLXGBMM-SNVBAGLBSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CNC(=O)CC ZINC001282113502 775381712 /nfs/dbraw/zinc/38/17/12/775381712.db2.gz PBEPQJZXTXYMBK-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CNC(=O)CC ZINC001282113504 775382661 /nfs/dbraw/zinc/38/26/61/775382661.db2.gz PBEPQJZXTXYMBK-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136700 775382699 /nfs/dbraw/zinc/38/26/99/775382699.db2.gz KRRHNWKWMDUMIM-LLVKDONJSA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001268239781 775385894 /nfs/dbraw/zinc/38/58/94/775385894.db2.gz VJNIELCCRSNTGK-UHFFFAOYSA-N 1 0 267.329 -1.131 20 30 CAEDRO C#CCC[N@@H+](C)CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268238245 775386152 /nfs/dbraw/zinc/38/61/52/775386152.db2.gz CNRKOFQUPHBJOH-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO COCC#CC[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001268236996 775387473 /nfs/dbraw/zinc/38/74/73/775387473.db2.gz JGHVDUXEVODWFT-UHFFFAOYSA-N 1 0 280.332 -1.287 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC1 ZINC001268293796 775391178 /nfs/dbraw/zinc/39/11/78/775391178.db2.gz IPNMCBMNJICWBX-JTQLQIEISA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268297626 775392909 /nfs/dbraw/zinc/39/29/09/775392909.db2.gz KKTZHCKESXPNQT-VHSXEESVSA-N 1 0 298.343 -2.285 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268297613 775393046 /nfs/dbraw/zinc/39/30/46/775393046.db2.gz KKTZHCKESXPNQT-NXEZZACHSA-N 1 0 298.343 -2.285 20 30 CAEDRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CSCC#N)C(N)=O ZINC001268296789 775393070 /nfs/dbraw/zinc/39/30/70/775393070.db2.gz CRVOIKSHXGCEPN-JGVFFNPUSA-N 1 0 274.346 -1.816 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnsn1 ZINC001268297729 775393110 /nfs/dbraw/zinc/39/31/10/775393110.db2.gz HFUYGUGJBSRJCY-QMMMGPOBSA-N 1 0 297.340 -2.032 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001268304248 775394533 /nfs/dbraw/zinc/39/45/33/775394533.db2.gz IWIYIUVTHCJJCC-LBPRGKRZSA-N 1 0 277.324 -1.784 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001268300910 775394739 /nfs/dbraw/zinc/39/47/39/775394739.db2.gz KEQVECBRIFUPFW-QWRGUYRKSA-N 1 0 298.343 -1.738 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268304391 775395057 /nfs/dbraw/zinc/39/50/57/775395057.db2.gz KNWOJZIAVHRBIN-SNVBAGLBSA-N 1 0 295.343 -1.666 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001268302502 775395098 /nfs/dbraw/zinc/39/50/98/775395098.db2.gz RYAHLMWGFMQENA-JTQLQIEISA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001268302505 775395218 /nfs/dbraw/zinc/39/52/18/775395218.db2.gz RYAHLMWGFMQENA-SNVBAGLBSA-N 1 0 293.327 -2.150 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001268305456 775395942 /nfs/dbraw/zinc/39/59/42/775395942.db2.gz RMHZDQQENQIUHH-JTQLQIEISA-N 1 0 266.301 -1.260 20 30 CAEDRO CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001268305285 775396095 /nfs/dbraw/zinc/39/60/95/775396095.db2.gz QOOUTYLARUBSPJ-GHMZBOCLSA-N 1 0 267.329 -1.270 20 30 CAEDRO CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C#CC(C)C)C(N)=O ZINC001268305674 775396256 /nfs/dbraw/zinc/39/62/56/775396256.db2.gz SPNRSLUFLVZRDE-MNOVXSKESA-N 1 0 269.345 -1.024 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001268307934 775396276 /nfs/dbraw/zinc/39/62/76/775396276.db2.gz LGJFJQUJLMNVAY-SECBINFHSA-N 1 0 296.331 -1.980 20 30 CAEDRO CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C#CC(C)C)C(N)=O ZINC001268305673 775396485 /nfs/dbraw/zinc/39/64/85/775396485.db2.gz SPNRSLUFLVZRDE-GHMZBOCLSA-N 1 0 269.345 -1.024 20 30 CAEDRO CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C#CC(C)C)C(N)=O ZINC001268305676 775396595 /nfs/dbraw/zinc/39/65/95/775396595.db2.gz SPNRSLUFLVZRDE-WDEREUQCSA-N 1 0 269.345 -1.024 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001268308299 775396867 /nfs/dbraw/zinc/39/68/67/775396867.db2.gz NUWSKHFSFFETFE-VIFPVBQESA-N 1 0 280.332 -1.258 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001268305457 775396882 /nfs/dbraw/zinc/39/68/82/775396882.db2.gz RMHZDQQENQIUHH-SNVBAGLBSA-N 1 0 266.301 -1.260 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001268308271 775397016 /nfs/dbraw/zinc/39/70/16/775397016.db2.gz LGXDYGUQNXYWJK-RISCZKNCSA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC(C)C ZINC001268303870 775397027 /nfs/dbraw/zinc/39/70/27/775397027.db2.gz DYZMUTMESNMRAZ-OLZOCXBDSA-N 1 0 293.367 -1.150 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001268303548 775397050 /nfs/dbraw/zinc/39/70/50/775397050.db2.gz BCRUAEJMIJKQSC-GFCCVEGCSA-N 1 0 279.340 -1.538 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCNC(=O)NC ZINC001268305690 775397159 /nfs/dbraw/zinc/39/71/59/775397159.db2.gz SRGDDSMQZUQYRM-SNVBAGLBSA-N 1 0 270.333 -1.605 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268309583 775397632 /nfs/dbraw/zinc/39/76/32/775397632.db2.gz VYOVRVSIPQWUKQ-SFYZADRCSA-N 1 0 270.289 -2.163 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001268306069 775397712 /nfs/dbraw/zinc/39/77/12/775397712.db2.gz LDQBIDXDKIZDLG-UWVGGRQHSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)COC(C)(C)C ZINC001268306117 775397864 /nfs/dbraw/zinc/39/78/64/775397864.db2.gz ZDTFPUVBXVAWBH-LLVKDONJSA-N 1 0 299.371 -1.382 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268309594 775398382 /nfs/dbraw/zinc/39/83/82/775398382.db2.gz VYOVRVSIPQWUKQ-YUMQZZPRSA-N 1 0 270.289 -2.163 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268306027 775398610 /nfs/dbraw/zinc/39/86/10/775398610.db2.gz VLNUKIQMIFSEFN-QWRGUYRKSA-N 1 0 293.323 -1.728 20 30 CAEDRO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001268307777 775398837 /nfs/dbraw/zinc/39/88/37/775398837.db2.gz KGMHYLORJUWLPP-RYUDHWBXSA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001268314413 775399316 /nfs/dbraw/zinc/39/93/16/775399316.db2.gz ZLWCVEBAUJTFKG-SECBINFHSA-N 1 0 288.307 -1.110 20 30 CAEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001268316142 775399379 /nfs/dbraw/zinc/39/93/79/775399379.db2.gz IAWPADKHBQZSHM-JTQLQIEISA-N 1 0 282.344 -1.095 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001268314420 775399797 /nfs/dbraw/zinc/39/97/97/775399797.db2.gz ZLWCVEBAUJTFKG-VIFPVBQESA-N 1 0 288.307 -1.110 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001268312911 775399881 /nfs/dbraw/zinc/39/98/81/775399881.db2.gz LDJZDXHDAHGPLD-MNOVXSKESA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268312837 775399917 /nfs/dbraw/zinc/39/99/17/775399917.db2.gz JXDVLJYRKASNHY-NSHDSACASA-N 1 0 295.339 -1.385 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268313127 775399938 /nfs/dbraw/zinc/39/99/38/775399938.db2.gz NMJITZGUFQHGDJ-SNVBAGLBSA-N 1 0 283.328 -1.222 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001268312912 775400403 /nfs/dbraw/zinc/40/04/03/775400403.db2.gz LDJZDXHDAHGPLD-QWRGUYRKSA-N 1 0 288.369 -1.489 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001268316742 775401358 /nfs/dbraw/zinc/40/13/58/775401358.db2.gz VOVBBCZMXQFKAB-NEPJUHHUSA-N 1 0 271.361 -1.040 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268319255 775401365 /nfs/dbraw/zinc/40/13/65/775401365.db2.gz GQUMQLAYOCCDIF-NEPJUHHUSA-N 1 0 297.355 -1.819 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001268316754 775401379 /nfs/dbraw/zinc/40/13/79/775401379.db2.gz VOVBBCZMXQFKAB-NWDGAFQWSA-N 1 0 271.361 -1.040 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCn1cnnn1 ZINC001268326668 775402931 /nfs/dbraw/zinc/40/29/31/775402931.db2.gz MFKILAZBSYCBAX-JTQLQIEISA-N 1 0 266.305 -1.847 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001268327372 775403042 /nfs/dbraw/zinc/40/30/42/775403042.db2.gz QSUNHBRMCWMCKW-SECBINFHSA-N 1 0 252.278 -2.237 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCn1cnnn1 ZINC001268327361 775403046 /nfs/dbraw/zinc/40/30/46/775403046.db2.gz QRTZWBIVIVXRCP-JTQLQIEISA-N 1 0 268.321 -1.294 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001268326568 775403121 /nfs/dbraw/zinc/40/31/21/775403121.db2.gz XWGDPYXIIPTFAH-LLVKDONJSA-N 1 0 293.327 -2.232 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnon1 ZINC001268325292 775403146 /nfs/dbraw/zinc/40/31/46/775403146.db2.gz CZRMTCJNCWSYLL-MRVPVSSYSA-N 1 0 281.272 -2.501 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001268322364 775403187 /nfs/dbraw/zinc/40/31/87/775403187.db2.gz LJURYLYMRVHRPK-DTWKUNHWSA-N 1 0 284.316 -2.675 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(OC)nn1 ZINC001268327300 775403280 /nfs/dbraw/zinc/40/32/80/775403280.db2.gz IXGINQKTSOVSTL-SECBINFHSA-N 1 0 264.285 -1.201 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001268324984 775403403 /nfs/dbraw/zinc/40/34/03/775403403.db2.gz WZPVDRGLWHSOLD-SKDRFNHKSA-N 1 0 253.302 -1.645 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268331347 775404632 /nfs/dbraw/zinc/40/46/32/775404632.db2.gz IECUIBKOTSWFSB-SNVBAGLBSA-N 1 0 298.343 -1.477 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1nnnc1C(C)C ZINC001268328908 775404726 /nfs/dbraw/zinc/40/47/26/775404726.db2.gz PTARINVUACPULY-JTQLQIEISA-N 1 0 280.332 -1.504 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CNC1=O ZINC001268331853 775405214 /nfs/dbraw/zinc/40/52/14/775405214.db2.gz LBGRVIYQSXFXMQ-QMMMGPOBSA-N 1 0 268.273 -2.762 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001268329240 775405654 /nfs/dbraw/zinc/40/56/54/775405654.db2.gz SWMZUFHXBHWJRZ-VIFPVBQESA-N 1 0 291.373 -1.986 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)nc1 ZINC001268332324 775405445 /nfs/dbraw/zinc/40/54/45/775405445.db2.gz YJRWXUCAPIOEAE-LLVKDONJSA-N 1 0 290.323 -1.511 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268335695 775406219 /nfs/dbraw/zinc/40/62/19/775406219.db2.gz NSGAXDIOTKQCNS-BDAKNGLRSA-N 1 0 277.346 -2.069 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O)nc1 ZINC001268330839 775406329 /nfs/dbraw/zinc/40/63/29/775406329.db2.gz PIOJCDGRIFKRCY-KOLCDFICSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)N(C)C ZINC001268333196 775406857 /nfs/dbraw/zinc/40/68/57/775406857.db2.gz RKCQSBVCTYGZSK-JTQLQIEISA-N 1 0 291.373 -2.032 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCS(=O)(=O)N(C)C ZINC001268333503 775407088 /nfs/dbraw/zinc/40/70/88/775407088.db2.gz DUEIWJLZUUCXCP-SNVBAGLBSA-N 1 0 291.373 -2.032 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O)nc1 ZINC001268330841 775407222 /nfs/dbraw/zinc/40/72/22/775407222.db2.gz PIOJCDGRIFKRCY-ONGXEEELSA-N 1 0 290.323 -1.383 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001268335938 775408376 /nfs/dbraw/zinc/40/83/76/775408376.db2.gz AXVGCMVMPIEMMO-VHSXEESVSA-N 1 0 283.328 -1.318 20 30 CAEDRO COC(=O)NCC(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001268352950 775409015 /nfs/dbraw/zinc/40/90/15/775409015.db2.gz YTZCLRLCSFWBPH-SECBINFHSA-N 1 0 299.331 -1.533 20 30 CAEDRO Cc1nn[nH]c1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001268390016 775411346 /nfs/dbraw/zinc/41/13/46/775411346.db2.gz WFEKVIIQJLDOJH-MRVPVSSYSA-N 1 0 293.331 -1.149 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001268396137 775411460 /nfs/dbraw/zinc/41/14/60/775411460.db2.gz RVPOZCPBOZBHTA-VIFPVBQESA-N 1 0 293.331 -1.943 20 30 CAEDRO Cc1nn[nH]c1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001268390017 775411654 /nfs/dbraw/zinc/41/16/54/775411654.db2.gz WFEKVIIQJLDOJH-QMMMGPOBSA-N 1 0 293.331 -1.149 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001100379819 775411673 /nfs/dbraw/zinc/41/16/73/775411673.db2.gz DQFFLISSMHXVSF-UHFFFAOYSA-N 1 0 287.385 -1.005 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001083325034 775413271 /nfs/dbraw/zinc/41/32/71/775413271.db2.gz SMSSJPYFXITLHT-MNOVXSKESA-N 1 0 276.296 -1.020 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CN1CCOCC1=O ZINC001268453696 775415412 /nfs/dbraw/zinc/41/54/12/775415412.db2.gz LKVVKJSLLGXBNQ-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126360757 775419728 /nfs/dbraw/zinc/41/97/28/775419728.db2.gz QDCMYQICSHSWRV-GFCCVEGCSA-N 1 0 268.317 -1.341 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C1(C(N)=O)CC1 ZINC001268475768 775419758 /nfs/dbraw/zinc/41/97/58/775419758.db2.gz KYQSDGBJCCGZGJ-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)C(N)=O)C1=O ZINC001268475742 775419779 /nfs/dbraw/zinc/41/97/79/775419779.db2.gz JXUNEIJOOBQBLV-SNVBAGLBSA-N 1 0 282.344 -1.303 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)C(N)=O)C1=O ZINC001268475741 775420332 /nfs/dbraw/zinc/42/03/32/775420332.db2.gz JXUNEIJOOBQBLV-JTQLQIEISA-N 1 0 282.344 -1.303 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC ZINC001212178061 775421579 /nfs/dbraw/zinc/42/15/79/775421579.db2.gz GZJXMOLFAQEPFG-JTNHKYCSSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001126365299 775421807 /nfs/dbraw/zinc/42/18/07/775421807.db2.gz ILTRDGZWGYMRBE-LLVKDONJSA-N 1 0 272.305 -1.786 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1nc[nH]n1 ZINC001268488255 775421920 /nfs/dbraw/zinc/42/19/20/775421920.db2.gz APFKDVJIHJMSGG-UHFFFAOYSA-N 1 0 279.304 -1.504 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@](C)(O)C=C ZINC001126366145 775422187 /nfs/dbraw/zinc/42/21/87/775422187.db2.gz RNBXYJVAOZUPPG-CYBMUJFWSA-N 1 0 267.329 -1.231 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC ZINC001212178060 775422251 /nfs/dbraw/zinc/42/22/51/775422251.db2.gz GZJXMOLFAQEPFG-GYSYKLTISA-N 1 0 299.371 -1.125 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001126365914 775422392 /nfs/dbraw/zinc/42/23/92/775422392.db2.gz OJNKEKWUMPSOGV-JOYOIKCWSA-N 1 0 255.318 -1.092 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001126364770 775422729 /nfs/dbraw/zinc/42/27/29/775422729.db2.gz BPDRPMCLNPYZBS-AWEZNQCLSA-N 1 0 299.371 -1.122 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001126365459 775424639 /nfs/dbraw/zinc/42/46/39/775424639.db2.gz JUNYZMRATUVBHB-LBPRGKRZSA-N 1 0 286.332 -1.525 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138035 775424666 /nfs/dbraw/zinc/42/46/66/775424666.db2.gz SSSFOURPADBSKS-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138034 775424764 /nfs/dbraw/zinc/42/47/64/775424764.db2.gz SSSFOURPADBSKS-LLVKDONJSA-N 1 0 282.344 -1.115 20 30 CAEDRO C[C@H](C#N)C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O ZINC001268517985 775425126 /nfs/dbraw/zinc/42/51/26/775425126.db2.gz DQFWPVHMNNVDRN-HMDXOVGESA-N 1 0 288.373 -1.043 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001268543859 775429455 /nfs/dbraw/zinc/42/94/55/775429455.db2.gz YYEYXIPDGOCBCO-ARJAWSKDSA-N 1 0 276.300 -1.728 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001126377401 775432027 /nfs/dbraw/zinc/43/20/27/775432027.db2.gz AHHDNLWHCWGVJZ-NSHDSACASA-N 1 0 293.389 -1.432 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001126379213 775433510 /nfs/dbraw/zinc/43/35/10/775433510.db2.gz ZSZOSRRXROVPGC-CYBMUJFWSA-N 1 0 298.343 -1.429 20 30 CAEDRO Cc1nn[nH]c1C(=O)NCC=CC[NH2+]CC(=O)NCC#N ZINC001268571611 775433960 /nfs/dbraw/zinc/43/39/60/775433960.db2.gz CMIPZIKFZLHSPF-NSCUHMNNSA-N 1 0 291.315 -1.372 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211833743 775438038 /nfs/dbraw/zinc/43/80/38/775438038.db2.gz LCCPPZGESDMULK-NXEZZACHSA-N 1 0 268.317 -1.507 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001268590081 775438259 /nfs/dbraw/zinc/43/82/59/775438259.db2.gz JLVSDSKWEWUMNY-ONEGZZNKSA-N 1 0 297.340 -1.434 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](O)C1 ZINC001083347587 775444281 /nfs/dbraw/zinc/44/42/81/775444281.db2.gz GKDQJUXFUFANAH-GRYCIOLGSA-N 1 0 268.313 -1.414 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](O)C1 ZINC001083347588 775445157 /nfs/dbraw/zinc/44/51/57/775445157.db2.gz GKDQJUXFUFANAH-WOPDTQHZSA-N 1 0 268.313 -1.414 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O ZINC001083368060 775451077 /nfs/dbraw/zinc/45/10/77/775451077.db2.gz BPLBPBYGLDTWSG-VWYCJHECSA-N 1 0 252.318 -1.235 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268596588 775454673 /nfs/dbraw/zinc/45/46/73/775454673.db2.gz NRMZAJHWXLIROT-WYGGZMRJSA-N 1 0 280.328 -1.738 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001083385010 775456228 /nfs/dbraw/zinc/45/62/28/775456228.db2.gz BHLJMZPOROXUFH-FRRDWIJNSA-N 1 0 281.356 -1.498 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ccnnc1 ZINC001268599525 775459887 /nfs/dbraw/zinc/45/98/87/775459887.db2.gz RBZMEDZDFNHOCA-OWOJBTEDSA-N 1 0 288.311 -1.008 20 30 CAEDRO C=CCOCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001268640298 775460725 /nfs/dbraw/zinc/46/07/25/775460725.db2.gz RCKXQUDTALRUAX-BDAKNGLRSA-N 1 0 286.332 -1.133 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC(N)=O ZINC001268642433 775460894 /nfs/dbraw/zinc/46/08/94/775460894.db2.gz RJQOIDUHLWZVHT-RKDXNWHRSA-N 1 0 268.317 -1.906 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001268642506 775461155 /nfs/dbraw/zinc/46/11/55/775461155.db2.gz PWUAATBIULOQLU-SECBINFHSA-N 1 0 292.343 -1.540 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CNC(=O)CC ZINC001268638993 775461839 /nfs/dbraw/zinc/46/18/39/775461839.db2.gz CDUVJMCSJXDKPN-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO Cn1nccc1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126393070 775462140 /nfs/dbraw/zinc/46/21/40/775462140.db2.gz KGQVBWXJLTUBOR-UHFFFAOYSA-N 1 0 278.316 -1.692 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268648557 775462746 /nfs/dbraw/zinc/46/27/46/775462746.db2.gz MVZVCVPIKKSKBY-BDAKNGLRSA-N 1 0 266.301 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001268657552 775463075 /nfs/dbraw/zinc/46/30/75/775463075.db2.gz AJLXJHKMLMLSBM-MNOVXSKESA-N 1 0 294.355 -1.549 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H](C)CC(N)=O ZINC001268656843 775463141 /nfs/dbraw/zinc/46/31/41/775463141.db2.gz FQYKUCUOUMBJAE-RKDXNWHRSA-N 1 0 283.332 -1.768 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001268645812 775463642 /nfs/dbraw/zinc/46/36/42/775463642.db2.gz XCYMEUCYTZQNNB-MRVPVSSYSA-N 1 0 264.289 -1.896 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001268657169 775463649 /nfs/dbraw/zinc/46/36/49/775463649.db2.gz LCBJYHAHZNKLEW-GHMZBOCLSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001268664753 775464889 /nfs/dbraw/zinc/46/48/89/775464889.db2.gz PWGPYHYRIIKQGC-SNVBAGLBSA-N 1 0 288.311 -1.382 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001268693433 775466662 /nfs/dbraw/zinc/46/66/62/775466662.db2.gz BSTJSNHOPCJSSN-NSHDSACASA-N 1 0 295.343 -1.674 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001268679960 775466852 /nfs/dbraw/zinc/46/68/52/775466852.db2.gz UPIUFKUUQDIKSG-VHSXEESVSA-N 1 0 284.360 -1.093 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001268672051 775466992 /nfs/dbraw/zinc/46/69/92/775466992.db2.gz RVWAWSYCCZKTOQ-LLVKDONJSA-N 1 0 295.339 -1.121 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnns1 ZINC001268678357 775467143 /nfs/dbraw/zinc/46/71/43/775467143.db2.gz FQMRKNXQVQULLU-ZETCQYMHSA-N 1 0 282.329 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1=COCCO1 ZINC001268680150 775467163 /nfs/dbraw/zinc/46/71/63/775467163.db2.gz XYRLGPJIXKYWIR-JTQLQIEISA-N 1 0 281.312 -1.282 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001268679959 775467383 /nfs/dbraw/zinc/46/73/83/775467383.db2.gz UPIUFKUUQDIKSG-UWVGGRQHSA-N 1 0 284.360 -1.093 20 30 CAEDRO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]CC#CCOC ZINC001268689214 775468068 /nfs/dbraw/zinc/46/80/68/775468068.db2.gz RYGURZYXXYPBFC-JTQLQIEISA-N 1 0 270.333 -1.341 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cncn1C ZINC001268692487 775468699 /nfs/dbraw/zinc/46/86/99/775468699.db2.gz GRMLFVZILNEYKP-VIFPVBQESA-N 1 0 278.316 -1.232 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268699427 775468741 /nfs/dbraw/zinc/46/87/41/775468741.db2.gz MTVYHDJTYYJZRH-MEWQQHAOSA-N 1 0 279.340 -1.278 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268699241 775468779 /nfs/dbraw/zinc/46/87/79/775468779.db2.gz GMZMTMFQHSERGM-WDEREUQCSA-N 1 0 282.344 -1.246 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001268702386 775469752 /nfs/dbraw/zinc/46/97/52/775469752.db2.gz FQUMHBHFLVUAMY-QMMMGPOBSA-N 1 0 299.356 -1.212 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001268701976 775470006 /nfs/dbraw/zinc/47/00/06/775470006.db2.gz NXNZSIDLQSIOLK-DTWKUNHWSA-N 1 0 281.316 -2.489 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268707706 775470270 /nfs/dbraw/zinc/47/02/70/775470270.db2.gz XMXNHFAECCJXLY-WPRPVWTQSA-N 1 0 270.333 -1.353 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268715146 775471545 /nfs/dbraw/zinc/47/15/45/775471545.db2.gz JEDGFYLRKNZMHF-IUCAKERBSA-N 1 0 259.331 -1.594 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001268780955 775473346 /nfs/dbraw/zinc/47/33/46/775473346.db2.gz YWAOFSUBAQZHNM-SNVBAGLBSA-N 1 0 297.359 -1.411 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C(N)=O ZINC001268832643 775476533 /nfs/dbraw/zinc/47/65/33/775476533.db2.gz ZXESPPBAOSOOLI-SECBINFHSA-N 1 0 270.333 -1.400 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001268843204 775477291 /nfs/dbraw/zinc/47/72/91/775477291.db2.gz FTCLWNNCMOVXMZ-UHFFFAOYSA-N 1 0 292.383 -1.168 20 30 CAEDRO N#CCNC(=O)CN1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001268906810 775480564 /nfs/dbraw/zinc/48/05/64/775480564.db2.gz YXDFNYBKXPECEV-UHFFFAOYSA-N 1 0 293.371 -1.230 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268949909 775481095 /nfs/dbraw/zinc/48/10/95/775481095.db2.gz FDQHMUXXHZSEJU-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001284396756 775488049 /nfs/dbraw/zinc/48/80/49/775488049.db2.gz FOUMNQIIEQRFMT-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269092225 775489821 /nfs/dbraw/zinc/48/98/21/775489821.db2.gz TWLHHRIBDKEKNT-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C1CC1 ZINC001269145169 775491676 /nfs/dbraw/zinc/49/16/76/775491676.db2.gz OBSKXSQIAWNVAN-LLVKDONJSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cncnc1 ZINC001126402992 775492242 /nfs/dbraw/zinc/49/22/42/775492242.db2.gz ODMCTJNMDWNWLA-UHFFFAOYSA-N 1 0 275.312 -1.526 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccnn1C ZINC001126403106 775492438 /nfs/dbraw/zinc/49/24/38/775492438.db2.gz STODWRJOEJMYKZ-NSHDSACASA-N 1 0 291.355 -1.194 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269166454 775493994 /nfs/dbraw/zinc/49/39/94/775493994.db2.gz ZSYUKYJSYQSDAJ-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284444781 775498294 /nfs/dbraw/zinc/49/82/94/775498294.db2.gz NMBXZMWEDUEDDI-IUCAKERBSA-N 1 0 284.316 -2.982 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284444795 775498710 /nfs/dbraw/zinc/49/87/10/775498710.db2.gz NNILBMJZEHXTDM-SECBINFHSA-N 1 0 255.318 -1.153 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001284457702 775499952 /nfs/dbraw/zinc/49/99/52/775499952.db2.gz UOZGOKDCAKUKDU-LLVKDONJSA-N 1 0 265.317 -1.290 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001284457703 775500507 /nfs/dbraw/zinc/50/05/07/775500507.db2.gz UOZGOKDCAKUKDU-NSHDSACASA-N 1 0 265.317 -1.290 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001284471005 775501726 /nfs/dbraw/zinc/50/17/26/775501726.db2.gz YLHUQWMRXGXTJG-SECBINFHSA-N 1 0 294.311 -1.858 20 30 CAEDRO C#CCC[NH2+]C1(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001269416009 775506926 /nfs/dbraw/zinc/50/69/26/775506926.db2.gz NYNTWCLFDMBTNH-UHFFFAOYSA-N 1 0 290.327 -1.361 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001269411913 775507138 /nfs/dbraw/zinc/50/71/38/775507138.db2.gz XNRDDWYGOOBVBT-SECBINFHSA-N 1 0 296.327 -1.542 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001269411914 775507208 /nfs/dbraw/zinc/50/72/08/775507208.db2.gz XNRDDWYGOOBVBT-VIFPVBQESA-N 1 0 296.327 -1.542 20 30 CAEDRO CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001269461504 775508794 /nfs/dbraw/zinc/50/87/94/775508794.db2.gz VCYGTXHUHRTASB-RKDXNWHRSA-N 1 0 296.331 -2.208 20 30 CAEDRO CC#CC[NH2+][C@H](CC)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001269476946 775509856 /nfs/dbraw/zinc/50/98/56/775509856.db2.gz IMJISGXIWMODDS-NEPJUHHUSA-N 1 0 296.371 -1.126 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cncnc1 ZINC001126415329 775510120 /nfs/dbraw/zinc/51/01/20/775510120.db2.gz ZMZSJTWNCMAGDJ-NSHDSACASA-N 1 0 289.339 -1.137 20 30 CAEDRO CC[C@H](CNC(=O)c1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001269487262 775510305 /nfs/dbraw/zinc/51/03/05/775510305.db2.gz SSMHFKMYMMHUOZ-MRVPVSSYSA-N 1 0 279.304 -1.458 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cncnc1 ZINC001126415328 775510811 /nfs/dbraw/zinc/51/08/11/775510811.db2.gz ZMZSJTWNCMAGDJ-LLVKDONJSA-N 1 0 289.339 -1.137 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001269522399 775511873 /nfs/dbraw/zinc/51/18/73/775511873.db2.gz MVHRIJWHIPNUIG-JTQLQIEISA-N 1 0 294.355 -1.194 20 30 CAEDRO CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(CC(=O)NCC#N)C1 ZINC001269764273 775516041 /nfs/dbraw/zinc/51/60/41/775516041.db2.gz QSSDGGZVYHEKFT-LBPRGKRZSA-N 1 0 293.371 -1.137 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cnon1 ZINC001270150955 775523142 /nfs/dbraw/zinc/52/31/42/775523142.db2.gz RROVVDHAAFHROD-SECBINFHSA-N 1 0 292.299 -1.096 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1cnon1 ZINC001270150956 775524168 /nfs/dbraw/zinc/52/41/68/775524168.db2.gz RROVVDHAAFHROD-VIFPVBQESA-N 1 0 292.299 -1.096 20 30 CAEDRO C[C@H](CNC(=O)[C@H](C)C#N)C[NH2+]CC(=O)NC(N)=O ZINC001270371875 775528558 /nfs/dbraw/zinc/52/85/58/775528558.db2.gz MXOUJUFXQBINQG-JGVFFNPUSA-N 1 0 269.305 -1.317 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H](C)C#N)C[NH2+]CC(=O)NC(N)=O ZINC001270371876 775528762 /nfs/dbraw/zinc/52/87/62/775528762.db2.gz MXOUJUFXQBINQG-SFYZADRCSA-N 1 0 269.305 -1.317 20 30 CAEDRO COCC(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001270339987 775528773 /nfs/dbraw/zinc/52/87/73/775528773.db2.gz KITNXROCQYJBHG-VIFPVBQESA-N 1 0 256.306 -1.386 20 30 CAEDRO C#CCN(C(=O)CC(N)=O)C1CCN([C@H](C)C(N)=O)CC1 ZINC001270302451 775528783 /nfs/dbraw/zinc/52/87/83/775528783.db2.gz ZCUMDNCHQGKWNO-SNVBAGLBSA-N 1 0 294.355 -1.338 20 30 CAEDRO C[C@H](CNC(=O)[C@@H](C)C#N)C[NH2+]CC(=O)NC(N)=O ZINC001270371877 775528908 /nfs/dbraw/zinc/52/89/08/775528908.db2.gz MXOUJUFXQBINQG-YUMQZZPRSA-N 1 0 269.305 -1.317 20 30 CAEDRO C[C@H](CNC(=O)C#CC1CC1)C[NH2+]CC(=O)NC(N)=O ZINC001270401534 775530363 /nfs/dbraw/zinc/53/03/63/775530363.db2.gz DDGHYZIHKPYAGF-VIFPVBQESA-N 1 0 280.328 -1.063 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)CNC(=O)NC ZINC001270418556 775530831 /nfs/dbraw/zinc/53/08/31/775530831.db2.gz AJFUYYWDQMTBQK-JTQLQIEISA-N 1 0 297.359 -1.993 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)NC ZINC001270418557 775531135 /nfs/dbraw/zinc/53/11/35/775531135.db2.gz AJFUYYWDQMTBQK-SNVBAGLBSA-N 1 0 297.359 -1.993 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(C)(C)O ZINC001126467134 775534748 /nfs/dbraw/zinc/53/47/48/775534748.db2.gz FJGAMIMQUHJLSR-JTQLQIEISA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001270534895 775534840 /nfs/dbraw/zinc/53/48/40/775534840.db2.gz QNPNWXPQTJIYCM-SECBINFHSA-N 1 0 294.311 -1.618 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001270534896 775534974 /nfs/dbraw/zinc/53/49/74/775534974.db2.gz QNPNWXPQTJIYCM-VIFPVBQESA-N 1 0 294.311 -1.618 20 30 CAEDRO C[C@@H](CNC(=O)c1nnc[nH]1)C[NH2+]CC(=O)NCC#N ZINC001270551673 775536602 /nfs/dbraw/zinc/53/66/02/775536602.db2.gz UFCVKKRIJGLAQM-MRVPVSSYSA-N 1 0 279.304 -1.600 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nccc(C)n1 ZINC001126471961 775538327 /nfs/dbraw/zinc/53/83/27/775538327.db2.gz SEKDYSQZCNVCAN-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO CC(C)(O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126476404 775539620 /nfs/dbraw/zinc/53/96/20/775539620.db2.gz CUXBKJNUEXJRRZ-UHFFFAOYSA-N 1 0 256.306 -1.507 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001149312347 775543569 /nfs/dbraw/zinc/54/35/69/775543569.db2.gz JSSZIUNLFFDVBZ-GFCCVEGCSA-N 1 0 296.371 -1.137 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001149312348 775543946 /nfs/dbraw/zinc/54/39/46/775543946.db2.gz JSSZIUNLFFDVBZ-LBPRGKRZSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CNC(C)=O ZINC001270878549 775554772 /nfs/dbraw/zinc/55/47/72/775554772.db2.gz VQKLRZUYBGXGIA-WDEREUQCSA-N 1 0 296.371 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001083415357 775556280 /nfs/dbraw/zinc/55/62/80/775556280.db2.gz HPEUODUVWOHNRN-OLZOCXBDSA-N 1 0 281.356 -1.497 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001270948782 775560153 /nfs/dbraw/zinc/56/01/53/775560153.db2.gz XHQSMKZPCCYZBJ-UWVGGRQHSA-N 1 0 299.375 -1.218 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001270948783 775560396 /nfs/dbraw/zinc/56/03/96/775560396.db2.gz XHQSMKZPCCYZBJ-ZJUUUORDSA-N 1 0 299.375 -1.218 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC(N)=O ZINC001270921217 775561125 /nfs/dbraw/zinc/56/11/25/775561125.db2.gz GUIRPTHBGFJJJU-VHSXEESVSA-N 1 0 284.360 -1.011 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001271067870 775565219 /nfs/dbraw/zinc/56/52/19/775565219.db2.gz LOHHLVKBROHXIO-JTQLQIEISA-N 1 0 280.332 -1.090 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001271083399 775565929 /nfs/dbraw/zinc/56/59/29/775565929.db2.gz PTXFNUOAWLEONM-ZJUUUORDSA-N 1 0 295.343 -2.146 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001271083397 775565978 /nfs/dbraw/zinc/56/59/78/775565978.db2.gz PTXFNUOAWLEONM-VHSXEESVSA-N 1 0 295.343 -2.146 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001271082932 775566337 /nfs/dbraw/zinc/56/63/37/775566337.db2.gz MPVZURPPZSIOOK-WDEREUQCSA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001271082930 775566940 /nfs/dbraw/zinc/56/69/40/775566940.db2.gz MPVZURPPZSIOOK-MNOVXSKESA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001271083325 775567237 /nfs/dbraw/zinc/56/72/37/775567237.db2.gz PTXFNUOAWLEONM-NXEZZACHSA-N 1 0 295.343 -2.146 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@](O)(CNC(C)=O)C1 ZINC001271110394 775568198 /nfs/dbraw/zinc/56/81/98/775568198.db2.gz TZBMSRYOBYPBJU-GFCCVEGCSA-N 1 0 253.302 -1.691 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001271118751 775568792 /nfs/dbraw/zinc/56/87/92/775568792.db2.gz CUPMQGMCCCCPLC-DGCLKSJQSA-N 1 0 268.313 -1.412 20 30 CAEDRO C#CCNC(=O)CN1CC[C@](O)(CNC(C)=O)C1 ZINC001271110395 775569383 /nfs/dbraw/zinc/56/93/83/775569383.db2.gz TZBMSRYOBYPBJU-LBPRGKRZSA-N 1 0 253.302 -1.691 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnnn1C ZINC001126540767 775570980 /nfs/dbraw/zinc/57/09/80/775570980.db2.gz HJFOYXCZTKVNMB-SECBINFHSA-N 1 0 278.316 -1.728 20 30 CAEDRO C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001271130693 775571859 /nfs/dbraw/zinc/57/18/59/775571859.db2.gz DTVDVFPWRIWVSN-CYBMUJFWSA-N 1 0 298.343 -2.283 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001271138706 775572696 /nfs/dbraw/zinc/57/26/96/775572696.db2.gz SAKBYYPAIOUQLI-SMDDNHRTSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001271138702 775572836 /nfs/dbraw/zinc/57/28/36/775572836.db2.gz SAKBYYPAIOUQLI-RISCZKNCSA-N 1 0 279.340 -1.301 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001271136796 775573233 /nfs/dbraw/zinc/57/32/33/775573233.db2.gz DSRLVXVHRCKVDT-CABZTGNLSA-N 1 0 270.333 -1.218 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126547904 775575241 /nfs/dbraw/zinc/57/52/41/775575241.db2.gz CEILTBCFPVGKTD-SSDOTTSWSA-N 1 0 269.261 -2.560 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001271145665 775576240 /nfs/dbraw/zinc/57/62/40/775576240.db2.gz PJSMORAGITWAPN-LLVKDONJSA-N 1 0 266.305 -1.588 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126549066 775577569 /nfs/dbraw/zinc/57/75/69/775577569.db2.gz WPNAQLSOLGQBAB-QMMMGPOBSA-N 1 0 268.273 -2.450 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548491 775578254 /nfs/dbraw/zinc/57/82/54/775578254.db2.gz MJPXDJZEPGZJEH-QMMMGPOBSA-N 1 0 270.289 -1.897 20 30 CAEDRO C#CCN1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001271154204 775579738 /nfs/dbraw/zinc/57/97/38/775579738.db2.gz ZHNMCVJHSDZCEU-LBPRGKRZSA-N 1 0 286.353 -1.783 20 30 CAEDRO C#CCN1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001271154203 775580000 /nfs/dbraw/zinc/58/00/00/775580000.db2.gz ZHNMCVJHSDZCEU-GFCCVEGCSA-N 1 0 286.353 -1.783 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126555224 775581862 /nfs/dbraw/zinc/58/18/62/775581862.db2.gz VEWPQIFRXUQYOP-ZJUUUORDSA-N 1 0 296.327 -1.413 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001271160632 775583501 /nfs/dbraw/zinc/58/35/01/775583501.db2.gz WMPPQBLWNXWKAM-ZANVPECISA-N 1 0 296.327 -1.677 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1nnc[nH]1 ZINC001271161680 775584824 /nfs/dbraw/zinc/58/48/24/775584824.db2.gz GBHDHSJFBCIHOY-SNVBAGLBSA-N 1 0 292.343 -1.467 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559270 775585655 /nfs/dbraw/zinc/58/56/55/775585655.db2.gz COHQGHWHQUUNSE-IUCAKERBSA-N 1 0 282.300 -2.062 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1nnc[nH]1 ZINC001271161679 775585716 /nfs/dbraw/zinc/58/57/16/775585716.db2.gz GBHDHSJFBCIHOY-JTQLQIEISA-N 1 0 292.343 -1.467 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126561470 775587428 /nfs/dbraw/zinc/58/74/28/775587428.db2.gz QCDXGMPCMYFHRX-RKDXNWHRSA-N 1 0 284.316 -1.509 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001271173583 775590149 /nfs/dbraw/zinc/59/01/49/775590149.db2.gz AAYZXSMZXRMYQQ-SMDDNHRTSA-N 1 0 279.340 -1.301 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001271173724 775590276 /nfs/dbraw/zinc/59/02/76/775590276.db2.gz BVFBJYNZHIOUCD-CQSZACIVSA-N 1 0 296.371 -1.843 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001271183018 775591125 /nfs/dbraw/zinc/59/11/25/775591125.db2.gz ABINJPVWTNFWQK-ZWNOBZJWSA-N 1 0 282.344 -1.203 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001271173580 775591278 /nfs/dbraw/zinc/59/12/78/775591278.db2.gz AAYZXSMZXRMYQQ-BXUZGUMPSA-N 1 0 279.340 -1.301 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001271182971 775591431 /nfs/dbraw/zinc/59/14/31/775591431.db2.gz ABINJPVWTNFWQK-GWCFXTLKSA-N 1 0 282.344 -1.203 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001271184360 775592496 /nfs/dbraw/zinc/59/24/96/775592496.db2.gz KSWBQJFYCQALTJ-ZDUSSCGKSA-N 1 0 278.312 -1.075 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001271191912 775592605 /nfs/dbraw/zinc/59/26/05/775592605.db2.gz HSIPEBNXTWHDBU-NRUUGDAUSA-N 1 0 267.329 -1.153 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001271184359 775592872 /nfs/dbraw/zinc/59/28/72/775592872.db2.gz KSWBQJFYCQALTJ-CYBMUJFWSA-N 1 0 278.312 -1.075 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001271184855 775593165 /nfs/dbraw/zinc/59/31/65/775593165.db2.gz OQXKQESXSVRBNY-CYBMUJFWSA-N 1 0 276.296 -1.430 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001271206949 775594392 /nfs/dbraw/zinc/59/43/92/775594392.db2.gz LHQHFWYBXZWAQE-VIFPVBQESA-N 1 0 261.347 -1.395 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001271201295 775594621 /nfs/dbraw/zinc/59/46/21/775594621.db2.gz OWUBQEFVLGCFCG-LBPRGKRZSA-N 1 0 263.301 -1.385 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001271660519 775617399 /nfs/dbraw/zinc/61/73/99/775617399.db2.gz SMHZFYHPIORHGR-ZJUUUORDSA-N 1 0 280.328 -2.095 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001271660517 775617714 /nfs/dbraw/zinc/61/77/14/775617714.db2.gz SMHZFYHPIORHGR-UWVGGRQHSA-N 1 0 280.328 -2.095 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](O)C(C)C ZINC001126619082 775621444 /nfs/dbraw/zinc/62/14/44/775621444.db2.gz LUOCNDDMSZYKQF-LLVKDONJSA-N 1 0 255.318 -1.542 20 30 CAEDRO C[C@@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001168081053 775621989 /nfs/dbraw/zinc/62/19/89/775621989.db2.gz XLTAOIISJKRSGQ-KCUSNBPKSA-N 1 0 277.317 -2.214 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](O)C(C)C ZINC001126622989 775624864 /nfs/dbraw/zinc/62/48/64/775624864.db2.gz PNCCAQHYJUJMQN-GHMZBOCLSA-N 1 0 269.345 -1.153 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](O)C(C)C ZINC001126622990 775625000 /nfs/dbraw/zinc/62/50/00/775625000.db2.gz PNCCAQHYJUJMQN-WDEREUQCSA-N 1 0 269.345 -1.153 20 30 CAEDRO N#CCNC1CC[NH+](CCNC(=O)Cn2ncnn2)CC1 ZINC001271912421 775629124 /nfs/dbraw/zinc/62/91/24/775629124.db2.gz TYLOFKFFAMDUKN-UHFFFAOYSA-N 1 0 292.347 -1.633 20 30 CAEDRO C#CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001271942895 775630891 /nfs/dbraw/zinc/63/08/91/775630891.db2.gz VSJSCMPTJWFTSO-ZDUSSCGKSA-N 1 0 292.343 -1.361 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001168129242 775639133 /nfs/dbraw/zinc/63/91/33/775639133.db2.gz RZWMKRUHGCBKAN-UHFFFAOYSA-N 1 0 278.312 -1.296 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cn(C)nn2)C1=O ZINC001126653767 775641376 /nfs/dbraw/zinc/64/13/76/775641376.db2.gz HNLLJJNZVYOXRZ-SNVBAGLBSA-N 1 0 292.343 -1.079 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126653556 775642365 /nfs/dbraw/zinc/64/23/65/775642365.db2.gz AMIMOLMCQSKPSC-UHFFFAOYSA-N 1 0 251.290 -1.216 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1nnc(C)o1 ZINC001126664092 775645117 /nfs/dbraw/zinc/64/51/17/775645117.db2.gz SNEPPOKOGGPSKX-UHFFFAOYSA-N 1 0 279.300 -1.624 20 30 CAEDRO Cc1nnc(CC(=O)NCC[NH2+]CC(=O)NCC#N)o1 ZINC001126664158 775645541 /nfs/dbraw/zinc/64/55/41/775645541.db2.gz UIZRVUDLLUUYTR-UHFFFAOYSA-N 1 0 280.288 -1.734 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ncn(C)n1 ZINC001126677893 775647479 /nfs/dbraw/zinc/64/74/79/775647479.db2.gz GVPOUEZZVBUPRX-UHFFFAOYSA-N 1 0 266.305 -1.563 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ncn(C)n1 ZINC001126677922 775647656 /nfs/dbraw/zinc/64/76/56/775647656.db2.gz HRIVBRRMEJNKTK-UHFFFAOYSA-N 1 0 264.289 -2.116 20 30 CAEDRO C#CCC[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001272054875 775650545 /nfs/dbraw/zinc/65/05/45/775650545.db2.gz FDMGUAHSIXKJQZ-UHFFFAOYSA-N 1 0 279.344 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126689553 775651558 /nfs/dbraw/zinc/65/15/58/775651558.db2.gz ZXXLDCXBVRHLOY-UHFFFAOYSA-N 1 0 285.348 -1.687 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(CC)n1 ZINC001126716168 775652919 /nfs/dbraw/zinc/65/29/19/775652919.db2.gz BLJLQWDIBGXCBB-JTQLQIEISA-N 1 0 292.343 -1.245 20 30 CAEDRO CC1CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001168200487 775655348 /nfs/dbraw/zinc/65/53/48/775655348.db2.gz FLYVJAORVUGMPH-KUHWMHPDSA-N 1 0 275.345 -1.203 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001075898012 775655448 /nfs/dbraw/zinc/65/54/48/775655448.db2.gz GFTIEIVTPGEOBG-GARJFASQSA-N 1 0 290.323 -1.250 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001168224720 775655946 /nfs/dbraw/zinc/65/59/46/775655946.db2.gz IKOJUIJLJINXHK-JTQLQIEISA-N 1 0 295.343 -1.609 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001083430978 775658094 /nfs/dbraw/zinc/65/80/94/775658094.db2.gz YPPOCFVMYIMMRH-OLZOCXBDSA-N 1 0 279.340 -1.351 20 30 CAEDRO CCn1nncc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126728302 775658122 /nfs/dbraw/zinc/65/81/22/775658122.db2.gz YDNZPEKUSQLWPW-UHFFFAOYSA-N 1 0 279.304 -1.743 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnnn1CC ZINC001126728260 775658655 /nfs/dbraw/zinc/65/86/55/775658655.db2.gz XOWJVVRIIMZSQR-SNVBAGLBSA-N 1 0 292.343 -1.245 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnnn1CC ZINC001126728257 775658773 /nfs/dbraw/zinc/65/87/73/775658773.db2.gz XOWJVVRIIMZSQR-JTQLQIEISA-N 1 0 292.343 -1.245 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnnn1CC ZINC001126728262 775658866 /nfs/dbraw/zinc/65/88/66/775658866.db2.gz XPKCZVAVJMIPQM-UHFFFAOYSA-N 1 0 280.332 -1.080 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001083430341 775658888 /nfs/dbraw/zinc/65/88/88/775658888.db2.gz RQBOSDFBTURGSK-ZJUUUORDSA-N 1 0 279.296 -1.224 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088578953 775665244 /nfs/dbraw/zinc/66/52/44/775665244.db2.gz GARTWEQYTCDQDD-ZJUUUORDSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)CNC(=O)CC)[C@H](OC)C1 ZINC001212028314 775668349 /nfs/dbraw/zinc/66/83/49/775668349.db2.gz OCURULFATXNBTO-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001279150882 775675282 /nfs/dbraw/zinc/67/52/82/775675282.db2.gz YNCWAZJOFQUIBP-ZJUUUORDSA-N 1 0 282.344 -1.542 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)Cn1cnnn1 ZINC001272109876 775675812 /nfs/dbraw/zinc/67/58/12/775675812.db2.gz MGZMEMYHXDGXLC-UHFFFAOYSA-N 1 0 266.305 -1.893 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)Cn1cnnn1 ZINC001272109611 775676680 /nfs/dbraw/zinc/67/66/80/775676680.db2.gz HHVHWMZHTFDXSN-UHFFFAOYSA-N 1 0 296.331 -2.267 20 30 CAEDRO C=C(Cl)C[NH2+]CCN(CCO)C(=O)Cn1cnnn1 ZINC001272109886 775676755 /nfs/dbraw/zinc/67/67/55/775676755.db2.gz MKWIWUTUJJVXIE-UHFFFAOYSA-N 1 0 288.739 -1.164 20 30 CAEDRO CC(C)C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N ZINC001272117556 775676910 /nfs/dbraw/zinc/67/69/10/775676910.db2.gz ZZTTZPUIDFAGIS-UHFFFAOYSA-N 1 0 270.333 -1.307 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001272154157 775678412 /nfs/dbraw/zinc/67/84/12/775678412.db2.gz CCNIQIAJVNCMHD-SNVBAGLBSA-N 1 0 269.301 -1.471 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001272154101 775678519 /nfs/dbraw/zinc/67/85/19/775678519.db2.gz AYSRKKMUVHJDSS-LLVKDONJSA-N 1 0 299.327 -1.845 20 30 CAEDRO O=C(C#CC1CC1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001272162201 775679755 /nfs/dbraw/zinc/67/97/55/775679755.db2.gz HMJKBUVFELNXPC-GFCCVEGCSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001088630496 775681086 /nfs/dbraw/zinc/68/10/86/775681086.db2.gz JZFQJXFYHVTQAB-UTLUCORTSA-N 1 0 278.312 -1.203 20 30 CAEDRO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001272172145 775681773 /nfs/dbraw/zinc/68/17/73/775681773.db2.gz KMJLNVZZUCEMCI-GFCCVEGCSA-N 1 0 295.387 -1.032 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)NC(=O)CC ZINC001272174469 775681957 /nfs/dbraw/zinc/68/19/57/775681957.db2.gz OBHOKTNBZZPHOL-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)C1CS(=O)(=O)C1 ZINC001272175196 775681996 /nfs/dbraw/zinc/68/19/96/775681996.db2.gz XFTDGEWDZCCONY-UHFFFAOYSA-N 1 0 276.358 -1.373 20 30 CAEDRO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464176 775683464 /nfs/dbraw/zinc/68/34/64/775683464.db2.gz SGQBNXNETGZERE-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(C)n1 ZINC001168325802 775688289 /nfs/dbraw/zinc/68/82/89/775688289.db2.gz BEXOIHRMCAGGMB-UHFFFAOYSA-N 1 0 278.316 -1.726 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cnn(C)n1 ZINC001168333521 775688391 /nfs/dbraw/zinc/68/83/91/775688391.db2.gz UATHVLWWFRHUEL-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO Cn1ncc(C(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001168319621 775688907 /nfs/dbraw/zinc/68/89/07/775688907.db2.gz DCZRBTOHNZDHFY-UHFFFAOYSA-N 1 0 279.304 -1.836 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnn(C)n1 ZINC001168333522 775689224 /nfs/dbraw/zinc/68/92/24/775689224.db2.gz UATHVLWWFRHUEL-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO CC(C)C#CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001126815730 775693734 /nfs/dbraw/zinc/69/37/34/775693734.db2.gz KAIFBMVSGJWSOH-UHFFFAOYSA-N 1 0 280.328 -1.097 20 30 CAEDRO CC(C)C#CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001126822488 775694896 /nfs/dbraw/zinc/69/48/96/775694896.db2.gz CPWUNDRRXULEQV-UHFFFAOYSA-N 1 0 275.374 -1.099 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083493608 775699748 /nfs/dbraw/zinc/69/97/48/775699748.db2.gz JYCHUDTXNDZVLD-ZJUUUORDSA-N 1 0 251.290 -1.375 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1C ZINC001126851658 775700695 /nfs/dbraw/zinc/70/06/95/775700695.db2.gz CWTJTQJSYZZRIW-UHFFFAOYSA-N 1 0 263.301 -1.213 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001088792584 775702764 /nfs/dbraw/zinc/70/27/64/775702764.db2.gz WJLWWURIZHKCPH-NEPJUHHUSA-N 1 0 278.356 -1.370 20 30 CAEDRO O=C(C#CC1CC1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001126875733 775704901 /nfs/dbraw/zinc/70/49/01/775704901.db2.gz MCBAKMPGBUMPGP-SNVBAGLBSA-N 1 0 263.297 -1.089 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001083502576 775705251 /nfs/dbraw/zinc/70/52/51/775705251.db2.gz LXNXPAWNCBMFJZ-TUAOUCFPSA-N 1 0 279.340 -1.351 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083520995 775709610 /nfs/dbraw/zinc/70/96/10/775709610.db2.gz HLHYILIQMIEDQE-UTUOFQBUSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001272242687 775711422 /nfs/dbraw/zinc/71/14/22/775711422.db2.gz JBELUXROTMOTSD-UHFFFAOYSA-N 1 0 266.301 -1.020 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 ZINC001083527766 775712222 /nfs/dbraw/zinc/71/22/22/775712222.db2.gz JOBNPPWUEGZDGW-MNOVXSKESA-N 1 0 276.296 -1.316 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083534313 775713615 /nfs/dbraw/zinc/71/36/15/775713615.db2.gz NDARWBGJXWGUHC-YIZRAAEISA-N 1 0 282.300 -2.068 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083534239 775714970 /nfs/dbraw/zinc/71/49/70/775714970.db2.gz JPESKZLUQMFDSV-YIZRAAEISA-N 1 0 280.284 -2.621 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083530130 775715294 /nfs/dbraw/zinc/71/52/94/775715294.db2.gz YKOWBYPGEORHCN-NEPJUHHUSA-N 1 0 295.339 -1.970 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC(N)=O ZINC001272253059 775716921 /nfs/dbraw/zinc/71/69/21/775716921.db2.gz NJASPTQGDDANEJ-ZJUUUORDSA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001083544690 775724039 /nfs/dbraw/zinc/72/40/39/775724039.db2.gz JETJQJVDUVJRHE-UTUOFQBUSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001083544689 775725125 /nfs/dbraw/zinc/72/51/25/775725125.db2.gz JETJQJVDUVJRHE-TUAOUCFPSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C)nn1 ZINC001126926951 775726097 /nfs/dbraw/zinc/72/60/97/775726097.db2.gz WKNBQNXEQVOVHB-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126926680 775726898 /nfs/dbraw/zinc/72/68/98/775726898.db2.gz QNPQQEIVBPUWRE-SECBINFHSA-N 1 0 292.343 -1.501 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076370158 775726994 /nfs/dbraw/zinc/72/69/94/775726994.db2.gz GZPOZQBMAYFHDG-WDEREUQCSA-N 1 0 290.323 -1.296 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083547071 775728371 /nfs/dbraw/zinc/72/83/71/775728371.db2.gz SAOYFQVMKAKHBB-MNOVXSKESA-N 1 0 276.296 -1.020 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724368 775745364 /nfs/dbraw/zinc/74/53/64/775745364.db2.gz RSDBQCRVOUDPTG-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001076760052 775751381 /nfs/dbraw/zinc/75/13/81/775751381.db2.gz GKDQJUXFUFANAH-UTUOFQBUSA-N 1 0 268.313 -1.414 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076811325 775760287 /nfs/dbraw/zinc/76/02/87/775760287.db2.gz KDTBWYMBBCIJMR-IJLUTSLNSA-N 1 0 251.330 -1.125 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001076811159 775761311 /nfs/dbraw/zinc/76/13/11/775761311.db2.gz BPLBPBYGLDTWSG-OUAUKWLOSA-N 1 0 252.318 -1.235 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001076810340 775761494 /nfs/dbraw/zinc/76/14/94/775761494.db2.gz FCKSZXBKSSBNGM-GMTAPVOTSA-N 1 0 265.313 -1.550 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001076838521 775763087 /nfs/dbraw/zinc/76/30/87/775763087.db2.gz BHLJMZPOROXUFH-UPJWGTAASA-N 1 0 281.356 -1.498 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001076873928 775767888 /nfs/dbraw/zinc/76/78/88/775767888.db2.gz PIWPPSBTEJDTIL-QJPTWQEYSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910135 775771707 /nfs/dbraw/zinc/77/17/07/775771707.db2.gz AICGXERVVNILOJ-NXEZZACHSA-N 1 0 281.316 -1.279 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076904893 775771759 /nfs/dbraw/zinc/77/17/59/775771759.db2.gz UOWQUDUHVYGWHW-NXEZZACHSA-N 1 0 281.316 -1.279 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942538 775778736 /nfs/dbraw/zinc/77/87/36/775778736.db2.gz RYLHHJUFCYLVAS-OPRDCNLKSA-N 1 0 269.301 -1.168 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001690 775788161 /nfs/dbraw/zinc/78/81/61/775788161.db2.gz HHSSJZUYDBQJIS-NXEZZACHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003097 775788707 /nfs/dbraw/zinc/78/87/07/775788707.db2.gz SGQBNXNETGZERE-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001077087558 775793171 /nfs/dbraw/zinc/79/31/71/775793171.db2.gz LXNXPAWNCBMFJZ-IJLUTSLNSA-N 1 0 279.340 -1.351 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077142079 775797889 /nfs/dbraw/zinc/79/78/89/775797889.db2.gz QONZBQNTXRKXRU-VXGBXAGGSA-N 1 0 297.355 -1.417 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001077126610 775798088 /nfs/dbraw/zinc/79/80/88/775798088.db2.gz HLHYILIQMIEDQE-QJPTWQEYSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077141184 775798177 /nfs/dbraw/zinc/79/81/77/775798177.db2.gz YKOWBYPGEORHCN-VXGBXAGGSA-N 1 0 295.339 -1.970 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001077175677 775800281 /nfs/dbraw/zinc/80/02/81/775800281.db2.gz JETJQJVDUVJRHE-QJPTWQEYSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264132 775809540 /nfs/dbraw/zinc/80/95/40/775809540.db2.gz FLLFMFJXRBSWPL-GHMZBOCLSA-N 1 0 293.327 -2.234 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001077279880 775811059 /nfs/dbraw/zinc/81/10/59/775811059.db2.gz ZZOQKVOOWQEMAM-QJPTWQEYSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001077279879 775813074 /nfs/dbraw/zinc/81/30/74/775813074.db2.gz ZZOQKVOOWQEMAM-IJLUTSLNSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccn(C)n1 ZINC001126976075 775821323 /nfs/dbraw/zinc/82/13/23/775821323.db2.gz RORIOPYHDKZTLG-NSHDSACASA-N 1 0 291.355 -1.194 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@@H](O)C1 ZINC001083588134 775826286 /nfs/dbraw/zinc/82/62/86/775826286.db2.gz XGPBYNQLWLZOPL-MCIONIFRSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585707 775826655 /nfs/dbraw/zinc/82/66/55/775826655.db2.gz JOMQOZITVIKBCK-ZJUUUORDSA-N 1 0 279.300 -2.624 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585928 775826803 /nfs/dbraw/zinc/82/68/03/775826803.db2.gz ULBXXVHAVFJXNO-MNOVXSKESA-N 1 0 295.343 -1.681 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](O)C1 ZINC001083599194 775829888 /nfs/dbraw/zinc/82/98/88/775829888.db2.gz HKQKAMOXTQXXCF-NEPJUHHUSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001127027760 775836515 /nfs/dbraw/zinc/83/65/15/775836515.db2.gz YENCKJKTKOVUKA-SECBINFHSA-N 1 0 284.316 -1.685 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127027124 775836556 /nfs/dbraw/zinc/83/65/56/775836556.db2.gz JATRCAWPISUJAZ-UHFFFAOYSA-N 1 0 267.329 -1.036 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001127024044 775836632 /nfs/dbraw/zinc/83/66/32/775836632.db2.gz WDTNGKVVFPIJHN-JTQLQIEISA-N 1 0 255.318 -1.004 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127027761 775837419 /nfs/dbraw/zinc/83/74/19/775837419.db2.gz YENCKJKTKOVUKA-VIFPVBQESA-N 1 0 284.316 -1.685 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001127023258 775837540 /nfs/dbraw/zinc/83/75/40/775837540.db2.gz GPCODVJUZBHCDB-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001127031426 775840633 /nfs/dbraw/zinc/84/06/33/775840633.db2.gz BUBYVOVWIVRGCI-LLVKDONJSA-N 1 0 258.318 -1.261 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001127032279 775840713 /nfs/dbraw/zinc/84/07/13/775840713.db2.gz WKYLLWOXMKXGGV-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001127031910 775840925 /nfs/dbraw/zinc/84/09/25/775840925.db2.gz LKNGDJWZBIFFNS-UHFFFAOYSA-N 1 0 282.344 -1.243 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001127045429 775842138 /nfs/dbraw/zinc/84/21/38/775842138.db2.gz AVVQDDXMAJKREP-JTQLQIEISA-N 1 0 276.358 -1.225 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127039537 775842374 /nfs/dbraw/zinc/84/23/74/775842374.db2.gz LOCVBJSUDRHCLU-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127045564 775843369 /nfs/dbraw/zinc/84/33/69/775843369.db2.gz DULGISVGWJPMIK-UWVGGRQHSA-N 1 0 281.312 -1.464 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001127052469 775843520 /nfs/dbraw/zinc/84/35/20/775843520.db2.gz YECNJLZALNULPV-NXEZZACHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001127045566 775843579 /nfs/dbraw/zinc/84/35/79/775843579.db2.gz DULGISVGWJPMIK-ZJUUUORDSA-N 1 0 281.312 -1.464 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001127052024 775843687 /nfs/dbraw/zinc/84/36/87/775843687.db2.gz PQSBGKPWDWCSTO-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001127051785 775843704 /nfs/dbraw/zinc/84/37/04/775843704.db2.gz MVOMYXGRJLDERP-NXEZZACHSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001127051787 775843720 /nfs/dbraw/zinc/84/37/20/775843720.db2.gz MVOMYXGRJLDERP-VHSXEESVSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001127051364 775843797 /nfs/dbraw/zinc/84/37/97/775843797.db2.gz HGEYQGMDNUVHOD-NSHDSACASA-N 1 0 295.339 -1.121 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCC#C ZINC001127045554 775843911 /nfs/dbraw/zinc/84/39/11/775843911.db2.gz DPOVDSHZCSNUPO-NSHDSACASA-N 1 0 265.313 -1.520 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001127045525 775844003 /nfs/dbraw/zinc/84/40/03/775844003.db2.gz DAHOJZHFHGDRFY-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001127047205 775844020 /nfs/dbraw/zinc/84/40/20/775844020.db2.gz ZLTPMEPNPLXLJM-MNOVXSKESA-N 1 0 258.318 -1.262 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCC#C ZINC001127045553 775844082 /nfs/dbraw/zinc/84/40/82/775844082.db2.gz DPOVDSHZCSNUPO-LLVKDONJSA-N 1 0 265.313 -1.520 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001127052472 775844094 /nfs/dbraw/zinc/84/40/94/775844094.db2.gz YECNJLZALNULPV-ZJUUUORDSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001127045883 775844136 /nfs/dbraw/zinc/84/41/36/775844136.db2.gz JLNXPYFGGGMIBO-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001127052470 775844409 /nfs/dbraw/zinc/84/44/09/775844409.db2.gz YECNJLZALNULPV-UWVGGRQHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127046973 775844530 /nfs/dbraw/zinc/84/45/30/775844530.db2.gz XACRBBJKHRHXKO-JTQLQIEISA-N 1 0 255.318 -1.181 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OCC#C ZINC001127051704 775844663 /nfs/dbraw/zinc/84/46/63/775844663.db2.gz LLAWUMZKLDVUMI-VXGBXAGGSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001127052013 775844691 /nfs/dbraw/zinc/84/46/91/775844691.db2.gz PDTRMFPYGHNOEV-IUCAKERBSA-N 1 0 284.316 -1.686 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127057055 775845356 /nfs/dbraw/zinc/84/53/56/775845356.db2.gz SZMODFZBGOVXJE-UHFFFAOYSA-N 1 0 295.343 -1.106 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001127056841 775845383 /nfs/dbraw/zinc/84/53/83/775845383.db2.gz LACVDHBLCAYXEM-OLZOCXBDSA-N 1 0 294.355 -1.012 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@@H](O)C1 ZINC001083664132 775847533 /nfs/dbraw/zinc/84/75/33/775847533.db2.gz FLNQEYCOTYHKEO-UHIISALHSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000912776964 775847790 /nfs/dbraw/zinc/84/77/90/775847790.db2.gz LDNKNFUONBGYBA-ZJUUUORDSA-N 1 0 255.318 -1.059 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@@H](O)C1 ZINC001083664131 775848910 /nfs/dbraw/zinc/84/89/10/775848910.db2.gz FLNQEYCOTYHKEO-SUNKGSAMSA-N 1 0 279.340 -1.303 20 30 CAEDRO C[C@H](NS(C)(=O)=O)C(=O)NCC#CC[NH+](C)C ZINC000913518706 775850156 /nfs/dbraw/zinc/85/01/56/775850156.db2.gz XUNBQXJSSHMURY-VIFPVBQESA-N 1 0 261.347 -1.395 20 30 CAEDRO CN1CCN(CC(=O)NCC#CC[NH+](C)C)CC1=O ZINC000913521067 775850279 /nfs/dbraw/zinc/85/02/79/775850279.db2.gz JVQIICOXQLBJKZ-UHFFFAOYSA-N 1 0 266.345 -1.558 20 30 CAEDRO CCS(=O)(=O)N[C@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913522408 775851082 /nfs/dbraw/zinc/85/10/82/775851082.db2.gz IDZLLTIKFNEZQZ-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO COCC(=O)N(C)CC(=O)NCC#CC[NH+](C)C ZINC000913520813 775851549 /nfs/dbraw/zinc/85/15/49/775851549.db2.gz ZERMKTDQWJSJDX-UHFFFAOYSA-N 1 0 255.318 -1.228 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000913518915 775851578 /nfs/dbraw/zinc/85/15/78/775851578.db2.gz GJMHSRLNDLBTPM-UHFFFAOYSA-N 1 0 275.374 -1.005 20 30 CAEDRO Cn1cnn(CC(=O)NCC#CC[NH+](C)C)c1=O ZINC000913520065 775851595 /nfs/dbraw/zinc/85/15/95/775851595.db2.gz BEDLXBVUMQWYLJ-UHFFFAOYSA-N 1 0 251.290 -1.737 20 30 CAEDRO CN(C)S(=O)(=O)NCC(=O)NCC#CC[NH+](C)C ZINC000913522324 775851633 /nfs/dbraw/zinc/85/16/33/775851633.db2.gz DPGUCFKEDMDAFT-UHFFFAOYSA-N 1 0 276.362 -1.936 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CC(=O)NCC#C)[C@H](OC)C1 ZINC001212150007 775854177 /nfs/dbraw/zinc/85/41/77/775854177.db2.gz MUENBIIHSLPRPY-CHWSQXEVSA-N 1 0 291.351 -1.035 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001212150150 775854278 /nfs/dbraw/zinc/85/42/78/775854278.db2.gz QGEQRJKESMVIEJ-VXGBXAGGSA-N 1 0 297.355 -1.412 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001272363745 775900418 /nfs/dbraw/zinc/90/04/18/775900418.db2.gz ZPMBXBJXJCHILD-ONGXEEELSA-N 1 0 255.318 -1.399 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CO[C@H]1CCOC1 ZINC001127134440 775864005 /nfs/dbraw/zinc/86/40/05/775864005.db2.gz LRGIFWYOZLRUES-JTQLQIEISA-N 1 0 284.316 -1.863 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001105810814 775865008 /nfs/dbraw/zinc/86/50/08/775865008.db2.gz BYMRFZXXSAKSRQ-NXEZZACHSA-N 1 0 252.318 -1.028 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127146848 775867976 /nfs/dbraw/zinc/86/79/76/775867976.db2.gz DDUCGDHHPNQVNB-JTQLQIEISA-N 1 0 270.333 -1.211 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127161168 775869769 /nfs/dbraw/zinc/86/97/69/775869769.db2.gz DAFDFYWAFRQUMM-VHSXEESVSA-N 1 0 299.375 -1.170 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127157345 775869926 /nfs/dbraw/zinc/86/99/26/775869926.db2.gz ZJICDJBNWUWXAI-ZJUUUORDSA-N 1 0 297.359 -1.723 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127155501 775870726 /nfs/dbraw/zinc/87/07/26/775870726.db2.gz QFFVSOZRIRDLDQ-VIFPVBQESA-N 1 0 285.348 -1.559 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106034362 775878539 /nfs/dbraw/zinc/87/85/39/775878539.db2.gz CCMHZHKTNKSMRW-VXGBXAGGSA-N 1 0 281.356 -1.198 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CCn1cnnn1 ZINC001272284911 775887957 /nfs/dbraw/zinc/88/79/57/775887957.db2.gz UYCYZEDLWJQDIJ-UHFFFAOYSA-N 1 0 266.305 -1.893 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077497890 775891286 /nfs/dbraw/zinc/89/12/86/775891286.db2.gz YLXMSIBRTRCFMT-NXEZZACHSA-N 1 0 263.301 -1.089 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077506986 775895168 /nfs/dbraw/zinc/89/51/68/775895168.db2.gz RCXGMPNECCXWRP-GMTAPVOTSA-N 1 0 267.329 -1.140 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)F ZINC001272351466 775896958 /nfs/dbraw/zinc/89/69/58/775896958.db2.gz LMDZMSHRWVRZAE-NXEZZACHSA-N 1 0 287.335 -1.061 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(C)=O ZINC001272351828 775897099 /nfs/dbraw/zinc/89/70/99/775897099.db2.gz PQVFLEYCNVOCMP-PSASIEDQSA-N 1 0 286.332 -1.527 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510211 775897114 /nfs/dbraw/zinc/89/71/14/775897114.db2.gz LYBMOYBGMZCHBT-OUAUKWLOSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CCC1 ZINC001272352473 775897266 /nfs/dbraw/zinc/89/72/66/775897266.db2.gz VAAIOKUFGJYZSI-ZYHUDNBSSA-N 1 0 281.356 -1.009 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC1 ZINC001272350456 775897399 /nfs/dbraw/zinc/89/73/99/775897399.db2.gz AZOVJGBFXMJWJN-SNVBAGLBSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC1 ZINC001272350455 775897474 /nfs/dbraw/zinc/89/74/74/775897474.db2.gz AZOVJGBFXMJWJN-JTQLQIEISA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CCC1 ZINC001272352472 775897611 /nfs/dbraw/zinc/89/76/11/775897611.db2.gz VAAIOKUFGJYZSI-PWSUYJOCSA-N 1 0 281.356 -1.009 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)F ZINC001272351468 775897961 /nfs/dbraw/zinc/89/79/61/775897961.db2.gz LMDZMSHRWVRZAE-VHSXEESVSA-N 1 0 287.335 -1.061 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CCC1 ZINC001272352471 775898162 /nfs/dbraw/zinc/89/81/62/775898162.db2.gz VAAIOKUFGJYZSI-JQWIXIFHSA-N 1 0 281.356 -1.009 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)F ZINC001272351469 775898182 /nfs/dbraw/zinc/89/81/82/775898182.db2.gz LMDZMSHRWVRZAE-ZJUUUORDSA-N 1 0 287.335 -1.061 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)F ZINC001272351467 775898323 /nfs/dbraw/zinc/89/83/23/775898323.db2.gz LMDZMSHRWVRZAE-UWVGGRQHSA-N 1 0 287.335 -1.061 20 30 CAEDRO COCC(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272344908 775898346 /nfs/dbraw/zinc/89/83/46/775898346.db2.gz YGGXCTILLGEACZ-MRVPVSSYSA-N 1 0 258.278 -2.661 20 30 CAEDRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)CSCC#N ZINC001272370378 775899008 /nfs/dbraw/zinc/89/90/08/775899008.db2.gz BRGWDXWOVJAWRI-JTQLQIEISA-N 1 0 298.372 -1.361 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)C ZINC001272363722 775899081 /nfs/dbraw/zinc/89/90/81/775899081.db2.gz ZNFIZHHTWSGFDV-JTQLQIEISA-N 1 0 255.318 -1.542 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc[nH]1 ZINC001272363436 775899390 /nfs/dbraw/zinc/89/93/90/775899390.db2.gz XQRWJXKXDXYBHQ-JTQLQIEISA-N 1 0 278.312 -1.556 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001272361526 775899693 /nfs/dbraw/zinc/89/96/93/775899693.db2.gz HNUMJWQHBFWGKU-VIFPVBQESA-N 1 0 298.299 -2.419 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001272360394 775899749 /nfs/dbraw/zinc/89/97/49/775899749.db2.gz BYDSYEYCTLABDL-NSHDSACASA-N 1 0 284.312 -1.409 20 30 CAEDRO Cn1ncnc1CNC[C@@H](O)CNC(=O)CSCC#N ZINC001272373638 775901110 /nfs/dbraw/zinc/90/11/10/775901110.db2.gz YKHDVPSIKCMJSP-SECBINFHSA-N 1 0 298.372 -1.361 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001272373751 775901545 /nfs/dbraw/zinc/90/15/45/775901545.db2.gz YXJSOZCUCMUFNU-NSHDSACASA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001272372949 775902056 /nfs/dbraw/zinc/90/20/56/775902056.db2.gz TZHFEJATJDRNNW-SECBINFHSA-N 1 0 264.347 -1.326 20 30 CAEDRO Cn1cc(CNC[C@@H](O)CNC(=O)CSCC#N)nn1 ZINC001272373286 775902073 /nfs/dbraw/zinc/90/20/73/775902073.db2.gz WMRIFWCVYUWQLG-SNVBAGLBSA-N 1 0 298.372 -1.361 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001272381134 775902585 /nfs/dbraw/zinc/90/25/85/775902585.db2.gz QGYANTOHHWIMBZ-WDEREUQCSA-N 1 0 299.375 -1.080 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001272381063 775902617 /nfs/dbraw/zinc/90/26/17/775902617.db2.gz PGBFSFSARIYBSX-ZJUUUORDSA-N 1 0 266.301 -2.038 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001272388200 775902868 /nfs/dbraw/zinc/90/28/68/775902868.db2.gz BLCCCUDRCFUGDQ-NSHDSACASA-N 1 0 295.343 -1.546 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001272388939 775903002 /nfs/dbraw/zinc/90/30/02/775903002.db2.gz JDDHSZNECXYYPY-QWRGUYRKSA-N 1 0 298.343 -1.881 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001272388940 775903371 /nfs/dbraw/zinc/90/33/71/775903371.db2.gz JDDHSZNECXYYPY-WDEREUQCSA-N 1 0 298.343 -1.881 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001272388938 775903442 /nfs/dbraw/zinc/90/34/42/775903442.db2.gz JDDHSZNECXYYPY-MNOVXSKESA-N 1 0 298.343 -1.881 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077512913 775904570 /nfs/dbraw/zinc/90/45/70/775904570.db2.gz SPPUZERCLUZGCB-HBNTYKKESA-N 1 0 265.313 -1.693 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077512836 775904818 /nfs/dbraw/zinc/90/48/18/775904818.db2.gz QCFUJSNPSVZSKP-GMTAPVOTSA-N 1 0 267.329 -1.140 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001272398327 775905002 /nfs/dbraw/zinc/90/50/02/775905002.db2.gz OVGPVGZDDAGRQZ-JTQLQIEISA-N 1 0 295.343 -1.597 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001272406550 775906780 /nfs/dbraw/zinc/90/67/80/775906780.db2.gz LXMNTCQAGVEAOZ-SECBINFHSA-N 1 0 251.290 -1.481 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001272399544 775906977 /nfs/dbraw/zinc/90/69/77/775906977.db2.gz XSPNOLYCSIJAMP-NEPJUHHUSA-N 1 0 295.343 -1.444 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001272407119 775907426 /nfs/dbraw/zinc/90/74/26/775907426.db2.gz WVQVFFFWXKSIEE-UWVGGRQHSA-N 1 0 298.343 -1.560 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)CNCc1nnnn1C ZINC001272406623 775907723 /nfs/dbraw/zinc/90/77/23/775907723.db2.gz NJXOFJYTOIDUNY-SNVBAGLBSA-N 1 0 280.332 -1.564 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cn1ncnn1 ZINC001272413732 775908519 /nfs/dbraw/zinc/90/85/19/775908519.db2.gz IACSWFGPAIDPEU-JTQLQIEISA-N 1 0 282.304 -2.610 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCOCCO ZINC001272415697 775908659 /nfs/dbraw/zinc/90/86/59/775908659.db2.gz ZSLRUIKSVLUWHP-LBPRGKRZSA-N 1 0 270.329 -1.525 20 30 CAEDRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001272414944 775908710 /nfs/dbraw/zinc/90/87/10/775908710.db2.gz SXSBAEDNFBDTNQ-WPRPVWTQSA-N 1 0 253.302 -1.660 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001272413569 775908983 /nfs/dbraw/zinc/90/89/83/775908983.db2.gz DVYJDQPZNJCBDD-IUCAKERBSA-N 1 0 257.290 -2.423 20 30 CAEDRO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001272414940 775909279 /nfs/dbraw/zinc/90/92/79/775909279.db2.gz SXSBAEDNFBDTNQ-SCZZXKLOSA-N 1 0 253.302 -1.660 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001272415486 775909470 /nfs/dbraw/zinc/90/94/70/775909470.db2.gz YJKFLCRTCZYDKZ-LBPRGKRZSA-N 1 0 277.328 -1.242 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001272413733 775909756 /nfs/dbraw/zinc/90/97/56/775909756.db2.gz IACSWFGPAIDPEU-SNVBAGLBSA-N 1 0 282.304 -2.610 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001272413567 775910004 /nfs/dbraw/zinc/91/00/04/775910004.db2.gz DVYJDQPZNJCBDD-DTWKUNHWSA-N 1 0 257.290 -2.423 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001272434146 775911156 /nfs/dbraw/zinc/91/11/56/775911156.db2.gz AWWLKYNDLBEFRL-NXEZZACHSA-N 1 0 255.318 -1.283 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001272443127 775911238 /nfs/dbraw/zinc/91/12/38/775911238.db2.gz LLPLJYJULUZBFD-SECBINFHSA-N 1 0 264.285 -1.906 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001272443715 775911794 /nfs/dbraw/zinc/91/17/94/775911794.db2.gz OSHSCVIPUBFLIE-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001272434148 775911839 /nfs/dbraw/zinc/91/18/39/775911839.db2.gz AWWLKYNDLBEFRL-VHSXEESVSA-N 1 0 255.318 -1.283 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001083692334 775912275 /nfs/dbraw/zinc/91/22/75/775912275.db2.gz IJYWJACVFMFTIG-ZJUUUORDSA-N 1 0 263.301 -1.089 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001272462644 775912872 /nfs/dbraw/zinc/91/28/72/775912872.db2.gz WZNJDDNJUSKKSQ-OLZOCXBDSA-N 1 0 283.372 -1.203 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001272462279 775912966 /nfs/dbraw/zinc/91/29/66/775912966.db2.gz UZQKSRJIOOQNPG-JTQLQIEISA-N 1 0 296.327 -1.408 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001272445600 775912991 /nfs/dbraw/zinc/91/29/91/775912991.db2.gz ZNBZHVDHZCSNTK-JTQLQIEISA-N 1 0 294.311 -1.488 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCOC ZINC001272444068 775913694 /nfs/dbraw/zinc/91/36/94/775913694.db2.gz RIQSLDUATQJCAP-OLZOCXBDSA-N 1 0 283.372 -1.203 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001272444392 775914042 /nfs/dbraw/zinc/91/40/42/775914042.db2.gz TZJDEMWGRVLMTR-UWVGGRQHSA-N 1 0 255.318 -1.235 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001272462646 775914259 /nfs/dbraw/zinc/91/42/59/775914259.db2.gz WZNJDDNJUSKKSQ-STQMWFEESA-N 1 0 283.372 -1.203 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001272462715 775914645 /nfs/dbraw/zinc/91/46/45/775914645.db2.gz YNIGOIXAKOFWAV-NEPJUHHUSA-N 1 0 297.355 -1.771 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001272462717 775916274 /nfs/dbraw/zinc/91/62/74/775916274.db2.gz YNIGOIXAKOFWAV-RYUDHWBXSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700525 775919059 /nfs/dbraw/zinc/91/90/59/775919059.db2.gz OQISHXPWHFZZBX-VWYCJHECSA-N 1 0 280.328 -1.805 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001272487956 775920281 /nfs/dbraw/zinc/92/02/81/775920281.db2.gz JKZBCZXJKKGHQT-JTQLQIEISA-N 1 0 283.332 -1.775 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001272488625 775920417 /nfs/dbraw/zinc/92/04/17/775920417.db2.gz PUDYELVSLXCLBA-QWRGUYRKSA-N 1 0 288.369 -1.346 20 30 CAEDRO Cc1cocc1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272497333 775921872 /nfs/dbraw/zinc/92/18/72/775921872.db2.gz WMWUGOJLBSJSDG-JTQLQIEISA-N 1 0 294.311 -1.092 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001272505083 775923684 /nfs/dbraw/zinc/92/36/84/775923684.db2.gz SQQICNTYXILDQT-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272504298 775923990 /nfs/dbraw/zinc/92/39/90/775923990.db2.gz MXBZKALTGXVLLJ-RKDXNWHRSA-N 1 0 254.290 -2.242 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272504837 775923874 /nfs/dbraw/zinc/92/38/74/775923874.db2.gz RATCUCXQTASLKN-IUCAKERBSA-N 1 0 256.306 -1.689 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272504836 775923941 /nfs/dbraw/zinc/92/39/41/775923941.db2.gz RATCUCXQTASLKN-DTWKUNHWSA-N 1 0 256.306 -1.689 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001272505080 775924006 /nfs/dbraw/zinc/92/40/06/775924006.db2.gz SQQICNTYXILDQT-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272505581 775924368 /nfs/dbraw/zinc/92/43/68/775924368.db2.gz XSHXDSVLTWAPML-IUCAKERBSA-N 1 0 256.306 -1.689 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272504294 775924459 /nfs/dbraw/zinc/92/44/59/775924459.db2.gz MXBZKALTGXVLLJ-BDAKNGLRSA-N 1 0 254.290 -2.242 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001272513621 775926433 /nfs/dbraw/zinc/92/64/33/775926433.db2.gz QGIYICBBPRZALO-SKDRFNHKSA-N 1 0 255.318 -1.092 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001272513733 775926479 /nfs/dbraw/zinc/92/64/79/775926479.db2.gz QYBPULAULZWWLA-SECBINFHSA-N 1 0 266.301 -1.171 20 30 CAEDRO N#Cc1ccccc1C[NH2+]C[C@H](O)CNC(=O)C(N)=O ZINC001272513343 775926885 /nfs/dbraw/zinc/92/68/85/775926885.db2.gz OTQUIJSUNKPFNC-NSHDSACASA-N 1 0 276.296 -1.390 20 30 CAEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(N)=O)cc1 ZINC001272514242 775927818 /nfs/dbraw/zinc/92/78/18/775927818.db2.gz ULWUQBPSJFRDNV-LLVKDONJSA-N 1 0 276.296 -1.390 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001272528626 775930173 /nfs/dbraw/zinc/93/01/73/775930173.db2.gz CIFHKAOQFPRZOJ-MNOVXSKESA-N 1 0 294.355 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001272530555 775930839 /nfs/dbraw/zinc/93/08/39/775930839.db2.gz XGKDTVAWRYIKNH-RYUDHWBXSA-N 1 0 293.367 -1.007 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001272538062 775931008 /nfs/dbraw/zinc/93/10/08/775931008.db2.gz ZUFHHBNNYLYPQO-VIFPVBQESA-N 1 0 293.389 -1.433 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272546838 775931683 /nfs/dbraw/zinc/93/16/83/775931683.db2.gz VBJQZKARDWEMNB-SECBINFHSA-N 1 0 267.285 -2.261 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001272553011 775932376 /nfs/dbraw/zinc/93/23/76/775932376.db2.gz NKUPPZXWUNJCIY-SECBINFHSA-N 1 0 254.294 -1.684 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCn1cnnn1 ZINC001272552535 775932781 /nfs/dbraw/zinc/93/27/81/775932781.db2.gz GADRDRNBUIACSG-JTQLQIEISA-N 1 0 266.305 -1.847 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001272559492 775933279 /nfs/dbraw/zinc/93/32/79/775933279.db2.gz JMKHNNOHVHLZOB-VIFPVBQESA-N 1 0 251.290 -1.563 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001272561575 775933308 /nfs/dbraw/zinc/93/33/08/775933308.db2.gz YYKQQLQXVGXDOJ-ZJUUUORDSA-N 1 0 255.318 -1.092 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083710916 775938844 /nfs/dbraw/zinc/93/88/44/775938844.db2.gz PTMLLDMZOAFSLY-MXWKQRLJSA-N 1 0 265.313 -1.741 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001272574800 775940506 /nfs/dbraw/zinc/94/05/06/775940506.db2.gz KRRMXFFAUPFCNA-SNVBAGLBSA-N 1 0 278.312 -1.516 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001272575863 775941928 /nfs/dbraw/zinc/94/19/28/775941928.db2.gz SAXUXMHYGRFTTN-ZJUUUORDSA-N 1 0 296.327 -1.935 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1nccnc1C(N)=O ZINC001272576299 775942174 /nfs/dbraw/zinc/94/21/74/775942174.db2.gz YHISXKDSVJYTLM-MRVPVSSYSA-N 1 0 277.284 -2.111 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001272582659 775945254 /nfs/dbraw/zinc/94/52/54/775945254.db2.gz BKPBQRJTDWHKEG-RYUDHWBXSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001272583063 775945778 /nfs/dbraw/zinc/94/57/78/775945778.db2.gz DQIWUIXRHSPCIA-SNVBAGLBSA-N 1 0 295.343 -1.597 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001083721355 775946097 /nfs/dbraw/zinc/94/60/97/775946097.db2.gz ZNPDGCQJTOHQMM-UTUOFQBUSA-N 1 0 279.340 -1.208 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001272582657 775946986 /nfs/dbraw/zinc/94/69/86/775946986.db2.gz BKPBQRJTDWHKEG-NWDGAFQWSA-N 1 0 291.355 -1.070 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001272584088 775948445 /nfs/dbraw/zinc/94/84/45/775948445.db2.gz LPYDBCPQCTWXPR-WDEREUQCSA-N 1 0 277.328 -1.460 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001077534836 775949664 /nfs/dbraw/zinc/94/96/64/775949664.db2.gz LTTLWDIHSZKXKO-QJPTWQEYSA-N 1 0 279.340 -1.351 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001106265191 775950433 /nfs/dbraw/zinc/95/04/33/775950433.db2.gz XSKBLRBXIMVFQQ-MXWKQRLJSA-N 1 0 292.339 -1.098 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001272592616 775955301 /nfs/dbraw/zinc/95/53/01/775955301.db2.gz OTHASOKBRITCIS-MNOVXSKESA-N 1 0 290.385 -1.243 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC ZINC001122965095 775957727 /nfs/dbraw/zinc/95/77/27/775957727.db2.gz CTHZSBBJMOSJPY-UHFFFAOYSA-N 1 0 286.332 -1.260 20 30 CAEDRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106612731 775959601 /nfs/dbraw/zinc/95/96/01/775959601.db2.gz LGNFYRRUBJFZKD-RKDXNWHRSA-N 1 0 281.316 -2.204 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001106708209 775960718 /nfs/dbraw/zinc/96/07/18/775960718.db2.gz LRVFEPLIBNNGBP-MXWKQRLJSA-N 1 0 292.339 -1.098 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCO1 ZINC001123142956 775962164 /nfs/dbraw/zinc/96/21/64/775962164.db2.gz BNIPOMQVNLPWRY-SNVBAGLBSA-N 1 0 298.343 -1.117 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001168504397 775967889 /nfs/dbraw/zinc/96/78/89/775967889.db2.gz SHAREGKZQRRVJN-GFCCVEGCSA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348120 775968227 /nfs/dbraw/zinc/96/82/27/775968227.db2.gz OCKIJRLXPVHTSI-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001083752309 775975214 /nfs/dbraw/zinc/97/52/14/775975214.db2.gz OFJHYOHJJCVEPU-KOLCDFICSA-N 1 0 278.312 -1.076 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001280566101 775977050 /nfs/dbraw/zinc/97/70/50/775977050.db2.gz KYRHKIBHYRIMCK-RYUDHWBXSA-N 1 0 285.344 -1.028 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+]CCOCCO ZINC001123792153 775981607 /nfs/dbraw/zinc/98/16/07/775981607.db2.gz KPBAUQFDCSVHRP-UHFFFAOYSA-N 1 0 261.347 -1.042 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2ncnn2)C1=O ZINC001127438989 775982134 /nfs/dbraw/zinc/98/21/34/775982134.db2.gz ZOQGEBNLHHPVRD-SNVBAGLBSA-N 1 0 293.331 -1.834 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127438708 775982836 /nfs/dbraw/zinc/98/28/36/775982836.db2.gz SZGWNKQCZXJDHL-UHFFFAOYSA-N 1 0 252.278 -1.971 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127438703 775983188 /nfs/dbraw/zinc/98/31/88/775983188.db2.gz SSQXQRQNOBMXMV-UHFFFAOYSA-N 1 0 254.294 -1.419 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127443585 775984248 /nfs/dbraw/zinc/98/42/48/775984248.db2.gz XVHPYKKSXCIGDW-SECBINFHSA-N 1 0 279.304 -2.483 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449761 775984783 /nfs/dbraw/zinc/98/47/83/775984783.db2.gz RMKUWJKQRARONA-SECBINFHSA-N 1 0 281.320 -1.930 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H](O)C1 ZINC001083758071 775984818 /nfs/dbraw/zinc/98/48/18/775984818.db2.gz JDTRWUPEFPXQAD-SUNKGSAMSA-N 1 0 279.340 -1.160 20 30 CAEDRO COc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)ncn1 ZINC001127459000 775986309 /nfs/dbraw/zinc/98/63/09/775986309.db2.gz RRPFDGICQOKYNJ-UHFFFAOYSA-N 1 0 292.299 -1.556 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)CNC(=O)OC ZINC001272673971 775989537 /nfs/dbraw/zinc/98/95/37/775989537.db2.gz YPJPTAGGBKEZHV-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123963172 775990285 /nfs/dbraw/zinc/99/02/85/775990285.db2.gz OPHRYQXUGCWXHD-SECBINFHSA-N 1 0 256.306 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127554477 775990377 /nfs/dbraw/zinc/99/03/77/775990377.db2.gz YCHPHYCJKVSSQW-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C[C@H]1CC(=O)N[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001127554479 775990479 /nfs/dbraw/zinc/99/04/79/775990479.db2.gz YJQUJKMASPBXFZ-NXEZZACHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccnn1C ZINC001127583677 775995129 /nfs/dbraw/zinc/99/51/29/775995129.db2.gz RPYJBTQVEBCOPU-SNVBAGLBSA-N 1 0 292.343 -1.131 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccnn1C ZINC001127583676 775995361 /nfs/dbraw/zinc/99/53/61/775995361.db2.gz RPYJBTQVEBCOPU-JTQLQIEISA-N 1 0 292.343 -1.131 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214338009 775996106 /nfs/dbraw/zinc/99/61/06/775996106.db2.gz IKKQSOVPNNOIAA-IWSPIJDZSA-N 1 0 281.316 -1.223 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214338008 775996992 /nfs/dbraw/zinc/99/69/92/775996992.db2.gz IKKQSOVPNNOIAA-DJLDLDEBSA-N 1 0 281.316 -1.223 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CCC ZINC001124343609 776000010 /nfs/dbraw/zinc/00/00/10/776000010.db2.gz CXKOIIBCIRKXIE-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127690200 776002597 /nfs/dbraw/zinc/00/25/97/776002597.db2.gz HCLOYVULJRUYQK-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)[C@@H](O)C1 ZINC001083770128 776003044 /nfs/dbraw/zinc/00/30/44/776003044.db2.gz UUMDUDMTYWOQKO-TUAOUCFPSA-N 1 0 279.340 -1.160 20 30 CAEDRO Cn1nccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124540409 776003467 /nfs/dbraw/zinc/00/34/67/776003467.db2.gz XAKWZOREGAEVSE-UHFFFAOYSA-N 1 0 264.289 -1.621 20 30 CAEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001124487920 776003903 /nfs/dbraw/zinc/00/39/03/776003903.db2.gz JCFDULCDHHNVLS-VIFPVBQESA-N 1 0 286.332 -1.132 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCOC1 ZINC001124495916 776004277 /nfs/dbraw/zinc/00/42/77/776004277.db2.gz SUQIENWNWFZINM-VIFPVBQESA-N 1 0 254.290 -1.632 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124500716 776004412 /nfs/dbraw/zinc/00/44/12/776004412.db2.gz DDYXMIBGGJKZOT-SNVBAGLBSA-N 1 0 298.343 -1.260 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001106959893 776005361 /nfs/dbraw/zinc/00/53/61/776005361.db2.gz VFJMLVSLIYPKQW-GHMZBOCLSA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)OC ZINC001124594958 776006124 /nfs/dbraw/zinc/00/61/24/776006124.db2.gz QTYVISIHMRDBTB-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)OC ZINC001124557157 776006343 /nfs/dbraw/zinc/00/63/43/776006343.db2.gz WHHCELMEJKSVKS-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776373 776008380 /nfs/dbraw/zinc/00/83/80/776008380.db2.gz RQGKIGKDXFTNRL-NOOOWODRSA-N 1 0 297.355 -1.243 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083775760 776008413 /nfs/dbraw/zinc/00/84/13/776008413.db2.gz HIKHUAPRSNOUPR-NOOOWODRSA-N 1 0 295.339 -1.796 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCOC1 ZINC001124687385 776010378 /nfs/dbraw/zinc/01/03/78/776010378.db2.gz VFSXVBVJNGLUOC-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001124767925 776010828 /nfs/dbraw/zinc/01/08/28/776010828.db2.gz OMSQWIXUKVJQNR-LBPRGKRZSA-N 1 0 290.360 -1.081 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001124767923 776011133 /nfs/dbraw/zinc/01/11/33/776011133.db2.gz OMSQWIXUKVJQNR-GFCCVEGCSA-N 1 0 290.360 -1.081 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001124765368 776011205 /nfs/dbraw/zinc/01/12/05/776011205.db2.gz VKUNBJMMKWZYDI-UHFFFAOYSA-N 1 0 286.332 -1.260 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC(=O)NCC ZINC001124732480 776011765 /nfs/dbraw/zinc/01/17/65/776011765.db2.gz OAQCVEAYDGVUFP-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001124888405 776015203 /nfs/dbraw/zinc/01/52/03/776015203.db2.gz JEMUORZGRUFOGM-MRVPVSSYSA-N 1 0 281.316 -1.160 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)CC ZINC001124861082 776015257 /nfs/dbraw/zinc/01/52/57/776015257.db2.gz DUULFWCUYJTZCP-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO CCC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124873509 776015836 /nfs/dbraw/zinc/01/58/36/776015836.db2.gz WGFZZRGKPQBTEO-UHFFFAOYSA-N 1 0 269.305 -2.142 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CC ZINC001124882984 776015868 /nfs/dbraw/zinc/01/58/68/776015868.db2.gz KKFSQYXTISRUMS-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001124888406 776016343 /nfs/dbraw/zinc/01/63/43/776016343.db2.gz JEMUORZGRUFOGM-QMMMGPOBSA-N 1 0 281.316 -1.160 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001124898062 776017127 /nfs/dbraw/zinc/01/71/27/776017127.db2.gz YERHNQGYMBMBJC-JGVFFNPUSA-N 1 0 252.274 -1.343 20 30 CAEDRO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124896091 776017358 /nfs/dbraw/zinc/01/73/58/776017358.db2.gz LRIPLZQLVQOEAW-WDEREUQCSA-N 1 0 273.333 -1.124 20 30 CAEDRO COCCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124908516 776017520 /nfs/dbraw/zinc/01/75/20/776017520.db2.gz MPMCXCWDCWKUDE-UHFFFAOYSA-N 1 0 272.305 -2.005 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124898069 776017656 /nfs/dbraw/zinc/01/76/56/776017656.db2.gz YERHNQGYMBMBJC-YUMQZZPRSA-N 1 0 252.274 -1.343 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908513 776018035 /nfs/dbraw/zinc/01/80/35/776018035.db2.gz MKSVKXWHEWEMEM-VHSXEESVSA-N 1 0 250.302 -1.010 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908514 776018056 /nfs/dbraw/zinc/01/80/56/776018056.db2.gz MKSVKXWHEWEMEM-ZJUUUORDSA-N 1 0 250.302 -1.010 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124895951 776018093 /nfs/dbraw/zinc/01/80/93/776018093.db2.gz JUMYCEPOIJUXRX-SECBINFHSA-N 1 0 253.306 -1.123 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124895957 776018134 /nfs/dbraw/zinc/01/81/34/776018134.db2.gz JUMYCEPOIJUXRX-VIFPVBQESA-N 1 0 253.306 -1.123 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124901937 776018157 /nfs/dbraw/zinc/01/81/57/776018157.db2.gz FNCNYGWAFOAYJJ-VHSXEESVSA-N 1 0 296.327 -1.638 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908511 776018226 /nfs/dbraw/zinc/01/82/26/776018226.db2.gz MKSVKXWHEWEMEM-NXEZZACHSA-N 1 0 250.302 -1.010 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124903944 776018251 /nfs/dbraw/zinc/01/82/51/776018251.db2.gz URIFGEVTYZHHCS-MRVPVSSYSA-N 1 0 262.335 -1.599 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCCOC ZINC001124941791 776019668 /nfs/dbraw/zinc/01/96/68/776019668.db2.gz PSYKIDSUGVPESM-NSHDSACASA-N 1 0 285.344 -1.507 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCCOC ZINC001124941790 776019762 /nfs/dbraw/zinc/01/97/62/776019762.db2.gz PSYKIDSUGVPESM-LLVKDONJSA-N 1 0 285.344 -1.507 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC(N)=O)C1=O ZINC001125085277 776023651 /nfs/dbraw/zinc/02/36/51/776023651.db2.gz WMFRYALFJHWKLU-SECBINFHSA-N 1 0 268.317 -1.646 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CC(N)=O)C1=O ZINC001125085278 776024205 /nfs/dbraw/zinc/02/42/05/776024205.db2.gz WMFRYALFJHWKLU-VIFPVBQESA-N 1 0 268.317 -1.646 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125095652 776024992 /nfs/dbraw/zinc/02/49/92/776024992.db2.gz VZWRXNHOAMBXIR-QMMMGPOBSA-N 1 0 299.331 -2.032 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125095651 776025594 /nfs/dbraw/zinc/02/55/94/776025594.db2.gz VZWRXNHOAMBXIR-MRVPVSSYSA-N 1 0 299.331 -2.032 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125203978 776027519 /nfs/dbraw/zinc/02/75/19/776027519.db2.gz WPLFPEQEJQEZLV-VXGBXAGGSA-N 1 0 298.387 -1.287 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCOC1 ZINC001125119162 776028069 /nfs/dbraw/zinc/02/80/69/776028069.db2.gz ZSBBQCZLKQKDAI-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125227256 776028949 /nfs/dbraw/zinc/02/89/49/776028949.db2.gz PHEFLYJOSHYIRF-RYUDHWBXSA-N 1 0 296.371 -1.839 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125220649 776030202 /nfs/dbraw/zinc/03/02/02/776030202.db2.gz KJUCCUAMGVJUFC-GFCCVEGCSA-N 1 0 269.345 -1.327 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]12C[C@H]1COC2 ZINC001127743407 776037909 /nfs/dbraw/zinc/03/79/09/776037909.db2.gz NDAPCITYSSSOFG-GWCFXTLKSA-N 1 0 265.313 -1.522 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783410 776038719 /nfs/dbraw/zinc/03/87/19/776038719.db2.gz QSUNNNQUIGGRNV-YTWAJWBKSA-N 1 0 265.313 -1.708 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]12C[C@H]1COC2 ZINC001127754146 776039013 /nfs/dbraw/zinc/03/90/13/776039013.db2.gz XQXVOCRWBRBSGT-MJVIPROJSA-N 1 0 279.340 -1.133 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077599084 776041028 /nfs/dbraw/zinc/04/10/28/776041028.db2.gz NCJXNICQZHAYIS-IVZWLZJFSA-N 1 0 268.317 -1.595 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001077632735 776051070 /nfs/dbraw/zinc/05/10/70/776051070.db2.gz JDTRWUPEFPXQAD-GYSYKLTISA-N 1 0 279.340 -1.160 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](O)C1 ZINC001083785275 776053822 /nfs/dbraw/zinc/05/38/22/776053822.db2.gz ORHIMPXYVXQUPW-LOWDOPEQSA-N 1 0 293.367 -1.105 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077687738 776058131 /nfs/dbraw/zinc/05/81/31/776058131.db2.gz WEQHPVWODKROCA-LMLFDSFASA-N 1 0 267.329 -1.155 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001077687162 776058764 /nfs/dbraw/zinc/05/87/64/776058764.db2.gz AJYMPEFWHJVVSG-UMSGYPCISA-N 1 0 293.367 -1.105 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001127860535 776061973 /nfs/dbraw/zinc/06/19/73/776061973.db2.gz QALDVPGKMOWKFE-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077754601 776066399 /nfs/dbraw/zinc/06/63/99/776066399.db2.gz JHKYEIAZYZDYCE-IVZWLZJFSA-N 1 0 296.327 -1.678 20 30 CAEDRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127968328 776073517 /nfs/dbraw/zinc/07/35/17/776073517.db2.gz ZFWKXEISIFFMBT-SECBINFHSA-N 1 0 299.331 -2.517 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)CC ZINC001127974706 776075298 /nfs/dbraw/zinc/07/52/98/776075298.db2.gz ZNLOEVJDLSEBMF-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@H](OC)C1 ZINC001212375604 776079032 /nfs/dbraw/zinc/07/90/32/776079032.db2.gz JZSKHLAEXGZPOA-GHMZBOCLSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001272791311 776079209 /nfs/dbraw/zinc/07/92/09/776079209.db2.gz PZNZPGXNZFJDAF-SNVBAGLBSA-N 1 0 292.343 -1.115 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC001168606227 776081649 /nfs/dbraw/zinc/08/16/49/776081649.db2.gz FAULUZVWHPQFPG-UHFFFAOYSA-N 1 0 254.290 -1.180 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC001168607159 776081887 /nfs/dbraw/zinc/08/18/87/776081887.db2.gz QJJRVKJXDNJPOD-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO C=CCNC(=O)CN1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099611415 776085373 /nfs/dbraw/zinc/08/53/73/776085373.db2.gz QOBFYRNZWZFLFU-QWRGUYRKSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833258 776088903 /nfs/dbraw/zinc/08/89/03/776088903.db2.gz BYOWPUWSGDBXJN-GHMZBOCLSA-N 1 0 293.323 -1.776 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077831046 776089000 /nfs/dbraw/zinc/08/90/00/776089000.db2.gz GDOIJQGLADQYND-GHMZBOCLSA-N 1 0 295.339 -1.223 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077851847 776096045 /nfs/dbraw/zinc/09/60/45/776096045.db2.gz ITJMQJGFECEVOG-NXEZZACHSA-N 1 0 296.327 -1.724 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128098391 776101154 /nfs/dbraw/zinc/10/11/54/776101154.db2.gz HWYAEMUIJDQMBN-UHFFFAOYSA-N 1 0 274.342 -1.613 20 30 CAEDRO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCC(N)=O ZINC001116595702 776107652 /nfs/dbraw/zinc/10/76/52/776107652.db2.gz ZVTWSIUTMNISRO-UHFFFAOYSA-N 1 0 280.332 -1.026 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001078105560 776118939 /nfs/dbraw/zinc/11/89/39/776118939.db2.gz GBAUBOTVGIQGER-JHJVBQTASA-N 1 0 297.355 -1.419 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078142408 776127605 /nfs/dbraw/zinc/12/76/05/776127605.db2.gz VUYOZEIABZSGJK-GHMZBOCLSA-N 1 0 263.301 -1.537 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146616 776128209 /nfs/dbraw/zinc/12/82/09/776128209.db2.gz QQMCXNLIVQTGGT-NXEZZACHSA-N 1 0 296.327 -1.724 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144572 776128768 /nfs/dbraw/zinc/12/87/68/776128768.db2.gz WFHYFTWFXYCBHD-NXEZZACHSA-N 1 0 296.327 -1.724 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 ZINC001078174774 776129909 /nfs/dbraw/zinc/12/99/09/776129909.db2.gz RWSSSQDCDCFHPG-GMTAPVOTSA-N 1 0 252.318 -1.377 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001078183230 776130062 /nfs/dbraw/zinc/13/00/62/776130062.db2.gz HIKVAJFDEQBEOI-VXGBXAGGSA-N 1 0 290.323 -1.088 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 ZINC001078174775 776130673 /nfs/dbraw/zinc/13/06/73/776130673.db2.gz RWSSSQDCDCFHPG-HBNTYKKESA-N 1 0 252.318 -1.377 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001078209511 776132045 /nfs/dbraw/zinc/13/20/45/776132045.db2.gz HYTGATAIRMVTJN-MCIONIFRSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001078289052 776136928 /nfs/dbraw/zinc/13/69/28/776136928.db2.gz BGCLOJZJUXXKAB-HBNTYKKESA-N 1 0 293.323 -1.776 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001078289051 776138249 /nfs/dbraw/zinc/13/82/49/776138249.db2.gz BGCLOJZJUXXKAB-GMTAPVOTSA-N 1 0 293.323 -1.776 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099635639 776139488 /nfs/dbraw/zinc/13/94/88/776139488.db2.gz HGVLOAQOXFQBEH-NWDGAFQWSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099635640 776139523 /nfs/dbraw/zinc/13/95/23/776139523.db2.gz HGVLOAQOXFQBEH-RYUDHWBXSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001078294961 776140075 /nfs/dbraw/zinc/14/00/75/776140075.db2.gz OJWZYRNQSXPLHD-HBNTYKKESA-N 1 0 295.339 -1.223 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1nccn1 ZINC001128269881 776156176 /nfs/dbraw/zinc/15/61/76/776156176.db2.gz VJVGMSWWHGLRTJ-UHFFFAOYSA-N 1 0 251.290 -1.366 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1nccn1 ZINC001128269642 776156222 /nfs/dbraw/zinc/15/62/22/776156222.db2.gz NUAGFKYAZSAIMP-UHFFFAOYSA-N 1 0 265.277 -2.376 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nccn1 ZINC001128280497 776159022 /nfs/dbraw/zinc/15/90/22/776159022.db2.gz ZMJBZPKBXVGVKO-JTQLQIEISA-N 1 0 280.332 -1.325 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1nccn1 ZINC001128280498 776159090 /nfs/dbraw/zinc/15/90/90/776159090.db2.gz ZMJBZPKBXVGVKO-SNVBAGLBSA-N 1 0 280.332 -1.325 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001272993451 776171704 /nfs/dbraw/zinc/17/17/04/776171704.db2.gz ICOGUPCJXVBXEE-ZETCQYMHSA-N 1 0 255.278 -2.404 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C(N)=O ZINC001272992403 776172438 /nfs/dbraw/zinc/17/24/38/776172438.db2.gz BUNUVIUFWGCVQT-SECBINFHSA-N 1 0 281.316 -1.918 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055822 776176721 /nfs/dbraw/zinc/17/67/21/776176721.db2.gz YYUXKWBXFWDUKH-WDEREUQCSA-N 1 0 278.316 -1.752 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054940 776176769 /nfs/dbraw/zinc/17/67/69/776176769.db2.gz NJWOATQYDRXBBH-QWRGUYRKSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054779 776177474 /nfs/dbraw/zinc/17/74/74/776177474.db2.gz MEPWPMLKRZRHIO-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056342 776178576 /nfs/dbraw/zinc/17/85/76/776178576.db2.gz FWUSPYJTXHBXOZ-NXEZZACHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)nn1 ZINC001083843716 776188970 /nfs/dbraw/zinc/18/89/70/776188970.db2.gz VJYDXGHOBZYTAF-FOGDFJRCSA-N 1 0 295.343 -1.380 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1nnc[nH]1 ZINC001168738549 776190157 /nfs/dbraw/zinc/19/01/57/776190157.db2.gz FRVUCVQAVXRYBO-UHFFFAOYSA-N 1 0 264.289 -1.736 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603928 776199279 /nfs/dbraw/zinc/19/92/79/776199279.db2.gz PVCXRVZJYCFFIE-UHFFFAOYSA-N 1 0 291.373 -1.767 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC001128618841 776201114 /nfs/dbraw/zinc/20/11/14/776201114.db2.gz BPTCHAPSQKETOU-UHFFFAOYSA-N 1 0 287.360 -1.000 20 30 CAEDRO CCN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001128644415 776201676 /nfs/dbraw/zinc/20/16/76/776201676.db2.gz RHEPCELOMYDFEV-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001128643210 776202400 /nfs/dbraw/zinc/20/24/00/776202400.db2.gz GOIWSADNDHRLGA-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001128644164 776202547 /nfs/dbraw/zinc/20/25/47/776202547.db2.gz PEEKXYGFYQPXEB-LLVKDONJSA-N 1 0 267.329 -1.180 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001128643211 776202646 /nfs/dbraw/zinc/20/26/46/776202646.db2.gz GOIWSADNDHRLGA-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128664248 776204071 /nfs/dbraw/zinc/20/40/71/776204071.db2.gz CEASMWYBOCSLSV-SNVBAGLBSA-N 1 0 280.328 -2.080 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665877 776205746 /nfs/dbraw/zinc/20/57/46/776205746.db2.gz VSMRHKWYBCLNAY-JTQLQIEISA-N 1 0 282.344 -1.527 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128686960 776206843 /nfs/dbraw/zinc/20/68/43/776206843.db2.gz ZWTDRZTTWYRAPA-UHFFFAOYSA-N 1 0 298.343 -2.406 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128691909 776209222 /nfs/dbraw/zinc/20/92/22/776209222.db2.gz OYVOZENCADGDRJ-UHFFFAOYSA-N 1 0 285.344 -1.505 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128727338 776210938 /nfs/dbraw/zinc/21/09/38/776210938.db2.gz FZPGHYAVTCCXJP-LLVKDONJSA-N 1 0 295.339 -1.121 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083856244 776211252 /nfs/dbraw/zinc/21/12/52/776211252.db2.gz SEOBRCMCZWWUCW-TUAOUCFPSA-N 1 0 279.340 -1.160 20 30 CAEDRO C#CC[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128764098 776211824 /nfs/dbraw/zinc/21/18/24/776211824.db2.gz REXOAGUTOVXEHR-UHFFFAOYSA-N 1 0 264.285 -2.114 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128763900 776213029 /nfs/dbraw/zinc/21/30/29/776213029.db2.gz LVMKPYRTSLOCRH-UHFFFAOYSA-N 1 0 278.312 -1.724 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)NC ZINC001128789040 776214220 /nfs/dbraw/zinc/21/42/20/776214220.db2.gz CTPKCZQCPRGGEQ-UHFFFAOYSA-N 1 0 269.305 -2.629 20 30 CAEDRO CNC(=O)NCC(=O)NCC[NH2+]CC#CCOC ZINC001128789445 776214269 /nfs/dbraw/zinc/21/42/69/776214269.db2.gz GGXQVOTUORKTPW-UHFFFAOYSA-N 1 0 256.306 -1.729 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)NC ZINC001128789502 776214800 /nfs/dbraw/zinc/21/48/00/776214800.db2.gz HSYRCWFXNUFASJ-UHFFFAOYSA-N 1 0 271.321 -2.077 20 30 CAEDRO CNC(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128790565 776216708 /nfs/dbraw/zinc/21/67/08/776216708.db2.gz XKVLXVPADMEFAO-UHFFFAOYSA-N 1 0 270.293 -2.739 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128815006 776217254 /nfs/dbraw/zinc/21/72/54/776217254.db2.gz ZWUXSCRURLZSKW-UHFFFAOYSA-N 1 0 261.347 -1.086 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128800657 776217932 /nfs/dbraw/zinc/21/79/32/776217932.db2.gz YBUNCXUZCJYJEF-SECBINFHSA-N 1 0 283.332 -2.241 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128823516 776218054 /nfs/dbraw/zinc/21/80/54/776218054.db2.gz LGCQNXXIEMZABZ-UHFFFAOYSA-N 1 0 273.358 -1.249 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090203705 776222792 /nfs/dbraw/zinc/22/27/92/776222792.db2.gz IYILMACZABIQJY-KGLIPLIRSA-N 1 0 295.383 -1.107 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198317 776223098 /nfs/dbraw/zinc/22/30/98/776223098.db2.gz WNNDQDDDSNRQPJ-VHSXEESVSA-N 1 0 281.316 -1.279 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198295 776223221 /nfs/dbraw/zinc/22/32/21/776223221.db2.gz WIORDKLCQSOTFY-GHMZBOCLSA-N 1 0 293.327 -1.442 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198318 776223323 /nfs/dbraw/zinc/22/33/23/776223323.db2.gz WNNDQDDDSNRQPJ-ZJUUUORDSA-N 1 0 281.316 -1.279 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198315 776223519 /nfs/dbraw/zinc/22/35/19/776223519.db2.gz WNNDQDDDSNRQPJ-NXEZZACHSA-N 1 0 281.316 -1.279 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198297 776223879 /nfs/dbraw/zinc/22/38/79/776223879.db2.gz WIORDKLCQSOTFY-QWRGUYRKSA-N 1 0 293.327 -1.442 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(F)CCOCC1 ZINC001128980866 776228715 /nfs/dbraw/zinc/22/87/15/776228715.db2.gz HDQJZRNFEUBARP-UHFFFAOYSA-N 1 0 285.319 -1.040 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128967381 776229489 /nfs/dbraw/zinc/22/94/89/776229489.db2.gz OLKSSOQPFXHRKW-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC001117988657 776237478 /nfs/dbraw/zinc/23/74/78/776237478.db2.gz ZLCQYWOMHLLZQV-LLVKDONJSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC001117973078 776238237 /nfs/dbraw/zinc/23/82/37/776238237.db2.gz NVPCAUYKCKPNML-QWRGUYRKSA-N 1 0 297.355 -1.018 20 30 CAEDRO N#CCSCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099687092 776258524 /nfs/dbraw/zinc/25/85/24/776258524.db2.gz PFXZKANWEUBPFL-ZJUUUORDSA-N 1 0 273.358 -1.213 20 30 CAEDRO C[NH+]1CCN(CCC(=O)N[C@@H](C#N)C(N)=O)CC1 ZINC001143237108 776242803 /nfs/dbraw/zinc/24/28/03/776242803.db2.gz DVQMASIQYZNNEA-VIFPVBQESA-N 1 0 253.306 -1.882 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869001 776249805 /nfs/dbraw/zinc/24/98/05/776249805.db2.gz ITJMQJGFECEVOG-ZJUUUORDSA-N 1 0 296.327 -1.724 20 30 CAEDRO CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108168917 776257193 /nfs/dbraw/zinc/25/71/93/776257193.db2.gz HXDDWSCTHINUSI-FZMZJTMJSA-N 1 0 294.355 -1.102 20 30 CAEDRO N#CCSCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099687089 776257233 /nfs/dbraw/zinc/25/72/33/776257233.db2.gz PFXZKANWEUBPFL-NXEZZACHSA-N 1 0 273.358 -1.213 20 30 CAEDRO N#CCSCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099687090 776257279 /nfs/dbraw/zinc/25/72/79/776257279.db2.gz PFXZKANWEUBPFL-UWVGGRQHSA-N 1 0 273.358 -1.213 20 30 CAEDRO CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108168918 776257770 /nfs/dbraw/zinc/25/77/70/776257770.db2.gz HXDDWSCTHINUSI-RISCZKNCSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268572 776259275 /nfs/dbraw/zinc/25/92/75/776259275.db2.gz NOIZNFGCRLOROJ-WDEREUQCSA-N 1 0 280.332 -1.199 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268259 776260079 /nfs/dbraw/zinc/26/00/79/776260079.db2.gz IOONLJZEVXOOHG-WDEREUQCSA-N 1 0 278.316 -1.752 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268073 776260159 /nfs/dbraw/zinc/26/01/59/776260159.db2.gz GMRPANPZKFXNFP-VHSXEESVSA-N 1 0 266.305 -1.590 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268072 776260229 /nfs/dbraw/zinc/26/02/29/776260229.db2.gz GMRPANPZKFXNFP-UWVGGRQHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270027 776261662 /nfs/dbraw/zinc/26/16/62/776261662.db2.gz VMZASVKCYLMUPL-QWRGUYRKSA-N 1 0 280.332 -1.199 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270652 776262429 /nfs/dbraw/zinc/26/24/29/776262429.db2.gz YKEBWVBESVBTGQ-MNOVXSKESA-N 1 0 278.316 -1.752 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270654 776263059 /nfs/dbraw/zinc/26/30/59/776263059.db2.gz YKEBWVBESVBTGQ-QWRGUYRKSA-N 1 0 278.316 -1.752 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CCC1 ZINC001273167240 776263917 /nfs/dbraw/zinc/26/39/17/776263917.db2.gz XUIOVDYXNOCIAC-NSHDSACASA-N 1 0 294.355 -1.372 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129291621 776270703 /nfs/dbraw/zinc/27/07/03/776270703.db2.gz YVQIFPUHAQEDFN-SECBINFHSA-N 1 0 281.316 -2.142 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129303992 776275597 /nfs/dbraw/zinc/27/55/97/776275597.db2.gz MXKTVQYRNKWPDQ-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129303994 776276579 /nfs/dbraw/zinc/27/65/79/776276579.db2.gz MXKTVQYRNKWPDQ-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129305308 776278019 /nfs/dbraw/zinc/27/80/19/776278019.db2.gz VGYLKKRQYNAYRI-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083895334 776282654 /nfs/dbraw/zinc/28/26/54/776282654.db2.gz RXVCHUXZFHHHQK-NEPJUHHUSA-N 1 0 290.323 -1.088 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298134 776287016 /nfs/dbraw/zinc/28/70/16/776287016.db2.gz NGJFATYXWZNOOY-NWDGAFQWSA-N 1 0 277.328 -1.147 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298516 776287251 /nfs/dbraw/zinc/28/72/51/776287251.db2.gz QFOUPXGNEXSXTP-VXGBXAGGSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001090325999 776292950 /nfs/dbraw/zinc/29/29/50/776292950.db2.gz GPGYYYRLURDIEI-RYUDHWBXSA-N 1 0 297.355 -1.417 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001090326000 776292967 /nfs/dbraw/zinc/29/29/67/776292967.db2.gz GPGYYYRLURDIEI-VXGBXAGGSA-N 1 0 297.355 -1.417 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730947 776311831 /nfs/dbraw/zinc/31/18/31/776311831.db2.gz XEXHYOHLNKRDGE-NXEZZACHSA-N 1 0 290.327 -1.553 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079860376 776314021 /nfs/dbraw/zinc/31/40/21/776314021.db2.gz CWVJKPDDQFCFDW-VXGBXAGGSA-N 1 0 279.340 -1.085 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080258259 776321802 /nfs/dbraw/zinc/32/18/02/776321802.db2.gz XKUYOJGXIONQDJ-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001080359260 776324382 /nfs/dbraw/zinc/32/43/82/776324382.db2.gz GTFKIKZJJACCLK-KXUCPTDWSA-N 1 0 250.302 -1.263 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906434 776339105 /nfs/dbraw/zinc/33/91/05/776339105.db2.gz BQWMKVNCVYIGOV-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001081334479 776360229 /nfs/dbraw/zinc/36/02/29/776360229.db2.gz UREHNDWXVOPFLF-GHMZBOCLSA-N 1 0 278.316 -1.488 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081811268 776396358 /nfs/dbraw/zinc/39/63/58/776396358.db2.gz PLOOQPDGIKTXFX-HZSPNIEDSA-N 1 0 295.383 -1.108 20 30 CAEDRO OC[C@@H]1CN(CC#CC[N@@H+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822477 776409555 /nfs/dbraw/zinc/40/95/55/776409555.db2.gz JTASQSYSXATCDM-XUXIUFHCSA-N 1 0 284.356 -2.440 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090372847 776410603 /nfs/dbraw/zinc/41/06/03/776410603.db2.gz AVSUHMLGGCDCJF-MNOVXSKESA-N 1 0 295.343 -1.681 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090372848 776411235 /nfs/dbraw/zinc/41/12/35/776411235.db2.gz AVSUHMLGGCDCJF-QWRGUYRKSA-N 1 0 295.343 -1.681 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC001118902493 776417445 /nfs/dbraw/zinc/41/74/45/776417445.db2.gz MHVGISPTNDLIDB-UWVGGRQHSA-N 1 0 253.302 -1.347 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001082567127 776418788 /nfs/dbraw/zinc/41/87/88/776418788.db2.gz JSMZRHMEGLVLSW-KXUCPTDWSA-N 1 0 278.312 -1.346 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760046 776420342 /nfs/dbraw/zinc/42/03/42/776420342.db2.gz CSSONBODEOSHKG-UWVGGRQHSA-N 1 0 253.302 -1.564 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757842 776420469 /nfs/dbraw/zinc/42/04/69/776420469.db2.gz KKUMZWPOOYHHTL-GHMZBOCLSA-N 1 0 285.344 -1.384 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757844 776420558 /nfs/dbraw/zinc/42/05/58/776420558.db2.gz KKUMZWPOOYHHTL-QWRGUYRKSA-N 1 0 285.344 -1.384 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001082714608 776421781 /nfs/dbraw/zinc/42/17/81/776421781.db2.gz RXXZKYGRRJDMDK-KXUCPTDWSA-N 1 0 250.302 -1.263 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001090388799 776424954 /nfs/dbraw/zinc/42/49/54/776424954.db2.gz SPQODCRJOWRNOH-ONGXEEELSA-N 1 0 263.301 -1.007 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001090388796 776425312 /nfs/dbraw/zinc/42/53/12/776425312.db2.gz SPQODCRJOWRNOH-KOLCDFICSA-N 1 0 263.301 -1.007 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001082927096 776425362 /nfs/dbraw/zinc/42/53/62/776425362.db2.gz KUABBNSYHAPZTJ-OUAUKWLOSA-N 1 0 285.369 -1.252 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030960 776429810 /nfs/dbraw/zinc/42/98/10/776429810.db2.gz KNTGNLYJVPDJMG-WDEREUQCSA-N 1 0 265.313 -1.203 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099789788 776432297 /nfs/dbraw/zinc/43/22/97/776432297.db2.gz RUHLGDSZNLBZFY-QWRGUYRKSA-N 1 0 283.328 -2.330 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099789787 776432814 /nfs/dbraw/zinc/43/28/14/776432814.db2.gz RUHLGDSZNLBZFY-MNOVXSKESA-N 1 0 283.328 -2.330 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC#CC)C[C@H]1O ZINC001099790252 776433325 /nfs/dbraw/zinc/43/33/25/776433325.db2.gz ZNZBBXSAWXZWFB-QWHCGFSZSA-N 1 0 291.351 -1.299 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791684 776435121 /nfs/dbraw/zinc/43/51/21/776435121.db2.gz IZCFFMITPGFIPN-RYUDHWBXSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791683 776435228 /nfs/dbraw/zinc/43/52/28/776435228.db2.gz IZCFFMITPGFIPN-NWDGAFQWSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791682 776435254 /nfs/dbraw/zinc/43/52/54/776435254.db2.gz IZCFFMITPGFIPN-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 ZINC001083180175 776436024 /nfs/dbraw/zinc/43/60/24/776436024.db2.gz WGNFMHCAYUPPSE-SDDRHHMPSA-N 1 0 292.339 -1.397 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001084029861 776440455 /nfs/dbraw/zinc/44/04/55/776440455.db2.gz WUBQVKAEFZRVGJ-NEPJUHHUSA-N 1 0 290.323 -1.422 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033500 776440742 /nfs/dbraw/zinc/44/07/42/776440742.db2.gz VUYOZEIABZSGJK-MNOVXSKESA-N 1 0 263.301 -1.537 20 30 CAEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 ZINC001084053094 776443316 /nfs/dbraw/zinc/44/33/16/776443316.db2.gz RWSSSQDCDCFHPG-MXWKQRLJSA-N 1 0 252.318 -1.377 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 ZINC001084053093 776443573 /nfs/dbraw/zinc/44/35/73/776443573.db2.gz RWSSSQDCDCFHPG-AXFHLTTASA-N 1 0 252.318 -1.377 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](O)C1 ZINC001084120019 776447357 /nfs/dbraw/zinc/44/73/57/776447357.db2.gz FPFGACNFINBYJO-WOPDTQHZSA-N 1 0 294.355 -1.286 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084101645 776448809 /nfs/dbraw/zinc/44/88/09/776448809.db2.gz VOJPTVIUBWUNAO-NEPJUHHUSA-N 1 0 288.307 -1.411 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001084127699 776449000 /nfs/dbraw/zinc/44/90/00/776449000.db2.gz UFTGZAMWVRINED-MJBXVCDLSA-N 1 0 295.383 -1.108 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129351 776449786 /nfs/dbraw/zinc/44/97/86/776449786.db2.gz OJWZYRNQSXPLHD-AXFHLTTASA-N 1 0 295.339 -1.223 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129352 776450360 /nfs/dbraw/zinc/45/03/60/776450360.db2.gz OJWZYRNQSXPLHD-MXWKQRLJSA-N 1 0 295.339 -1.223 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129071 776450580 /nfs/dbraw/zinc/45/05/80/776450580.db2.gz FSIGXMQITODDLQ-MXWKQRLJSA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813171 776458899 /nfs/dbraw/zinc/45/88/99/776458899.db2.gz KXBSWWBVOIZOFJ-NWDGAFQWSA-N 1 0 296.371 -1.120 20 30 CAEDRO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099826162 776460582 /nfs/dbraw/zinc/46/05/82/776460582.db2.gz HBPUOXHYNNFNII-UONOGXRCSA-N 1 0 296.367 -1.040 20 30 CAEDRO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099826163 776461444 /nfs/dbraw/zinc/46/14/44/776461444.db2.gz HBPUOXHYNNFNII-ZIAGYGMSSA-N 1 0 296.367 -1.040 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001273238706 776461793 /nfs/dbraw/zinc/46/17/93/776461793.db2.gz ZEIJTZSIPGGBPO-MNOVXSKESA-N 1 0 285.344 -1.120 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)CC)CCO1 ZINC001273236069 776462302 /nfs/dbraw/zinc/46/23/02/776462302.db2.gz IEYXRWWDLWKZRT-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001273238707 776462766 /nfs/dbraw/zinc/46/27/66/776462766.db2.gz ZEIJTZSIPGGBPO-QWRGUYRKSA-N 1 0 285.344 -1.120 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099858372 776464144 /nfs/dbraw/zinc/46/41/44/776464144.db2.gz KXCQWXVDUSRCIT-VHSXEESVSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CCO1 ZINC001273252566 776465890 /nfs/dbraw/zinc/46/58/90/776465890.db2.gz UCKCRYRGXKVNIU-CYBMUJFWSA-N 1 0 279.340 -1.085 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCO1 ZINC001273260815 776466939 /nfs/dbraw/zinc/46/69/39/776466939.db2.gz MYLUEVMFQCLYJN-WDEREUQCSA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001273332804 776483233 /nfs/dbraw/zinc/48/32/33/776483233.db2.gz SJSGPRMZLRVPOE-GFCCVEGCSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCO1 ZINC001154859058 776483245 /nfs/dbraw/zinc/48/32/45/776483245.db2.gz VFQIRMPEXMTGSJ-LLVKDONJSA-N 1 0 283.328 -1.753 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974322 776483371 /nfs/dbraw/zinc/48/33/71/776483371.db2.gz PYAAEHOCSYIYSR-UWVGGRQHSA-N 1 0 271.317 -1.774 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099975882 776484119 /nfs/dbraw/zinc/48/41/19/776484119.db2.gz IIXNGDZTHJANTI-ZJUUUORDSA-N 1 0 267.329 -1.011 20 30 CAEDRO C=CCCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973856 776484257 /nfs/dbraw/zinc/48/42/57/776484257.db2.gz JXWJCQPSJWIIHS-ZJUUUORDSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CS(C)(=O)=O ZINC001155302876 776499623 /nfs/dbraw/zinc/49/96/23/776499623.db2.gz XQBXNZVATAVZSJ-UHFFFAOYSA-N 1 0 289.357 -2.124 20 30 CAEDRO CS(=O)(=O)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155302671 776501396 /nfs/dbraw/zinc/50/13/96/776501396.db2.gz VRYIDWWASNFFQU-UHFFFAOYSA-N 1 0 290.345 -2.233 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046325 776503221 /nfs/dbraw/zinc/50/32/21/776503221.db2.gz KKYOXZVRTUEDKK-NEPJUHHUSA-N 1 0 292.343 -1.362 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086212532 776504222 /nfs/dbraw/zinc/50/42/22/776504222.db2.gz QNZIPFHAYDPBBN-AEJSXWLSSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086275392 776505449 /nfs/dbraw/zinc/50/54/49/776505449.db2.gz ZXPHISXTBAXOFL-OUAUKWLOSA-N 1 0 285.369 -1.204 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074144 776509317 /nfs/dbraw/zinc/50/93/17/776509317.db2.gz JPEXBTXCVRAXMS-STQMWFEESA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074131 776509624 /nfs/dbraw/zinc/50/96/24/776509624.db2.gz JPEXBTXCVRAXMS-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155712741 776509815 /nfs/dbraw/zinc/50/98/15/776509815.db2.gz RLPFVAODYLLWLN-UHFFFAOYSA-N 1 0 272.305 -1.520 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001086464729 776511389 /nfs/dbraw/zinc/51/13/89/776511389.db2.gz FLXNEGRMUONMMO-OPRDCNLKSA-N 1 0 250.302 -1.215 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001086464728 776512206 /nfs/dbraw/zinc/51/22/06/776512206.db2.gz FLXNEGRMUONMMO-GUBZILKMSA-N 1 0 250.302 -1.215 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001098454301 776514834 /nfs/dbraw/zinc/51/48/34/776514834.db2.gz BANNDMQDMUYTNQ-UHFFFAOYSA-N 1 0 292.343 -1.258 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnon1 ZINC001168874353 776516604 /nfs/dbraw/zinc/51/66/04/776516604.db2.gz CEMPRYODUBGLFY-UHFFFAOYSA-N 1 0 265.273 -1.472 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccncn1 ZINC001168804212 776517106 /nfs/dbraw/zinc/51/71/06/776517106.db2.gz HLHMGCUWGGMYSS-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO CN(c1cnc(C#N)c(C#N)n1)S(=O)(=O)CC[NH3+] ZINC001156239654 776519946 /nfs/dbraw/zinc/51/99/46/776519946.db2.gz YHQBYBUMMHWLJP-UHFFFAOYSA-N 1 0 266.286 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ncccn1 ZINC001168950861 776520142 /nfs/dbraw/zinc/52/01/42/776520142.db2.gz ZOGUFORPQILVDI-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169100222 776521744 /nfs/dbraw/zinc/52/17/44/776521744.db2.gz CXWDLOFLSDDXHU-UHFFFAOYSA-N 1 0 294.319 -2.201 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1ncc[nH]1 ZINC001169204142 776522183 /nfs/dbraw/zinc/52/21/83/776522183.db2.gz ISGRKRAMEQFWDK-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C[Si](C)(C)C#C[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169972283 776544431 /nfs/dbraw/zinc/54/44/31/776544431.db2.gz SGLSNDBNJAGMMU-ILAIQSSSSA-N 1 0 275.377 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CC(N)=O ZINC001169898606 776537569 /nfs/dbraw/zinc/53/75/69/776537569.db2.gz CZAANXSGKKFBTB-NSHDSACASA-N 1 0 296.371 -1.124 20 30 CAEDRO Cc1nonc1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001169870213 776538260 /nfs/dbraw/zinc/53/82/60/776538260.db2.gz KEBORZXQYBPHPG-UHFFFAOYSA-N 1 0 294.315 -1.344 20 30 CAEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)CC(N)=O ZINC001169928878 776539185 /nfs/dbraw/zinc/53/91/85/776539185.db2.gz YESQYHAFAYTBMR-JTQLQIEISA-N 1 0 297.359 -1.234 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108754693 776541187 /nfs/dbraw/zinc/54/11/87/776541187.db2.gz LCRLGJSRBSCUTR-AXFHLTTASA-N 1 0 294.355 -1.257 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1COC(=O)C1 ZINC001156579888 776546978 /nfs/dbraw/zinc/54/69/78/776546978.db2.gz QZYHLIUIWCGFDZ-LLVKDONJSA-N 1 0 295.339 -1.215 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109175684 776548914 /nfs/dbraw/zinc/54/89/14/776548914.db2.gz WKMCZBVPCRHYTC-WOPDTQHZSA-N 1 0 279.340 -1.160 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CN1CCOCC1 ZINC001156770284 776550291 /nfs/dbraw/zinc/55/02/91/776550291.db2.gz OMMBJKPGNJHGGB-UHFFFAOYSA-N 1 0 297.359 -1.946 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001156848137 776552612 /nfs/dbraw/zinc/55/26/12/776552612.db2.gz SQKNFQFFJUHTKL-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]C[C@@H](C)O ZINC001156848069 776552700 /nfs/dbraw/zinc/55/27/00/776552700.db2.gz PMODGRSFHKYPEM-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO Cn1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)nn1 ZINC001157454356 776577974 /nfs/dbraw/zinc/57/79/74/776577974.db2.gz LULVEUUWKSWNPO-UHFFFAOYSA-N 1 0 279.304 -1.836 20 30 CAEDRO C=CC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465013 776578366 /nfs/dbraw/zinc/57/83/66/776578366.db2.gz RDQDXDBHGULNBB-UHFFFAOYSA-N 1 0 255.318 -1.057 20 30 CAEDRO C=CCC[NH+]1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001113156438 776578887 /nfs/dbraw/zinc/57/88/87/776578887.db2.gz FOTSPQGZXPWZTF-UHFFFAOYSA-N 1 0 290.389 -1.240 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 ZINC001113631020 776590846 /nfs/dbraw/zinc/59/08/46/776590846.db2.gz SUXLMSGCIVBFDJ-LBPRGKRZSA-N 1 0 293.371 -1.278 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(C)=O ZINC001113787558 776595442 /nfs/dbraw/zinc/59/54/42/776595442.db2.gz OVUGCAHMISKRTL-IMRBUKKESA-N 1 0 279.340 -1.181 20 30 CAEDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001170170967 776597138 /nfs/dbraw/zinc/59/71/38/776597138.db2.gz VUTCYTZESQVRNY-OJEZURLMSA-N 1 0 291.344 -1.824 20 30 CAEDRO CC[C@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001170170962 776597237 /nfs/dbraw/zinc/59/72/37/776597237.db2.gz VUTCYTZESQVRNY-DVWMECQTSA-N 1 0 291.344 -1.824 20 30 CAEDRO CC[C@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001170170965 776597593 /nfs/dbraw/zinc/59/75/93/776597593.db2.gz VUTCYTZESQVRNY-KISRQWFGSA-N 1 0 291.344 -1.824 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001170310390 776600149 /nfs/dbraw/zinc/60/01/49/776600149.db2.gz HRXGTCROHUBYDF-LLVKDONJSA-N 1 0 296.371 -1.124 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113842719 776601400 /nfs/dbraw/zinc/60/14/00/776601400.db2.gz YDNGALNTQRJNSP-JZYVYDRUSA-N 1 0 250.302 -1.276 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114034786 776607528 /nfs/dbraw/zinc/60/75/28/776607528.db2.gz LNQAFVAXGRBMJD-CZXHOFHRSA-N 1 0 291.351 -1.039 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114101883 776612503 /nfs/dbraw/zinc/61/25/03/776612503.db2.gz XLWYROVTGPSHSO-QISWUMQESA-N 1 0 294.355 -1.401 20 30 CAEDRO Cn1ccc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001157808885 776613376 /nfs/dbraw/zinc/61/33/76/776613376.db2.gz JASRVAWXXQVMAH-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114095996 776614009 /nfs/dbraw/zinc/61/40/09/776614009.db2.gz SZZFENHIKSKSPG-IWIIMEHWSA-N 1 0 265.313 -1.442 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114160073 776614128 /nfs/dbraw/zinc/61/41/28/776614128.db2.gz QXNVDXMPEDIUDR-KZWBYHQPSA-N 1 0 279.340 -1.447 20 30 CAEDRO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001114180953 776616410 /nfs/dbraw/zinc/61/64/10/776616410.db2.gz UKKZYFPXBMTLPP-YABSGUDNSA-N 1 0 279.340 -1.181 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114203653 776617404 /nfs/dbraw/zinc/61/74/04/776617404.db2.gz HFTCXMKMPSVNIX-KXNHARMFSA-N 1 0 293.323 -1.209 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+]CC(=O)NC ZINC001157845763 776617997 /nfs/dbraw/zinc/61/79/97/776617997.db2.gz BGGRLCUSYWOKOB-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288111 776619184 /nfs/dbraw/zinc/61/91/84/776619184.db2.gz UGCCFMLEVALRJC-PJXYFTJBSA-N 1 0 292.343 -1.078 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001157869106 776620932 /nfs/dbraw/zinc/62/09/32/776620932.db2.gz GNQOEZKGOKWQBY-JTQLQIEISA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001157869123 776621005 /nfs/dbraw/zinc/62/10/05/776621005.db2.gz HABOCJNKDXNDHO-SNVBAGLBSA-N 1 0 280.332 -1.156 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001157870020 776621055 /nfs/dbraw/zinc/62/10/55/776621055.db2.gz VQCMGNYRCZQEKE-WDEREUQCSA-N 1 0 295.339 -1.074 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001157869107 776621839 /nfs/dbraw/zinc/62/18/39/776621839.db2.gz GNQOEZKGOKWQBY-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129550584 776622803 /nfs/dbraw/zinc/62/28/03/776622803.db2.gz HAPRRLUOCOBQLL-UHFFFAOYSA-N 1 0 296.327 -2.700 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129537340 776623462 /nfs/dbraw/zinc/62/34/62/776623462.db2.gz UKLDBXMQLBBYSB-NEPJUHHUSA-N 1 0 292.343 -1.058 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129573660 776624967 /nfs/dbraw/zinc/62/49/67/776624967.db2.gz SAZVELRTNXZOND-ZJUUUORDSA-N 1 0 291.315 -2.079 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC ZINC001129771421 776627641 /nfs/dbraw/zinc/62/76/41/776627641.db2.gz WVPQEJIPCCZHTB-NSHDSACASA-N 1 0 266.345 -1.464 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001129770400 776628223 /nfs/dbraw/zinc/62/82/23/776628223.db2.gz GBNCPQGPMNGVAY-NEPJUHHUSA-N 1 0 280.372 -1.076 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001129771366 776627891 /nfs/dbraw/zinc/62/78/91/776627891.db2.gz WQLDIQFHQZZJDZ-ZDUSSCGKSA-N 1 0 283.372 -1.201 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001129770578 776628034 /nfs/dbraw/zinc/62/80/34/776628034.db2.gz JISXGLIISJHFIM-NEPJUHHUSA-N 1 0 278.356 -1.322 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129774474 776628136 /nfs/dbraw/zinc/62/81/36/776628136.db2.gz CKEDKSANEHVZMW-LBPRGKRZSA-N 1 0 291.355 -1.570 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001129771058 776628251 /nfs/dbraw/zinc/62/82/51/776628251.db2.gz PLDWEDIYYSWFES-JTQLQIEISA-N 1 0 252.318 -1.725 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743807 776628369 /nfs/dbraw/zinc/62/83/69/776628369.db2.gz WMXFFBHKMRJIHA-QMMMGPOBSA-N 1 0 254.290 -1.134 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001129770597 776628384 /nfs/dbraw/zinc/62/83/84/776628384.db2.gz JOUAHTSXDKIVMK-STQMWFEESA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129749228 776628411 /nfs/dbraw/zinc/62/84/11/776628411.db2.gz BBKDECACFUGVDL-QMMMGPOBSA-N 1 0 252.274 -1.686 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802770 776629506 /nfs/dbraw/zinc/62/95/06/776629506.db2.gz OGNOLTLKGQWRMI-JQWIXIFHSA-N 1 0 285.344 -1.202 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129865228 776631247 /nfs/dbraw/zinc/63/12/47/776631247.db2.gz GTNWVYKTQBTPRT-CQSZACIVSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129865225 776631259 /nfs/dbraw/zinc/63/12/59/776631259.db2.gz GTNWVYKTQBTPRT-AWEZNQCLSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129936238 776633051 /nfs/dbraw/zinc/63/30/51/776633051.db2.gz XROXMKRYCGDXIM-SECBINFHSA-N 1 0 282.344 -1.658 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129953645 776633784 /nfs/dbraw/zinc/63/37/84/776633784.db2.gz MSRSSMSSLAZHJX-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129953273 776633916 /nfs/dbraw/zinc/63/39/16/776633916.db2.gz GYKUJNZUXGBSPA-JTQLQIEISA-N 1 0 282.344 -1.479 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129953644 776634220 /nfs/dbraw/zinc/63/42/20/776634220.db2.gz MSRSSMSSLAZHJX-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129953274 776634502 /nfs/dbraw/zinc/63/45/02/776634502.db2.gz GYKUJNZUXGBSPA-SNVBAGLBSA-N 1 0 282.344 -1.479 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129953536 776634663 /nfs/dbraw/zinc/63/46/63/776634663.db2.gz KMQJYQSASUESRU-SECBINFHSA-N 1 0 281.316 -2.142 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129953701 776634767 /nfs/dbraw/zinc/63/47/67/776634767.db2.gz OEPUJBFYEDCLNP-SNVBAGLBSA-N 1 0 280.328 -2.032 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129957789 776635529 /nfs/dbraw/zinc/63/55/29/776635529.db2.gz TVZUWDCICJLZRI-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129957791 776635568 /nfs/dbraw/zinc/63/55/68/776635568.db2.gz TVZUWDCICJLZRI-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129958213 776636136 /nfs/dbraw/zinc/63/61/36/776636136.db2.gz ZKMBGAJCOXXWTF-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129957790 776636401 /nfs/dbraw/zinc/63/64/01/776636401.db2.gz TVZUWDCICJLZRI-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129990800 776637336 /nfs/dbraw/zinc/63/73/36/776637336.db2.gz JGFWCOWDQXWMED-UHFFFAOYSA-N 1 0 277.284 -1.749 20 30 CAEDRO C=CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988454 776637707 /nfs/dbraw/zinc/63/77/07/776637707.db2.gz SGTRMQPIXFAJAM-ZJUUUORDSA-N 1 0 278.316 -1.319 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130031620 776638367 /nfs/dbraw/zinc/63/83/67/776638367.db2.gz RFWHWTZVBFDXRZ-SECBINFHSA-N 1 0 281.316 -1.999 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041148 776638893 /nfs/dbraw/zinc/63/88/93/776638893.db2.gz CIUWKQALSMFLAV-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO COC1CC(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001130024807 776639347 /nfs/dbraw/zinc/63/93/47/776639347.db2.gz WXMWTIBHKGGMGY-UHFFFAOYSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130035028 776639445 /nfs/dbraw/zinc/63/94/45/776639445.db2.gz CEZFXILZYMCQII-SNVBAGLBSA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130072449 776642932 /nfs/dbraw/zinc/64/29/32/776642932.db2.gz MOKYSLWHXQPXQQ-UHFFFAOYSA-N 1 0 277.284 -1.749 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130077176 776642995 /nfs/dbraw/zinc/64/29/95/776642995.db2.gz UUGJNWPDKILJPC-UHFFFAOYSA-N 1 0 279.300 -1.196 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130180164 776643872 /nfs/dbraw/zinc/64/38/72/776643872.db2.gz DYBCLGGMBYAEMY-VXGBXAGGSA-N 1 0 296.371 -1.839 20 30 CAEDRO C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001130187457 776644190 /nfs/dbraw/zinc/64/41/90/776644190.db2.gz VNNZPCKFIXWZDS-GHMZBOCLSA-N 1 0 297.359 -1.949 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130200668 776646551 /nfs/dbraw/zinc/64/65/51/776646551.db2.gz MYKCGGPLJOXHOP-CQSZACIVSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157939293 776649227 /nfs/dbraw/zinc/64/92/27/776649227.db2.gz MSMXZSNJXKMQSC-SNVBAGLBSA-N 1 0 299.375 -1.169 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130323908 776650060 /nfs/dbraw/zinc/65/00/60/776650060.db2.gz OBDWXIXPXDXFKB-VIFPVBQESA-N 1 0 289.357 -2.125 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130324291 776650327 /nfs/dbraw/zinc/65/03/27/776650327.db2.gz WURMNKDMDMTUGR-SECBINFHSA-N 1 0 291.373 -1.573 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O ZINC001130323907 776650534 /nfs/dbraw/zinc/65/05/34/776650534.db2.gz OBDWXIXPXDXFKB-SECBINFHSA-N 1 0 289.357 -2.125 20 30 CAEDRO CN1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC1=O ZINC001130362300 776652123 /nfs/dbraw/zinc/65/21/23/776652123.db2.gz NLWLULMDJUXQPI-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CS(=O)(=O)CCOC ZINC001130333890 776652198 /nfs/dbraw/zinc/65/21/98/776652198.db2.gz QJHVAGWZTVYDFD-UHFFFAOYSA-N 1 0 262.331 -1.613 20 30 CAEDRO Cn1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1=O ZINC001130375543 776653420 /nfs/dbraw/zinc/65/34/20/776653420.db2.gz IGGOMFDLMNSQPI-UHFFFAOYSA-N 1 0 291.311 -1.656 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(C)c(=O)c1 ZINC001130376399 776653522 /nfs/dbraw/zinc/65/35/22/776653522.db2.gz UAMPXWLEFSHDLX-UHFFFAOYSA-N 1 0 290.323 -1.546 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130382182 776654925 /nfs/dbraw/zinc/65/49/25/776654925.db2.gz WKJUZLWMULUIBN-UHFFFAOYSA-N 1 0 290.751 -1.303 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130382191 776655046 /nfs/dbraw/zinc/65/50/46/776655046.db2.gz WRTMGKWSLJVJOT-UHFFFAOYSA-N 1 0 270.333 -1.479 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130385017 776656568 /nfs/dbraw/zinc/65/65/68/776656568.db2.gz WDIVVTSHLJMHIT-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001130443593 776656421 /nfs/dbraw/zinc/65/64/21/776656421.db2.gz XFSKLGJEKNUHPO-SECBINFHSA-N 1 0 263.301 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CO[C@H](C)C1 ZINC001130503127 776657168 /nfs/dbraw/zinc/65/71/68/776657168.db2.gz GEWHMNCBEMYONG-GHMZBOCLSA-N 1 0 267.329 -1.133 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553693 776659030 /nfs/dbraw/zinc/65/90/30/776659030.db2.gz MFUYYWBHNVSSTR-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090486844 776659037 /nfs/dbraw/zinc/65/90/37/776659037.db2.gz PZFTXPJRXABTBY-VXGBXAGGSA-N 1 0 296.371 -1.844 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CC1CS(=O)(=O)C1 ZINC001130578220 776659235 /nfs/dbraw/zinc/65/92/35/776659235.db2.gz XXFIUFDNVSRUKR-UHFFFAOYSA-N 1 0 288.369 -1.223 20 30 CAEDRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157981372 776659341 /nfs/dbraw/zinc/65/93/41/776659341.db2.gz CCDKARAWRSXCFE-QWRGUYRKSA-N 1 0 281.360 -1.200 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090486840 776659494 /nfs/dbraw/zinc/65/94/94/776659494.db2.gz PZFTXPJRXABTBY-NWDGAFQWSA-N 1 0 296.371 -1.844 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553859 776659529 /nfs/dbraw/zinc/65/95/29/776659529.db2.gz PJGFZVJFQBWNJJ-UHFFFAOYSA-N 1 0 296.371 -1.884 20 30 CAEDRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157981253 776659820 /nfs/dbraw/zinc/65/98/20/776659820.db2.gz ADXVMQUCAIZUSJ-RYUDHWBXSA-N 1 0 281.360 -1.056 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130588269 776660770 /nfs/dbraw/zinc/66/07/70/776660770.db2.gz SAZLTESCGHVDNC-UHFFFAOYSA-N 1 0 253.306 -1.136 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1CC ZINC001130611776 776662352 /nfs/dbraw/zinc/66/23/52/776662352.db2.gz IBKVKELFVBGLLO-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CCF)c1 ZINC001130664229 776665319 /nfs/dbraw/zinc/66/53/19/776665319.db2.gz BUVHHSFZZZTIML-UHFFFAOYSA-N 1 0 295.318 -1.079 20 30 CAEDRO C[C@@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC(=O)N1 ZINC001130669632 776665362 /nfs/dbraw/zinc/66/53/62/776665362.db2.gz FLCDMHPTRKGNHJ-ZJUUUORDSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC(=O)N1 ZINC001130669627 776665565 /nfs/dbraw/zinc/66/55/65/776665565.db2.gz FLCDMHPTRKGNHJ-NXEZZACHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001130670731 776666006 /nfs/dbraw/zinc/66/60/06/776666006.db2.gz RAACROJXLZLEEC-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001130670915 776666797 /nfs/dbraw/zinc/66/67/97/776666797.db2.gz VJYPRFSFPHNWMO-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705554 776666937 /nfs/dbraw/zinc/66/69/37/776666937.db2.gz GTAUMAQYVHKQGW-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705464 776667615 /nfs/dbraw/zinc/66/76/15/776667615.db2.gz DYAFLIWEBMCMPV-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702305 776668333 /nfs/dbraw/zinc/66/83/33/776668333.db2.gz KKWYKMAIJQMPOG-JTQLQIEISA-N 1 0 280.328 -2.032 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130699405 776668626 /nfs/dbraw/zinc/66/86/26/776668626.db2.gz JOSVJULRCOQLBS-JTQLQIEISA-N 1 0 282.344 -1.479 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702722 776668787 /nfs/dbraw/zinc/66/87/87/776668787.db2.gz ULNCDSHFLQHDSH-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090492148 776668969 /nfs/dbraw/zinc/66/89/69/776668969.db2.gz CEBVOVAGGXYIDA-IUCAKERBSA-N 1 0 266.305 -1.439 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130699031 776669058 /nfs/dbraw/zinc/66/90/58/776669058.db2.gz ABKPDZSQWNBFSH-VIFPVBQESA-N 1 0 281.316 -2.142 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1n[nH]c2c1CCC2 ZINC001130738717 776670391 /nfs/dbraw/zinc/67/03/91/776670391.db2.gz OBOQDNRJUMBDQA-UHFFFAOYSA-N 1 0 290.327 -1.142 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130742808 776670478 /nfs/dbraw/zinc/67/04/78/776670478.db2.gz JAAOBXWQMMPKNW-UHFFFAOYSA-N 1 0 251.250 -2.236 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130742934 776671225 /nfs/dbraw/zinc/67/12/25/776671225.db2.gz MECIYWLFMILMFY-UHFFFAOYSA-N 1 0 293.331 -1.114 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cn[nH]n2)C1=O ZINC001130749202 776672067 /nfs/dbraw/zinc/67/20/67/776672067.db2.gz YHAVLYWPWCXUOH-VIFPVBQESA-N 1 0 278.316 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)n(C)c1 ZINC001130764145 776674508 /nfs/dbraw/zinc/67/45/08/776674508.db2.gz PNGAXHUCWCOZOU-UHFFFAOYSA-N 1 0 290.323 -1.546 20 30 CAEDRO CCc1c(C(=O)NCC[NH2+]CC(=O)NCC#N)cnn1C ZINC001130771235 776674579 /nfs/dbraw/zinc/67/45/79/776674579.db2.gz KNWYRLVKEXMSIE-UHFFFAOYSA-N 1 0 292.343 -1.058 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001170520574 776677249 /nfs/dbraw/zinc/67/72/49/776677249.db2.gz NXIXMZDBDNGOGZ-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090496539 776677650 /nfs/dbraw/zinc/67/76/50/776677650.db2.gz QPLBTAQDOHABLP-VHSXEESVSA-N 1 0 280.332 -1.049 20 30 CAEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090496530 776677902 /nfs/dbraw/zinc/67/79/02/776677902.db2.gz QPLBTAQDOHABLP-NXEZZACHSA-N 1 0 280.332 -1.049 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncn1C ZINC001130901268 776678479 /nfs/dbraw/zinc/67/84/79/776678479.db2.gz TZSLCINOZCVVHY-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130938971 776678570 /nfs/dbraw/zinc/67/85/70/776678570.db2.gz ZTEANEKZEUHSJB-UHFFFAOYSA-N 1 0 294.311 -1.696 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130940913 776679073 /nfs/dbraw/zinc/67/90/73/776679073.db2.gz FYZDWDAJORJSRR-UHFFFAOYSA-N 1 0 264.285 -1.322 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCCNC(N)=O ZINC001130958446 776679910 /nfs/dbraw/zinc/67/99/10/776679910.db2.gz DANBAUMUMWJXFK-UHFFFAOYSA-N 1 0 297.359 -1.720 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCCCNC(N)=O ZINC001130967825 776680100 /nfs/dbraw/zinc/68/01/00/776680100.db2.gz MPYRWXZGKDLXJW-UHFFFAOYSA-N 1 0 298.347 -1.829 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCN1C(=O)CCC1=O ZINC001130995059 776680888 /nfs/dbraw/zinc/68/08/88/776680888.db2.gz VQNDWJPRLUPXNR-UHFFFAOYSA-N 1 0 295.339 -1.119 20 30 CAEDRO N#C[C@H](Nc1nccc(N2CC[NH2+]CC2)n1)C(N)=O ZINC001170531330 776681892 /nfs/dbraw/zinc/68/18/92/776681892.db2.gz NGFDZKKDLLCQJH-QMMMGPOBSA-N 1 0 261.289 -1.324 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)COCCCOC ZINC001170530434 776682197 /nfs/dbraw/zinc/68/21/97/776682197.db2.gz VZCLWGASGAUJIV-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO N#C[C@@H](Nc1nccc(N2CC[NH2+]CC2)n1)C(N)=O ZINC001170531329 776682444 /nfs/dbraw/zinc/68/24/44/776682444.db2.gz NGFDZKKDLLCQJH-MRVPVSSYSA-N 1 0 261.289 -1.324 20 30 CAEDRO N#C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(N)=O ZINC001170538364 776684947 /nfs/dbraw/zinc/68/49/47/776684947.db2.gz HVNTWFQOJHBIIU-LURJTMIESA-N 1 0 277.244 -1.139 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131104235 776685070 /nfs/dbraw/zinc/68/50/70/776685070.db2.gz TVDYYWWTNJCFLI-JTQLQIEISA-N 1 0 295.343 -1.609 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131125103 776685270 /nfs/dbraw/zinc/68/52/70/776685270.db2.gz UAVLQAAJWRXDCE-UHFFFAOYSA-N 1 0 293.327 -1.503 20 30 CAEDRO COc1c(N[C@H](C#N)C(N)=O)ncnc1C1C[NH2+]C1 ZINC001170540194 776685445 /nfs/dbraw/zinc/68/54/45/776685445.db2.gz ZNBACQGXQOEHKV-SSDOTTSWSA-N 1 0 262.273 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(C)nn1C ZINC001131281515 776687844 /nfs/dbraw/zinc/68/78/44/776687844.db2.gz FHSVOICPJMVPLI-UHFFFAOYSA-N 1 0 291.355 -1.274 20 30 CAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090498934 776688192 /nfs/dbraw/zinc/68/81/92/776688192.db2.gz FKVAJBASYQSBPY-VHSXEESVSA-N 1 0 280.332 -1.049 20 30 CAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090498930 776688278 /nfs/dbraw/zinc/68/82/78/776688278.db2.gz FKVAJBASYQSBPY-NXEZZACHSA-N 1 0 280.332 -1.049 20 30 CAEDRO Cc1cc(CC(=O)NCC[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001131281631 776688370 /nfs/dbraw/zinc/68/83/70/776688370.db2.gz KRZKUMYNNNXWSY-UHFFFAOYSA-N 1 0 292.343 -1.383 20 30 CAEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090498936 776688522 /nfs/dbraw/zinc/68/85/22/776688522.db2.gz FKVAJBASYQSBPY-ZJUUUORDSA-N 1 0 280.332 -1.049 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1cncnc1 ZINC001131348615 776689466 /nfs/dbraw/zinc/68/94/66/776689466.db2.gz GCMSSXIXTSVDPK-UHFFFAOYSA-N 1 0 290.327 -1.245 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cncnc1 ZINC001131348740 776689749 /nfs/dbraw/zinc/68/97/49/776689749.db2.gz LHPBGMRNGANHLD-UHFFFAOYSA-N 1 0 289.339 -1.136 20 30 CAEDRO Cc1cncn1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001131376927 776689904 /nfs/dbraw/zinc/68/99/04/776689904.db2.gz CSDXPJBKKXJCHR-UHFFFAOYSA-N 1 0 278.316 -1.463 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131517280 776692174 /nfs/dbraw/zinc/69/21/74/776692174.db2.gz QQQQHDVQJNOXKK-OQEOFVATSA-N 1 0 292.339 -1.245 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131545607 776693026 /nfs/dbraw/zinc/69/30/26/776693026.db2.gz VBCVUQUVVLEKEI-UHFFFAOYSA-N 1 0 293.327 -1.598 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131537030 776693266 /nfs/dbraw/zinc/69/32/66/776693266.db2.gz UEFMXOFUKYBVOM-UHFFFAOYSA-N 1 0 291.311 -2.151 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H](C)CO1 ZINC001131526794 776693444 /nfs/dbraw/zinc/69/34/44/776693444.db2.gz FGBSWIIOKIXPHW-WDEREUQCSA-N 1 0 267.329 -1.133 20 30 CAEDRO C[C@H]1CO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001131536797 776693528 /nfs/dbraw/zinc/69/35/28/776693528.db2.gz QLRIYUUGBQKIBS-NXEZZACHSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001131526792 776693792 /nfs/dbraw/zinc/69/37/92/776693792.db2.gz FGBSWIIOKIXPHW-MNOVXSKESA-N 1 0 267.329 -1.133 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131624701 776695916 /nfs/dbraw/zinc/69/59/16/776695916.db2.gz MSHYFGZUVFRATE-UHFFFAOYSA-N 1 0 294.359 -1.152 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131639585 776696831 /nfs/dbraw/zinc/69/68/31/776696831.db2.gz JHJBLVGRFSEREE-VIFPVBQESA-N 1 0 289.357 -1.819 20 30 CAEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131629672 776697027 /nfs/dbraw/zinc/69/70/27/776697027.db2.gz VYQOSHBQXBIHEO-SMDDNHRTSA-N 1 0 294.355 -1.020 20 30 CAEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131629671 776697252 /nfs/dbraw/zinc/69/72/52/776697252.db2.gz VYQOSHBQXBIHEO-RISCZKNCSA-N 1 0 294.355 -1.020 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001131640097 776697278 /nfs/dbraw/zinc/69/72/78/776697278.db2.gz XOFREWFHXJJCCR-VIFPVBQESA-N 1 0 287.341 -2.371 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1nccn1C ZINC001131639806 776697284 /nfs/dbraw/zinc/69/72/84/776697284.db2.gz OQJXLEFDRMZKFN-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO Cn1ccnc1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001131639856 776697485 /nfs/dbraw/zinc/69/74/85/776697485.db2.gz QPFCSTVJGFEEBQ-UHFFFAOYSA-N 1 0 292.343 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131684286 776698596 /nfs/dbraw/zinc/69/85/96/776698596.db2.gz DNCMWSPCUMSKSV-ZDUSSCGKSA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131681064 776698845 /nfs/dbraw/zinc/69/88/45/776698845.db2.gz UVRHXNQYXFBBRG-QMTHXVAHSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131768904 776701832 /nfs/dbraw/zinc/70/18/32/776701832.db2.gz IBPKXCBZRRBECZ-UHFFFAOYSA-N 1 0 265.317 -1.299 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H](CCC)S(N)(=O)=O ZINC001131774896 776702318 /nfs/dbraw/zinc/70/23/18/776702318.db2.gz XJWVJFWMZNJFJK-VIFPVBQESA-N 1 0 261.347 -1.217 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840290 776703429 /nfs/dbraw/zinc/70/34/29/776703429.db2.gz GRCKEDIIQRFGLF-LLVKDONJSA-N 1 0 294.355 -1.642 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840166 776704263 /nfs/dbraw/zinc/70/42/63/776704263.db2.gz BEVVVVSQHGBFRA-JTQLQIEISA-N 1 0 295.343 -1.752 20 30 CAEDRO CNS(=O)(=O)NCC(=O)NCC[NH2+]CC#CCOC ZINC001131831966 776705815 /nfs/dbraw/zinc/70/58/15/776705815.db2.gz VADKLBKDTBGWKS-UHFFFAOYSA-N 1 0 292.361 -2.604 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131828329 776705914 /nfs/dbraw/zinc/70/59/14/776705914.db2.gz LIPZREKVUBLOMC-UHFFFAOYSA-N 1 0 250.324 -2.068 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001131905581 776708490 /nfs/dbraw/zinc/70/84/90/776708490.db2.gz VKNMYCGVCVUNEF-NWDGAFQWSA-N 1 0 267.329 -1.039 20 30 CAEDRO CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCOC1 ZINC001131881862 776708752 /nfs/dbraw/zinc/70/87/52/776708752.db2.gz VAZVJMJHYFEGFS-JQWIXIFHSA-N 1 0 298.343 -1.617 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(COC)CCOC1 ZINC001131902162 776708853 /nfs/dbraw/zinc/70/88/53/776708853.db2.gz LJTVYPMFQXAXEK-CQSZACIVSA-N 1 0 297.355 -1.505 20 30 CAEDRO COc1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)co1 ZINC001131920880 776709580 /nfs/dbraw/zinc/70/95/80/776709580.db2.gz MVZKRPPWFOTLLH-UHFFFAOYSA-N 1 0 281.272 -1.358 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1csnn1 ZINC001131971931 776710881 /nfs/dbraw/zinc/71/08/81/776710881.db2.gz DHKNZDPAFQDQGM-UHFFFAOYSA-N 1 0 268.302 -1.503 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1csnn1 ZINC001131982917 776711320 /nfs/dbraw/zinc/71/13/20/776711320.db2.gz LBNMZQLYYJANFK-QMMMGPOBSA-N 1 0 281.341 -1.005 20 30 CAEDRO Cc1noc(CCC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001132121525 776713138 /nfs/dbraw/zinc/71/31/38/776713138.db2.gz ZTHVMZQSCKWXMN-UHFFFAOYSA-N 1 0 294.315 -1.344 20 30 CAEDRO Cc1n[nH]cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132138526 776714709 /nfs/dbraw/zinc/71/47/09/776714709.db2.gz FLFMKLXGINXAJT-UHFFFAOYSA-N 1 0 264.289 -1.323 20 30 CAEDRO Cc1nn[nH]c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132229438 776717848 /nfs/dbraw/zinc/71/78/48/776717848.db2.gz MSYJTIRYFUOKNM-UHFFFAOYSA-N 1 0 265.277 -1.928 20 30 CAEDRO CN1C(=O)CC[C@@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132257236 776718892 /nfs/dbraw/zinc/71/88/92/776718892.db2.gz JPZOTKPCZCELOR-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO CN1C(=O)CC[C@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132257185 776719921 /nfs/dbraw/zinc/71/99/21/776719921.db2.gz JPZOTKPCZCELOR-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132316488 776720727 /nfs/dbraw/zinc/72/07/27/776720727.db2.gz GMBSHOZPFYWESB-UHFFFAOYSA-N 1 0 297.359 -2.574 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132331094 776720843 /nfs/dbraw/zinc/72/08/43/776720843.db2.gz KJJORTSIMTWUCN-NXEZZACHSA-N 1 0 282.344 -1.658 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132318408 776721491 /nfs/dbraw/zinc/72/14/91/776721491.db2.gz YTAMVNJGBZXABV-UHFFFAOYSA-N 1 0 282.344 -2.226 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132318257 776721759 /nfs/dbraw/zinc/72/17/59/776721759.db2.gz UEDRHFRMZAOLOS-UHFFFAOYSA-N 1 0 252.318 -1.853 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132320526 776723133 /nfs/dbraw/zinc/72/31/33/776723133.db2.gz IFCSMBNTOYRDMP-UHFFFAOYSA-N 1 0 284.360 -1.673 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337252 776723217 /nfs/dbraw/zinc/72/32/17/776723217.db2.gz IGUHACWFBNQEFX-VHSXEESVSA-N 1 0 282.344 -1.494 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132338639 776724412 /nfs/dbraw/zinc/72/44/12/776724412.db2.gz VVGLLQBWDHHUKZ-UWVGGRQHSA-N 1 0 280.328 -2.047 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132343966 776725822 /nfs/dbraw/zinc/72/58/22/776725822.db2.gz BJWQYSJECCROEY-SECBINFHSA-N 1 0 268.317 -2.047 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)CC(N)=O)C1=O ZINC001132345326 776726284 /nfs/dbraw/zinc/72/62/84/776726284.db2.gz OXHVJAXXENYNTN-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132349653 776726760 /nfs/dbraw/zinc/72/67/60/776726760.db2.gz KRLMPIUIBDJXBJ-VIFPVBQESA-N 1 0 270.333 -1.494 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132355584 776727721 /nfs/dbraw/zinc/72/77/21/776727721.db2.gz DKIICKSVAKGFIO-SECBINFHSA-N 1 0 268.317 -1.870 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132358200 776728955 /nfs/dbraw/zinc/72/89/55/776728955.db2.gz AMMAIKCBKFBCQE-SNVBAGLBSA-N 1 0 253.302 -1.522 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132358800 776729207 /nfs/dbraw/zinc/72/92/07/776729207.db2.gz HUKOUFBRYMUDRP-WDEREUQCSA-N 1 0 294.355 -1.385 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132358637 776729863 /nfs/dbraw/zinc/72/98/63/776729863.db2.gz GQTBGIAPKOWVTL-SECBINFHSA-N 1 0 266.301 -2.422 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387633 776732742 /nfs/dbraw/zinc/73/27/42/776732742.db2.gz WXOWVFUOGZERSH-SNVBAGLBSA-N 1 0 270.333 -1.082 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387162 776732805 /nfs/dbraw/zinc/73/28/05/776732805.db2.gz PMUYNMNAIVQABC-JTQLQIEISA-N 1 0 268.317 -1.634 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376930 776734230 /nfs/dbraw/zinc/73/42/30/776734230.db2.gz SFZKPUWVPYRMDJ-VHSXEESVSA-N 1 0 280.328 -2.034 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376621 776734289 /nfs/dbraw/zinc/73/42/89/776734289.db2.gz PVUPLJLKWLLIOT-VHSXEESVSA-N 1 0 282.344 -1.481 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376623 776734446 /nfs/dbraw/zinc/73/44/46/776734446.db2.gz PVUPLJLKWLLIOT-ZJUUUORDSA-N 1 0 282.344 -1.481 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132382763 776736090 /nfs/dbraw/zinc/73/60/90/776736090.db2.gz QRHIILUHEBZRMJ-SECBINFHSA-N 1 0 293.327 -1.417 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382392 776737091 /nfs/dbraw/zinc/73/70/91/776737091.db2.gz JNDCSISILBCIBZ-SECBINFHSA-N 1 0 283.332 -1.982 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402342 776737687 /nfs/dbraw/zinc/73/76/87/776737687.db2.gz PKYIFVYCXREIDU-UWVGGRQHSA-N 1 0 295.343 -2.146 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402341 776737785 /nfs/dbraw/zinc/73/77/85/776737785.db2.gz PKYIFVYCXREIDU-NXEZZACHSA-N 1 0 295.343 -2.146 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402054 776737824 /nfs/dbraw/zinc/73/78/24/776737824.db2.gz KKCLPLXPXSLVQX-NXEZZACHSA-N 1 0 297.359 -1.594 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519868 776740650 /nfs/dbraw/zinc/74/06/50/776740650.db2.gz PILCPNRBIXXYPX-MNOVXSKESA-N 1 0 294.355 -1.549 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132523440 776740677 /nfs/dbraw/zinc/74/06/77/776740677.db2.gz JJUSFDAHLYRYJE-UHFFFAOYSA-N 1 0 267.293 -2.168 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132523664 776741229 /nfs/dbraw/zinc/74/12/29/776741229.db2.gz SSUAENMJMSEKLS-UHFFFAOYSA-N 1 0 252.278 -1.821 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132529085 776743133 /nfs/dbraw/zinc/74/31/33/776743133.db2.gz ZAZTUQKYQNWDIL-QMMMGPOBSA-N 1 0 281.320 -1.780 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2nnn(C)n2)C1=O ZINC001132527245 776743375 /nfs/dbraw/zinc/74/33/75/776743375.db2.gz RXVDESLXLPUGDS-SECBINFHSA-N 1 0 293.331 -1.684 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132529020 776743564 /nfs/dbraw/zinc/74/35/64/776743564.db2.gz WWBSNGZPKXEGNK-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605618 776744433 /nfs/dbraw/zinc/74/44/33/776744433.db2.gz ZCXHLWAZRMWXHN-IAZYJMLFSA-N 1 0 265.313 -1.666 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605266 776744550 /nfs/dbraw/zinc/74/45/50/776744550.db2.gz IDUHBIGRONPPNB-IAZYJMLFSA-N 1 0 267.329 -1.113 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605516 776744901 /nfs/dbraw/zinc/74/49/01/776744901.db2.gz TXOVJCZOOVKKKJ-JZYVYDRUSA-N 1 0 266.301 -1.776 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132623876 776745649 /nfs/dbraw/zinc/74/56/49/776745649.db2.gz IMVPLLYHAIARQW-MNOVXSKESA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132623350 776746074 /nfs/dbraw/zinc/74/60/74/776746074.db2.gz CIYWNPKHKMBEIE-QWRGUYRKSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608865 776746090 /nfs/dbraw/zinc/74/60/90/776746090.db2.gz KZOKMWAIDXOCHU-JTQLQIEISA-N 1 0 282.344 -1.527 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132616125 776746555 /nfs/dbraw/zinc/74/65/55/776746555.db2.gz JKEQLHWBYRAGDS-NNYUYHANSA-N 1 0 279.340 -1.278 20 30 CAEDRO CN1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1=O ZINC001132609154 776747323 /nfs/dbraw/zinc/74/73/23/776747323.db2.gz RJHHJWNXFIAAIW-VIFPVBQESA-N 1 0 281.316 -2.190 20 30 CAEDRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCC(=O)NC1 ZINC001132715008 776747411 /nfs/dbraw/zinc/74/74/11/776747411.db2.gz DDWTUZVTMYOZPK-ZDUSSCGKSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767691 776751233 /nfs/dbraw/zinc/75/12/33/776751233.db2.gz PILCPNRBIXXYPX-GHMZBOCLSA-N 1 0 294.355 -1.549 20 30 CAEDRO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132762474 776751504 /nfs/dbraw/zinc/75/15/04/776751504.db2.gz LQIDNTBMYVZIHZ-SECBINFHSA-N 1 0 281.316 -2.047 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1cncnc1 ZINC001132816341 776752948 /nfs/dbraw/zinc/75/29/48/776752948.db2.gz JSSOYHOJBOIRMC-SNVBAGLBSA-N 1 0 290.327 -1.074 20 30 CAEDRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1C ZINC001132893609 776754889 /nfs/dbraw/zinc/75/48/89/776754889.db2.gz VGGKGHJSRNQFEA-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016309 776756615 /nfs/dbraw/zinc/75/66/15/776756615.db2.gz SZXICVPXAPGKCH-SECBINFHSA-N 1 0 293.327 -1.220 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013515 776757868 /nfs/dbraw/zinc/75/78/68/776757868.db2.gz MLBGDYUAHHJEBG-UHFFFAOYSA-N 1 0 278.272 -2.271 20 30 CAEDRO C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133083407 776759021 /nfs/dbraw/zinc/75/90/21/776759021.db2.gz JNYPKCPUHQFFIB-NXEZZACHSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133078274 776759113 /nfs/dbraw/zinc/75/91/13/776759113.db2.gz SQBFLZRDBWPDIQ-MNOVXSKESA-N 1 0 294.355 -1.705 20 30 CAEDRO C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133083408 776759151 /nfs/dbraw/zinc/75/91/51/776759151.db2.gz JNYPKCPUHQFFIB-UWVGGRQHSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133078275 776759418 /nfs/dbraw/zinc/75/94/18/776759418.db2.gz SQBFLZRDBWPDIQ-QWRGUYRKSA-N 1 0 294.355 -1.705 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133078276 776759445 /nfs/dbraw/zinc/75/94/45/776759445.db2.gz SQBFLZRDBWPDIQ-WDEREUQCSA-N 1 0 294.355 -1.705 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133115875 776762099 /nfs/dbraw/zinc/76/20/99/776762099.db2.gz SMXLJUNZKCXYLK-UWVGGRQHSA-N 1 0 295.343 -1.840 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121027 776763104 /nfs/dbraw/zinc/76/31/04/776763104.db2.gz GBVAOUSBQPBIQR-DTWKUNHWSA-N 1 0 281.316 -2.489 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122125 776764227 /nfs/dbraw/zinc/76/42/27/776764227.db2.gz RQORWYYNTPLVCV-BDAKNGLRSA-N 1 0 283.332 -1.936 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133152408 776765731 /nfs/dbraw/zinc/76/57/31/776765731.db2.gz ZXYHDNDAHGXOOK-UHFFFAOYSA-N 1 0 261.347 -1.216 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133184761 776766852 /nfs/dbraw/zinc/76/68/52/776766852.db2.gz FVRSXFJAWSLLTQ-UHFFFAOYSA-N 1 0 268.317 -1.740 20 30 CAEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)C(N)=O ZINC001133200641 776766880 /nfs/dbraw/zinc/76/68/80/776766880.db2.gz OBCVMWIRWBRIOT-JTQLQIEISA-N 1 0 284.360 -1.009 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133187772 776767433 /nfs/dbraw/zinc/76/74/33/776767433.db2.gz IGTZHDQBTIWOML-JTQLQIEISA-N 1 0 294.355 -1.255 20 30 CAEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)C(N)=O ZINC001133200643 776767482 /nfs/dbraw/zinc/76/74/82/776767482.db2.gz OBCVMWIRWBRIOT-SNVBAGLBSA-N 1 0 284.360 -1.009 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189199 776768534 /nfs/dbraw/zinc/76/85/34/776768534.db2.gz QERQHPGZCMBEHD-SECBINFHSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189200 776768686 /nfs/dbraw/zinc/76/86/86/776768686.db2.gz QERQHPGZCMBEHD-VIFPVBQESA-N 1 0 280.328 -1.904 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188848 776769064 /nfs/dbraw/zinc/76/90/64/776769064.db2.gz BNAIBXNETDELPO-SECBINFHSA-N 1 0 282.344 -1.352 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133197878 776771391 /nfs/dbraw/zinc/77/13/91/776771391.db2.gz AGEIAQAIORQPIA-UHFFFAOYSA-N 1 0 268.317 -1.622 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133206408 776772819 /nfs/dbraw/zinc/77/28/19/776772819.db2.gz PPINIHPRAFTADU-UHFFFAOYSA-N 1 0 269.305 -2.060 20 30 CAEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C(N)=O ZINC001133206076 776772930 /nfs/dbraw/zinc/77/29/30/776772930.db2.gz FQTCTTGEBSINQK-UHFFFAOYSA-N 1 0 270.333 -1.398 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133468197 776777924 /nfs/dbraw/zinc/77/79/24/776777924.db2.gz WIFUJHYHYMIGMP-ZDUSSCGKSA-N 1 0 282.344 -1.337 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351048 776778293 /nfs/dbraw/zinc/77/82/93/776778293.db2.gz PTVSPVIWFLLMIA-VIFPVBQESA-N 1 0 293.327 -1.417 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133512692 776778994 /nfs/dbraw/zinc/77/89/94/776778994.db2.gz GPFQJDBOGMPIOS-SNVBAGLBSA-N 1 0 273.333 -1.344 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479001 776779372 /nfs/dbraw/zinc/77/93/72/776779372.db2.gz ONSPEFNPRCQLBF-HZMBPMFUSA-N 1 0 294.355 -1.501 20 30 CAEDRO COC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133512490 776779729 /nfs/dbraw/zinc/77/97/29/776779729.db2.gz CZDFQTACQCXLJK-SECBINFHSA-N 1 0 272.305 -2.007 20 30 CAEDRO CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133516483 776781131 /nfs/dbraw/zinc/78/11/31/776781131.db2.gz ZWLKKIHITYIOAH-VHSXEESVSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133618547 776781991 /nfs/dbraw/zinc/78/19/91/776781991.db2.gz LOPKDOKWXNIXMP-UHFFFAOYSA-N 1 0 285.329 -1.600 20 30 CAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CNC(N)=O ZINC001133662799 776783103 /nfs/dbraw/zinc/78/31/03/776783103.db2.gz UWEBZJOQSSYNJY-IUCAKERBSA-N 1 0 298.347 -1.833 20 30 CAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CNC(N)=O ZINC001133662798 776783163 /nfs/dbraw/zinc/78/31/63/776783163.db2.gz UWEBZJOQSSYNJY-DTWKUNHWSA-N 1 0 298.347 -1.833 20 30 CAEDRO C[C@H](C[C@H](C)NC(=O)CNC(N)=O)[NH2+]CC(=O)NCC#N ZINC001133662794 776783215 /nfs/dbraw/zinc/78/32/15/776783215.db2.gz UWEBZJOQSSYNJY-BDAKNGLRSA-N 1 0 298.347 -1.833 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681859 776785438 /nfs/dbraw/zinc/78/54/38/776785438.db2.gz ZKPJJIAPCRSBDM-JTQLQIEISA-N 1 0 295.343 -1.609 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770890 776786112 /nfs/dbraw/zinc/78/61/12/776786112.db2.gz INCAUQAPVHHHSZ-DTWKUNHWSA-N 1 0 297.315 -2.635 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754557 776786476 /nfs/dbraw/zinc/78/64/76/776786476.db2.gz VCSOMQVZYRRPRM-YGRLFVJLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754554 776786655 /nfs/dbraw/zinc/78/66/55/776786655.db2.gz VCSOMQVZYRRPRM-IINYFYTJSA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133762739 776786826 /nfs/dbraw/zinc/78/68/26/776786826.db2.gz GQTXUCLGACULLA-ZDUSSCGKSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773179 776786993 /nfs/dbraw/zinc/78/69/93/776786993.db2.gz BHKZVDMMFMCAKF-VHSXEESVSA-N 1 0 296.327 -2.526 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774103 776788242 /nfs/dbraw/zinc/78/82/42/776788242.db2.gz PRRUJBNUWBMJAN-WDEREUQCSA-N 1 0 285.344 -1.072 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914616 776794588 /nfs/dbraw/zinc/79/45/88/776794588.db2.gz NNLPTQHFDMWGNE-BBBLOLIVSA-N 1 0 282.344 -1.496 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914118 776794700 /nfs/dbraw/zinc/79/47/00/776794700.db2.gz BECNVNAWUYRPJD-UHFFFAOYSA-N 1 0 294.359 -1.244 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950795 776795556 /nfs/dbraw/zinc/79/55/56/776795556.db2.gz JSMNTQJCEHUMCY-UHFFFAOYSA-N 1 0 292.299 -1.927 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133931885 776796526 /nfs/dbraw/zinc/79/65/26/776796526.db2.gz MCKNWVIHLMQOSG-ZJUUUORDSA-N 1 0 295.343 -1.766 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943941 776797473 /nfs/dbraw/zinc/79/74/73/776797473.db2.gz WEHSKNAFDXTRHR-BDAKNGLRSA-N 1 0 268.317 -1.884 20 30 CAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC(N)=O ZINC001134021572 776799888 /nfs/dbraw/zinc/79/98/88/776799888.db2.gz CLLYDQLNCQYTTN-IUCAKERBSA-N 1 0 283.332 -1.626 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CCCS1(=O)=O ZINC001159368229 776834605 /nfs/dbraw/zinc/83/46/05/776834605.db2.gz CEZZSYCKKARMBL-UHFFFAOYSA-N 1 0 273.358 -1.249 20 30 CAEDRO C[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134033248 776801108 /nfs/dbraw/zinc/80/11/08/776801108.db2.gz MQXZDFHKRYXEJT-KOLCDFICSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134022885 776801180 /nfs/dbraw/zinc/80/11/80/776801180.db2.gz WMVGOUBWUVXLOK-ZJUUUORDSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170726708 776803804 /nfs/dbraw/zinc/80/38/04/776803804.db2.gz PWDSUAIHYHUSOP-JTQLQIEISA-N 1 0 292.343 -1.419 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001134053287 776804242 /nfs/dbraw/zinc/80/42/42/776804242.db2.gz QUHVDUMYAMTCGT-BDAKNGLRSA-N 1 0 284.316 -1.522 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134058122 776804419 /nfs/dbraw/zinc/80/44/19/776804419.db2.gz AUUXIIVIQCSWAU-MNOVXSKESA-N 1 0 280.328 -1.077 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134102756 776804691 /nfs/dbraw/zinc/80/46/91/776804691.db2.gz ZMRAXNQFDISDLJ-MXWKQRLJSA-N 1 0 280.328 -1.101 20 30 CAEDRO C[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001134084133 776805009 /nfs/dbraw/zinc/80/50/09/776805009.db2.gz SFYMQTWZTFNRES-NXEZZACHSA-N 1 0 268.317 -1.101 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170726714 776805077 /nfs/dbraw/zinc/80/50/77/776805077.db2.gz PWDSUAIHYHUSOP-SNVBAGLBSA-N 1 0 292.343 -1.419 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134109812 776805365 /nfs/dbraw/zinc/80/53/65/776805365.db2.gz GUMCNWWFYBJQEV-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134111496 776805817 /nfs/dbraw/zinc/80/58/17/776805817.db2.gz WJARWPUJGNCFHQ-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001134131330 776806811 /nfs/dbraw/zinc/80/68/11/776806811.db2.gz VABUZCBQMUJZHX-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134167143 776808131 /nfs/dbraw/zinc/80/81/31/776808131.db2.gz DHQQXMHDXPCDJU-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134169045 776808218 /nfs/dbraw/zinc/80/82/18/776808218.db2.gz YRXDFYUGCWASLF-JTQLQIEISA-N 1 0 283.332 -1.753 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134168249 776809026 /nfs/dbraw/zinc/80/90/26/776809026.db2.gz MLGNIBKMWRARPX-NSHDSACASA-N 1 0 284.360 -1.091 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134284393 776809468 /nfs/dbraw/zinc/80/94/68/776809468.db2.gz XNHQUVRPIDIXRN-UHFFFAOYSA-N 1 0 262.273 -1.564 20 30 CAEDRO CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134209788 776809827 /nfs/dbraw/zinc/80/98/27/776809827.db2.gz PCVMNZUKFSWUAG-UWVGGRQHSA-N 1 0 297.359 -1.365 20 30 CAEDRO CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134209787 776809998 /nfs/dbraw/zinc/80/99/98/776809998.db2.gz PCVMNZUKFSWUAG-NXEZZACHSA-N 1 0 297.359 -1.365 20 30 CAEDRO CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134209790 776810502 /nfs/dbraw/zinc/81/05/02/776810502.db2.gz PCVMNZUKFSWUAG-ZJUUUORDSA-N 1 0 297.359 -1.365 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353816 776811343 /nfs/dbraw/zinc/81/13/43/776811343.db2.gz XDJNOZVMOKCQRQ-SNVBAGLBSA-N 1 0 291.373 -1.720 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455310 776816382 /nfs/dbraw/zinc/81/63/82/776816382.db2.gz DZABMVPEDULHLY-QMMMGPOBSA-N 1 0 252.274 -1.686 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487062 776817341 /nfs/dbraw/zinc/81/73/41/776817341.db2.gz HXRCAORJQMTLAD-UHFFFAOYSA-N 1 0 298.796 -1.159 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487018 776817726 /nfs/dbraw/zinc/81/77/26/776817726.db2.gz FXXVOXBFKUUCAH-UHFFFAOYSA-N 1 0 276.362 -1.889 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134486821 776818831 /nfs/dbraw/zinc/81/88/31/776818831.db2.gz AXKYSLBIJGVDEG-UHFFFAOYSA-N 1 0 262.335 -2.279 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134490881 776819381 /nfs/dbraw/zinc/81/93/81/776819381.db2.gz FUIKHWRWDPUFKF-UHFFFAOYSA-N 1 0 276.362 -1.889 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134640340 776822148 /nfs/dbraw/zinc/82/21/48/776822148.db2.gz GCZZTFJVSLLOJH-GFCCVEGCSA-N 1 0 297.355 -1.505 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O ZINC001134673418 776822889 /nfs/dbraw/zinc/82/28/89/776822889.db2.gz NSSOICWHMCDOLH-UHFFFAOYSA-N 1 0 288.311 -1.380 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224085 776824055 /nfs/dbraw/zinc/82/40/55/776824055.db2.gz MSCCZWDKYLISML-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134660388 776824979 /nfs/dbraw/zinc/82/49/79/776824979.db2.gz ZOFQACHRUQBSKH-LLVKDONJSA-N 1 0 285.344 -1.507 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665438 776825381 /nfs/dbraw/zinc/82/53/81/776825381.db2.gz MJAOOZMGVKNNMB-UHFFFAOYSA-N 1 0 280.328 -1.021 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134696652 776825555 /nfs/dbraw/zinc/82/55/55/776825555.db2.gz GRPYLRYFDMBJED-UHFFFAOYSA-N 1 0 280.284 -1.864 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001159249584 776827063 /nfs/dbraw/zinc/82/70/63/776827063.db2.gz MJHUZEGRTFNNOO-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001159249586 776827649 /nfs/dbraw/zinc/82/76/49/776827649.db2.gz MJHUZEGRTFNNOO-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]n1 ZINC001134842468 776828422 /nfs/dbraw/zinc/82/84/22/776828422.db2.gz BSUAUGIQZBOQSV-RKDXNWHRSA-N 1 0 293.331 -1.069 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncc(OC)n1 ZINC001134832915 776828724 /nfs/dbraw/zinc/82/87/24/776828724.db2.gz MQKDNLQWHPUIMC-UHFFFAOYSA-N 1 0 291.311 -1.446 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836719 776829250 /nfs/dbraw/zinc/82/92/50/776829250.db2.gz MLJQPMKIDGOYSW-JTQLQIEISA-N 1 0 270.333 -1.352 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829943 776829611 /nfs/dbraw/zinc/82/96/11/776829611.db2.gz SUVMOEJSJMFREA-VIFPVBQESA-N 1 0 290.751 -1.175 20 30 CAEDRO O=C[C@H]([NH2+][C@@H]1CCCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001170775589 776830153 /nfs/dbraw/zinc/83/01/53/776830153.db2.gz LUCBXUDGMJHQBG-IYKVGLELSA-N 1 0 277.317 -2.212 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CC(=O)N(C)C)C1=O ZINC001134933093 776830817 /nfs/dbraw/zinc/83/08/17/776830817.db2.gz NZDWNCPAQQVVEZ-NSHDSACASA-N 1 0 296.371 -1.043 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H]2CCNC2=O)nn1 ZINC001134969834 776833770 /nfs/dbraw/zinc/83/37/70/776833770.db2.gz LJVDNYLOCYNVRM-VIFPVBQESA-N 1 0 278.316 -1.328 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)nn1 ZINC001134969833 776833821 /nfs/dbraw/zinc/83/38/21/776833821.db2.gz LJVDNYLOCYNVRM-SECBINFHSA-N 1 0 278.316 -1.328 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170784226 776833950 /nfs/dbraw/zinc/83/39/50/776833950.db2.gz HAUQCBCYGSITBA-SNVBAGLBSA-N 1 0 295.347 -1.540 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082177 776836192 /nfs/dbraw/zinc/83/61/92/776836192.db2.gz YQMXNWGKEICHMY-ZJUUUORDSA-N 1 0 290.389 -1.454 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135159264 776837879 /nfs/dbraw/zinc/83/78/79/776837879.db2.gz QVJZONUNHJTWNY-UHFFFAOYSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135158147 776837959 /nfs/dbraw/zinc/83/79/59/776837959.db2.gz BVDQNXUYHGYWGB-UHFFFAOYSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176728 776838366 /nfs/dbraw/zinc/83/83/66/776838366.db2.gz UCXXUYZBIDYVRO-RYUDHWBXSA-N 1 0 280.372 -1.076 20 30 CAEDRO CC(=O)NCC(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135170321 776838649 /nfs/dbraw/zinc/83/86/49/776838649.db2.gz ZDKVJHUZYPZYQD-UHFFFAOYSA-N 1 0 297.359 -1.506 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135135096 776838614 /nfs/dbraw/zinc/83/86/14/776838614.db2.gz LHQQGEOHLKZWHM-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135134860 776838925 /nfs/dbraw/zinc/83/89/25/776838925.db2.gz DSZMAUDJSALZSC-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(F)c[nH]1 ZINC001283783494 777916439 /nfs/dbraw/zinc/91/64/39/777916439.db2.gz YFRSKJHAKMMEQZ-VIFPVBQESA-N 1 0 297.290 -1.526 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN1CCCNC1=O ZINC001283770627 777916532 /nfs/dbraw/zinc/91/65/32/777916532.db2.gz LPQPLVASCXMTJZ-JTQLQIEISA-N 1 0 268.317 -1.898 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN1CCCNC1=O ZINC001283770629 777916578 /nfs/dbraw/zinc/91/65/78/777916578.db2.gz LPQPLVASCXMTJZ-SNVBAGLBSA-N 1 0 268.317 -1.898 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001283783111 777916797 /nfs/dbraw/zinc/91/67/97/777916797.db2.gz VUDMGYNLWLVKHM-GHMZBOCLSA-N 1 0 282.344 -1.523 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(F)c[nH]1 ZINC001283783484 777916875 /nfs/dbraw/zinc/91/68/75/777916875.db2.gz YFRSKJHAKMMEQZ-SECBINFHSA-N 1 0 297.290 -1.526 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001283772696 777916905 /nfs/dbraw/zinc/91/69/05/777916905.db2.gz SAHMEOBNKWJOMG-SECBINFHSA-N 1 0 264.347 -1.326 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001283781230 777916967 /nfs/dbraw/zinc/91/69/67/777916967.db2.gz AWWRGHNHNDERHB-WDEREUQCSA-N 1 0 288.369 -1.489 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001283772975 777917130 /nfs/dbraw/zinc/91/71/30/777917130.db2.gz VDNUOWMNBNIWAE-UWVGGRQHSA-N 1 0 255.318 -1.235 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283792845 777917221 /nfs/dbraw/zinc/91/72/21/777917221.db2.gz OPVCBGZFPGKCCA-SECBINFHSA-N 1 0 282.304 -2.460 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001283795029 777917888 /nfs/dbraw/zinc/91/78/88/777917888.db2.gz BPEZALLPLQCPBG-VHSXEESVSA-N 1 0 255.318 -1.283 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001283791403 777918022 /nfs/dbraw/zinc/91/80/22/777918022.db2.gz GJPMILXCVFRAPN-MRVPVSSYSA-N 1 0 254.290 -1.008 20 30 CAEDRO CC1(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CCC1 ZINC001283793444 777918157 /nfs/dbraw/zinc/91/81/57/777918157.db2.gz UJXZDCHYQWRXJJ-SNVBAGLBSA-N 1 0 282.344 -1.117 20 30 CAEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283791327 777918542 /nfs/dbraw/zinc/91/85/42/777918542.db2.gz FIGDGZOZTIUOTI-VIFPVBQESA-N 1 0 268.321 -1.143 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1nc(C)c[nH]1 ZINC001283812217 777920409 /nfs/dbraw/zinc/92/04/09/777920409.db2.gz FPLCYVYSTXMGLE-SNVBAGLBSA-N 1 0 295.343 -1.299 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O)nn1 ZINC001283813791 777920489 /nfs/dbraw/zinc/92/04/89/777920489.db2.gz QFJVRLSJZFNIET-RKDXNWHRSA-N 1 0 296.331 -1.982 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nccs1 ZINC001283815143 777920582 /nfs/dbraw/zinc/92/05/82/777920582.db2.gz KPQVJIVSQSQARL-VIFPVBQESA-N 1 0 296.352 -1.427 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001283819015 777920893 /nfs/dbraw/zinc/92/08/93/777920893.db2.gz STZOBDYGVGVBMY-SECBINFHSA-N 1 0 284.316 -1.819 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001283823640 777921225 /nfs/dbraw/zinc/92/12/25/777921225.db2.gz IXDNMLBDGNDAPX-UWVGGRQHSA-N 1 0 298.343 -2.366 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001283813770 777921415 /nfs/dbraw/zinc/92/14/15/777921415.db2.gz CGFFYVSSSYNLTI-BXUZGUMPSA-N 1 0 297.355 -1.771 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)C(C)C ZINC001283827741 777922143 /nfs/dbraw/zinc/92/21/43/777922143.db2.gz QYSLMVNQXXRIBQ-NSHDSACASA-N 1 0 290.385 -1.100 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001283831892 777922442 /nfs/dbraw/zinc/92/24/42/777922442.db2.gz PADVONRXVOEPKJ-MNOVXSKESA-N 1 0 288.369 -1.346 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001283831891 777922487 /nfs/dbraw/zinc/92/24/87/777922487.db2.gz PADVONRXVOEPKJ-GHMZBOCLSA-N 1 0 288.369 -1.346 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)C(C)C ZINC001283827740 777922546 /nfs/dbraw/zinc/92/25/46/777922546.db2.gz QYSLMVNQXXRIBQ-LLVKDONJSA-N 1 0 290.385 -1.100 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001283827060 777922567 /nfs/dbraw/zinc/92/25/67/777922567.db2.gz GIWPAKKXNGVKRM-SECBINFHSA-N 1 0 291.311 -1.721 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001283827666 777922770 /nfs/dbraw/zinc/92/27/70/777922770.db2.gz PTSCMTZLMLLAJI-SECBINFHSA-N 1 0 296.327 -1.258 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cn1ccccc1=O ZINC001283826995 777922876 /nfs/dbraw/zinc/92/28/76/777922876.db2.gz FSWWKGOVSYUCDB-LBPRGKRZSA-N 1 0 277.324 -1.062 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001283842905 777923646 /nfs/dbraw/zinc/92/36/46/777923646.db2.gz RGXKMXJUXJSYEK-RKDXNWHRSA-N 1 0 267.285 -2.261 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)[C@@H]1C ZINC001283938393 777924933 /nfs/dbraw/zinc/92/49/33/777924933.db2.gz HPOIYVRTKBNGRH-NXEZZACHSA-N 1 0 273.358 -1.252 20 30 CAEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001283947567 777924973 /nfs/dbraw/zinc/92/49/73/777924973.db2.gz MEHVVVHTOPESED-VXGBXAGGSA-N 1 0 292.343 -1.098 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@@H]1C ZINC001283938395 777925005 /nfs/dbraw/zinc/92/50/05/777925005.db2.gz HPOIYVRTKBNGRH-ZJUUUORDSA-N 1 0 273.358 -1.252 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001284000375 777925877 /nfs/dbraw/zinc/92/58/77/777925877.db2.gz NBBQVMFQIHTDHW-ZJUUUORDSA-N 1 0 288.373 -1.748 20 30 CAEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1nc[nH]n1 ZINC001284015407 777926573 /nfs/dbraw/zinc/92/65/73/777926573.db2.gz RWVMLCAUKQAUPM-BDAKNGLRSA-N 1 0 291.315 -1.363 20 30 CAEDRO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001284314339 777935488 /nfs/dbraw/zinc/93/54/88/777935488.db2.gz XFVQVMPCFIBRFB-QMMMGPOBSA-N 1 0 281.316 -2.062 20 30 CAEDRO CC1(C)CN(C(=O)C(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001284314330 777935527 /nfs/dbraw/zinc/93/55/27/777935527.db2.gz XFVQVMPCFIBRFB-MRVPVSSYSA-N 1 0 281.316 -2.062 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001284405390 777939432 /nfs/dbraw/zinc/93/94/32/777939432.db2.gz UPYCIVZYSNZUPV-VHSXEESVSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001284415625 777939454 /nfs/dbraw/zinc/93/94/54/777939454.db2.gz DDUAXXIEOAEHPL-VHSXEESVSA-N 1 0 271.317 -2.081 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001284414977 777939554 /nfs/dbraw/zinc/93/95/54/777939554.db2.gz AKLGPZOHDZOQPR-BDAKNGLRSA-N 1 0 282.300 -2.373 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001284415626 777940050 /nfs/dbraw/zinc/94/00/50/777940050.db2.gz DDUAXXIEOAEHPL-ZJUUUORDSA-N 1 0 271.317 -2.081 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC ZINC001284402644 777940294 /nfs/dbraw/zinc/94/02/94/777940294.db2.gz RGWGPJOVABJSOJ-MFKMUULPSA-N 1 0 287.360 -1.532 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001284417198 777940306 /nfs/dbraw/zinc/94/03/06/777940306.db2.gz UIIZKLKAYNJYSX-KBPBESRZSA-N 1 0 297.399 -1.125 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001284430463 777940797 /nfs/dbraw/zinc/94/07/97/777940797.db2.gz RHOAREOLUNYLGZ-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001284425963 777940832 /nfs/dbraw/zinc/94/08/32/777940832.db2.gz YFVITIJRJYDDNA-VIFPVBQESA-N 1 0 264.285 -1.162 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001284430360 777940916 /nfs/dbraw/zinc/94/09/16/777940916.db2.gz QUAIRDOKHPLGIA-NSHDSACASA-N 1 0 295.343 -1.986 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001284427667 777940983 /nfs/dbraw/zinc/94/09/83/777940983.db2.gz BOHBKQBYRMYEIQ-LBPRGKRZSA-N 1 0 298.387 -1.645 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001284433120 777941158 /nfs/dbraw/zinc/94/11/58/777941158.db2.gz WPJOAWMAMXPRPM-LLVKDONJSA-N 1 0 288.311 -1.220 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001284439088 777942120 /nfs/dbraw/zinc/94/21/20/777942120.db2.gz ZKFHHHWSQYJUPZ-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001284445258 777942398 /nfs/dbraw/zinc/94/23/98/777942398.db2.gz RBBKJTKOEVPGHN-NXEZZACHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284444780 777942998 /nfs/dbraw/zinc/94/29/98/777942998.db2.gz NMBXZMWEDUEDDI-DTWKUNHWSA-N 1 0 284.316 -2.982 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001284476077 777944746 /nfs/dbraw/zinc/94/47/46/777944746.db2.gz FKGIGNSLSZNGEO-CYBMUJFWSA-N 1 0 294.355 -1.058 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001284490856 777945254 /nfs/dbraw/zinc/94/52/54/777945254.db2.gz BMSYMOOXVTVEKH-JTQLQIEISA-N 1 0 255.318 -1.364 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001284471308 777945819 /nfs/dbraw/zinc/94/58/19/777945819.db2.gz ZVSBYOKDQIMORO-STQMWFEESA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001284471306 777945911 /nfs/dbraw/zinc/94/59/11/777945911.db2.gz ZVSBYOKDQIMORO-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001284481338 777945976 /nfs/dbraw/zinc/94/59/76/777945976.db2.gz GHHUMNWHGMMTAZ-LBPRGKRZSA-N 1 0 281.356 -1.007 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001284467889 777946089 /nfs/dbraw/zinc/94/60/89/777946089.db2.gz LKCRBCRJAHEFPP-LLVKDONJSA-N 1 0 265.317 -1.290 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001284476601 777946127 /nfs/dbraw/zinc/94/61/27/777946127.db2.gz JAMVPUAPRIRDSW-GHMZBOCLSA-N 1 0 295.339 -1.529 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001284492204 777946801 /nfs/dbraw/zinc/94/68/01/777946801.db2.gz HNGDLBJZKJQZEE-VXGBXAGGSA-N 1 0 281.356 -1.151 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001284504618 777947429 /nfs/dbraw/zinc/94/74/29/777947429.db2.gz HLPNFHMRGSRXEX-NWDGAFQWSA-N 1 0 296.371 -1.216 20 30 CAEDRO C=CCOCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001287748993 778008242 /nfs/dbraw/zinc/00/82/42/778008242.db2.gz BYFZBKWDKISUQD-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC001290834787 778030623 /nfs/dbraw/zinc/03/06/23/778030623.db2.gz KBNKCPMOMYKQHD-SNVBAGLBSA-N 1 0 283.328 -1.006 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC001290834786 778030992 /nfs/dbraw/zinc/03/09/92/778030992.db2.gz KBNKCPMOMYKQHD-JTQLQIEISA-N 1 0 283.328 -1.006 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001301916602 778136079 /nfs/dbraw/zinc/13/60/79/778136079.db2.gz REIDWTASOPPGTF-NXEZZACHSA-N 1 0 276.358 -1.232 20 30 CAEDRO CN(C)c1nc(N)nc(C(=O)NCC#CC[NH+](C)C)n1 ZINC001302295070 778137423 /nfs/dbraw/zinc/13/74/23/778137423.db2.gz HWCWYSRLYVCXTC-UHFFFAOYSA-N 1 0 277.332 -1.185 20 30 CAEDRO C#CCNC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC001116951685 779519379 /nfs/dbraw/zinc/51/93/79/779519379.db2.gz MWBQNDOEVPBWIQ-UHFFFAOYSA-N 1 0 292.339 -1.000 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001118088673 779547569 /nfs/dbraw/zinc/54/75/69/779547569.db2.gz NNJBIXIRECTCFE-JTQLQIEISA-N 1 0 278.378 -1.668 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NCC[NH2+]C)nn1 ZINC001118086387 779546997 /nfs/dbraw/zinc/54/69/97/779546997.db2.gz SHRSLORCBUFSLW-UHFFFAOYSA-N 1 0 266.305 -1.584 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)nn1 ZINC001118086204 779547433 /nfs/dbraw/zinc/54/74/33/779547433.db2.gz RCSUHPUMSBZDCN-VIFPVBQESA-N 1 0 278.316 -1.360 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC001118038764 779547485 /nfs/dbraw/zinc/54/74/85/779547485.db2.gz OCYZTJFQTBYJFZ-JTQLQIEISA-N 1 0 253.302 -1.427 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001118204074 779552645 /nfs/dbraw/zinc/55/26/45/779552645.db2.gz ZUGRKECFSZQGKM-BDAKNGLRSA-N 1 0 277.284 -1.846 20 30 CAEDRO CS(=O)(=O)NCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001118204341 779554320 /nfs/dbraw/zinc/55/43/20/779554320.db2.gz JJADHQKELKCPJN-YUMQZZPRSA-N 1 0 260.319 -1.847 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C[NH3+])C2)C1=O ZINC001118260359 779558352 /nfs/dbraw/zinc/55/83/52/779558352.db2.gz HCERKCQWXDYQRX-VIFPVBQESA-N 1 0 294.311 -1.230 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001118269569 779559394 /nfs/dbraw/zinc/55/93/94/779559394.db2.gz KWXGAWVIYRVWKS-HTQZYQBOSA-N 1 0 263.257 -1.823 20 30 CAEDRO N#Cc1ncn(CC(=O)NCCN2CC[NH2+]CC2)n1 ZINC001118272442 779559641 /nfs/dbraw/zinc/55/96/41/779559641.db2.gz YLURUJJMUMXFPG-UHFFFAOYSA-N 1 0 263.305 -1.829 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC001118328895 779565248 /nfs/dbraw/zinc/56/52/48/779565248.db2.gz OPBYJDQYVLPBIA-SNVBAGLBSA-N 1 0 280.328 -1.017 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCc1nncn1C ZINC001118350513 779566515 /nfs/dbraw/zinc/56/65/15/779566515.db2.gz MRYBDYFSVZSEMJ-UHFFFAOYSA-N 1 0 281.364 -1.188 20 30 CAEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001118904327 779595980 /nfs/dbraw/zinc/59/59/80/779595980.db2.gz ZRIDHWQTOGNZTP-RKDXNWHRSA-N 1 0 254.290 -1.457 20 30 CAEDRO NC(=O)[C@@]1(NC(=O)C#CC2CC[NH2+]CC2)CCOC1 ZINC001118505227 779571817 /nfs/dbraw/zinc/57/18/17/779571817.db2.gz CEYCIJKIEWKFDC-CYBMUJFWSA-N 1 0 265.313 -1.250 20 30 CAEDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001118525174 779573062 /nfs/dbraw/zinc/57/30/62/779573062.db2.gz KSLXLTQRBNPBLQ-CQSZACIVSA-N 1 0 294.355 -1.117 20 30 CAEDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001118525173 779573394 /nfs/dbraw/zinc/57/33/94/779573394.db2.gz KSLXLTQRBNPBLQ-AWEZNQCLSA-N 1 0 294.355 -1.117 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001118537710 779574443 /nfs/dbraw/zinc/57/44/43/779574443.db2.gz LWWQDAJPWVCFAE-LLVKDONJSA-N 1 0 284.360 -1.594 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001118537711 779574696 /nfs/dbraw/zinc/57/46/96/779574696.db2.gz LWWQDAJPWVCFAE-NSHDSACASA-N 1 0 284.360 -1.594 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC001118547036 779574747 /nfs/dbraw/zinc/57/47/47/779574747.db2.gz SQLWNDPRFDOJEK-UHFFFAOYSA-N 1 0 291.373 -1.489 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC001118551312 779575336 /nfs/dbraw/zinc/57/53/36/779575336.db2.gz AZGZEQASCAHJQF-QWRGUYRKSA-N 1 0 285.344 -1.120 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC001118551298 779575700 /nfs/dbraw/zinc/57/57/00/779575700.db2.gz AZGZEQASCAHJQF-GHMZBOCLSA-N 1 0 285.344 -1.120 20 30 CAEDRO N#C[C@]1(F)CCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001118872018 779592757 /nfs/dbraw/zinc/59/27/57/779592757.db2.gz QWNLYNVEZOQLJE-GFCCVEGCSA-N 1 0 286.307 -1.068 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001118893942 779594805 /nfs/dbraw/zinc/59/48/05/779594805.db2.gz XPXJGGYALWXBHH-UHFFFAOYSA-N 1 0 290.389 -1.112 20 30 CAEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001118904323 779595780 /nfs/dbraw/zinc/59/57/80/779595780.db2.gz ZRIDHWQTOGNZTP-DTWKUNHWSA-N 1 0 254.290 -1.457 20 30 CAEDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001119037462 779602928 /nfs/dbraw/zinc/60/29/28/779602928.db2.gz TYTFQEJXFWBIJL-CMPLNLGQSA-N 1 0 293.371 -1.009 20 30 CAEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001119037465 779602983 /nfs/dbraw/zinc/60/29/83/779602983.db2.gz TYTFQEJXFWBIJL-ZYHUDNBSSA-N 1 0 293.371 -1.009 20 30 CAEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001119037464 779603373 /nfs/dbraw/zinc/60/33/73/779603373.db2.gz TYTFQEJXFWBIJL-PWSUYJOCSA-N 1 0 293.371 -1.009 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119353385 779611726 /nfs/dbraw/zinc/61/17/26/779611726.db2.gz WFIBKPLGXJSHIS-UWVGGRQHSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119353386 779612418 /nfs/dbraw/zinc/61/24/18/779612418.db2.gz WFIBKPLGXJSHIS-VHSXEESVSA-N 1 0 253.302 -1.300 20 30 CAEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC001119607967 779619797 /nfs/dbraw/zinc/61/97/97/779619797.db2.gz QDHBUHYWTUEWPC-QWRGUYRKSA-N 1 0 280.328 -1.065 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC001119662337 779623087 /nfs/dbraw/zinc/62/30/87/779623087.db2.gz FOVADCIGSLMUKV-UHFFFAOYSA-N 1 0 259.331 -1.511 20 30 CAEDRO C[N@H+](C[C@H](O)CC#N)C[C@@H](O)CN1CCOCC1 ZINC001119685369 779623705 /nfs/dbraw/zinc/62/37/05/779623705.db2.gz OCWAIMARRCXELT-VXGBXAGGSA-N 1 0 257.334 -1.114 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCO1 ZINC001120270245 779633347 /nfs/dbraw/zinc/63/33/47/779633347.db2.gz KICHSLXXTRMIMT-CABZTGNLSA-N 1 0 266.301 -1.313 20 30 CAEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001120270716 779633409 /nfs/dbraw/zinc/63/34/09/779633409.db2.gz PXBAGSWQGUMGJB-GXFFZTMASA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C1CCN(CC(N)=O)CC1 ZINC001120469743 779638718 /nfs/dbraw/zinc/63/87/18/779638718.db2.gz WKRMUHCYZGOHTC-UHFFFAOYSA-N 1 0 266.345 -1.335 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120542099 779642152 /nfs/dbraw/zinc/64/21/52/779642152.db2.gz GWSDFGIMAASNHK-LNFKQOIKSA-N 1 0 278.312 -1.254 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001121816479 779650342 /nfs/dbraw/zinc/65/03/42/779650342.db2.gz XFMYRWJOPDFFHW-GFCCVEGCSA-N 1 0 299.396 -1.460 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121674618 779650361 /nfs/dbraw/zinc/65/03/61/779650361.db2.gz MICSTVWLSYQCIW-UHFFFAOYSA-N 1 0 294.355 -1.209 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001121937586 779652526 /nfs/dbraw/zinc/65/25/26/779652526.db2.gz QPSIZWQUXNBFAL-GFCCVEGCSA-N 1 0 250.346 -1.285 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC001121894582 779652744 /nfs/dbraw/zinc/65/27/44/779652744.db2.gz HZNBZNCPEKRVSW-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCS(=O)(=O)NC(C)C ZINC001121941988 779654105 /nfs/dbraw/zinc/65/41/05/779654105.db2.gz PGWGEJMQIASYML-UHFFFAOYSA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001121979709 779654412 /nfs/dbraw/zinc/65/44/12/779654412.db2.gz WMGNNRIXPZXKOH-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CCC)NC(N)=O ZINC001149095231 779663062 /nfs/dbraw/zinc/66/30/62/779663062.db2.gz WWEQWNZAWWFYTA-SNVBAGLBSA-N 1 0 299.375 -1.169 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(F)F ZINC001122400264 779667546 /nfs/dbraw/zinc/66/75/46/779667546.db2.gz QSSUTXIZQLAJNG-UHFFFAOYSA-N 1 0 278.259 -1.031 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CCOCC1 ZINC001122496801 779671378 /nfs/dbraw/zinc/67/13/78/779671378.db2.gz AYALYMDRSZMKPA-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CNC(C)=O ZINC001122667385 779673281 /nfs/dbraw/zinc/67/32/81/779673281.db2.gz CJYNYLWTRXMITJ-UHFFFAOYSA-N 1 0 297.359 -1.410 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CNC(C)=O)C1=O ZINC001122674771 779673368 /nfs/dbraw/zinc/67/33/68/779673368.db2.gz BWUKDEWNMLZTHE-LLVKDONJSA-N 1 0 282.344 -1.385 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CNC(C)=O ZINC001122667628 779673709 /nfs/dbraw/zinc/67/37/09/779673709.db2.gz JINHFEUYDJPVFJ-UHFFFAOYSA-N 1 0 299.331 -2.160 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(C)=O ZINC001122680219 779674810 /nfs/dbraw/zinc/67/48/10/779674810.db2.gz SZGQISUNCGGXLQ-SECBINFHSA-N 1 0 268.317 -2.034 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnccn1 ZINC001122840639 779675820 /nfs/dbraw/zinc/67/58/20/779675820.db2.gz RYAPFQGNBMOJKE-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnccn1 ZINC001122825968 779675931 /nfs/dbraw/zinc/67/59/31/779675931.db2.gz CFWJBMCHXAQICP-UHFFFAOYSA-N 1 0 261.285 -1.455 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1=COCCO1 ZINC001123019487 779676852 /nfs/dbraw/zinc/67/68/52/779676852.db2.gz LUIZICQCXCFBBN-UHFFFAOYSA-N 1 0 269.301 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCO1 ZINC001123128525 779680442 /nfs/dbraw/zinc/68/04/42/779680442.db2.gz VVBQLJOTEAFGRJ-SNVBAGLBSA-N 1 0 253.302 -1.379 20 30 CAEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)no1 ZINC001123186500 779682527 /nfs/dbraw/zinc/68/25/27/779682527.db2.gz DRGSXEXRIGZYLO-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CNC(N)=O ZINC001123257052 779684704 /nfs/dbraw/zinc/68/47/04/779684704.db2.gz GMXGEXYCDCPMSB-UHFFFAOYSA-N 1 0 256.266 -3.000 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CNC(N)=O)C1=O ZINC001123242863 779682919 /nfs/dbraw/zinc/68/29/19/779682919.db2.gz VGDZIYQGFPFSJI-VIFPVBQESA-N 1 0 283.332 -1.853 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(N)=O ZINC001123257035 779683254 /nfs/dbraw/zinc/68/32/54/779683254.db2.gz FIHQZCVJIZSYAS-QMMMGPOBSA-N 1 0 269.305 -2.502 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123786938 779693123 /nfs/dbraw/zinc/69/31/23/779693123.db2.gz HLRYLHCUCYUNSB-UHFFFAOYSA-N 1 0 269.330 -1.411 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123869422 779695318 /nfs/dbraw/zinc/69/53/18/779695318.db2.gz HRLSCCOUVYXTKS-LLVKDONJSA-N 1 0 256.302 -1.243 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123313825 779687294 /nfs/dbraw/zinc/68/72/94/779687294.db2.gz XUDKATCZPYFUPI-UHFFFAOYSA-N 1 0 252.278 -1.971 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cn2cnnn2)C1=O ZINC001123313792 779687420 /nfs/dbraw/zinc/68/74/20/779687420.db2.gz XABQPSWEZLRRIS-JTQLQIEISA-N 1 0 293.331 -1.834 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123335201 779688241 /nfs/dbraw/zinc/68/82/41/779688241.db2.gz HSXQJXPGUQEGBB-VIFPVBQESA-N 1 0 279.304 -2.483 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1cccn1 ZINC001123514863 779689500 /nfs/dbraw/zinc/68/95/00/779689500.db2.gz HYXCXCZGBXTWJI-UHFFFAOYSA-N 1 0 265.317 -1.109 20 30 CAEDRO Cc1c(C(=O)NCC[NH2+]CC(=O)NCC#N)cnn1C ZINC001123592059 779690818 /nfs/dbraw/zinc/69/08/18/779690818.db2.gz HFHUQGJLNWJTML-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCn1cncn1 ZINC001123660345 779691879 /nfs/dbraw/zinc/69/18/79/779691879.db2.gz XUNRMCACHCCZOS-UHFFFAOYSA-N 1 0 279.304 -1.986 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC(O)(CC#N)C1 ZINC001123788554 779692657 /nfs/dbraw/zinc/69/26/57/779692657.db2.gz BLLUZZRDUKKOOV-MNOVXSKESA-N 1 0 264.329 -1.138 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001123792017 779693043 /nfs/dbraw/zinc/69/30/43/779693043.db2.gz DVJIUTXJNVSDRO-UHFFFAOYSA-N 1 0 285.373 -1.026 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001123792270 779693073 /nfs/dbraw/zinc/69/30/73/779693073.db2.gz PYBZUXRVDQFEBN-UHFFFAOYSA-N 1 0 273.318 -1.856 20 30 CAEDRO N#CCSCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001123792213 779693149 /nfs/dbraw/zinc/69/31/49/779693149.db2.gz NBGFRAFISWZUQF-QMMMGPOBSA-N 1 0 256.331 -1.163 20 30 CAEDRO C[C@@H]([NH2+]CCNC(=O)CSCC#N)C(=O)NC(N)=O ZINC001123799456 779693243 /nfs/dbraw/zinc/69/32/43/779693243.db2.gz SJNGYWRNQGULDK-SSDOTTSWSA-N 1 0 287.345 -1.468 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC(O)(CC#N)C1 ZINC001123788548 779693466 /nfs/dbraw/zinc/69/34/66/779693466.db2.gz BLLUZZRDUKKOOV-GHMZBOCLSA-N 1 0 264.329 -1.138 20 30 CAEDRO CCc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001123856665 779695856 /nfs/dbraw/zinc/69/58/56/779695856.db2.gz DUUMGIWTBYWACB-UHFFFAOYSA-N 1 0 278.316 -1.069 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890732 779697740 /nfs/dbraw/zinc/69/77/40/779697740.db2.gz BHMSCOBBYRTYNT-GHMZBOCLSA-N 1 0 283.328 -1.755 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123890780 779697798 /nfs/dbraw/zinc/69/77/98/779697798.db2.gz CKQFBPBXINBYLI-WDEREUQCSA-N 1 0 285.344 -1.202 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890733 779697964 /nfs/dbraw/zinc/69/79/64/779697964.db2.gz BHMSCOBBYRTYNT-MNOVXSKESA-N 1 0 283.328 -1.755 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123911323 779698394 /nfs/dbraw/zinc/69/83/94/779698394.db2.gz MAKOZAAXXYDAHX-SECBINFHSA-N 1 0 263.301 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890734 779698468 /nfs/dbraw/zinc/69/84/68/779698468.db2.gz BHMSCOBBYRTYNT-QWRGUYRKSA-N 1 0 283.328 -1.755 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890778 779698548 /nfs/dbraw/zinc/69/85/48/779698548.db2.gz CKQFBPBXINBYLI-MNOVXSKESA-N 1 0 285.344 -1.202 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)n1cccn1 ZINC001123917680 779698554 /nfs/dbraw/zinc/69/85/54/779698554.db2.gz FFHTYQVOXBBHBA-LLVKDONJSA-N 1 0 277.328 -1.101 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123898236 779698588 /nfs/dbraw/zinc/69/85/88/779698588.db2.gz XWZGHBMQPLDDKW-UHFFFAOYSA-N 1 0 294.315 -1.259 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)n1cccn1 ZINC001123918160 779699379 /nfs/dbraw/zinc/69/93/79/779699379.db2.gz MCIWRCOWJJBYEF-JTQLQIEISA-N 1 0 278.316 -1.210 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn[nH]c1 ZINC001124077368 779702265 /nfs/dbraw/zinc/70/22/65/779702265.db2.gz BZMCDCBJOGGPQS-SECBINFHSA-N 1 0 263.301 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCO1 ZINC001124033115 779702352 /nfs/dbraw/zinc/70/23/52/779702352.db2.gz KNGODPAPHGYTOI-SNVBAGLBSA-N 1 0 268.317 -1.099 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124088575 779702817 /nfs/dbraw/zinc/70/28/17/779702817.db2.gz FHBWJEVGSBDMJD-JTQLQIEISA-N 1 0 294.355 -1.644 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124101377 779703197 /nfs/dbraw/zinc/70/31/97/779703197.db2.gz KBTQVPMOVNYMCS-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124085127 779703650 /nfs/dbraw/zinc/70/36/50/779703650.db2.gz XSZKBMIKAVEUGA-UHFFFAOYSA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]1OCC ZINC001124141506 779705248 /nfs/dbraw/zinc/70/52/48/779705248.db2.gz VMSYNTJXDPPDDF-QWRGUYRKSA-N 1 0 267.329 -1.133 20 30 CAEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1C ZINC001124277839 779708779 /nfs/dbraw/zinc/70/87/79/779708779.db2.gz OEHBWTXAJYCRPR-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)OC ZINC001124297168 779708788 /nfs/dbraw/zinc/70/87/88/779708788.db2.gz GODZIPIFOLDOHY-ZJUUUORDSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OC ZINC001124297166 779708839 /nfs/dbraw/zinc/70/88/39/779708839.db2.gz GODZIPIFOLDOHY-UWVGGRQHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)OC ZINC001124297167 779708910 /nfs/dbraw/zinc/70/89/10/779708910.db2.gz GODZIPIFOLDOHY-VHSXEESVSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cc(C)cn1 ZINC001124287781 779709333 /nfs/dbraw/zinc/70/93/33/779709333.db2.gz KTLNXBSSNRUOES-UHFFFAOYSA-N 1 0 277.328 -1.353 20 30 CAEDRO CS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124355744 779709975 /nfs/dbraw/zinc/70/99/75/779709975.db2.gz JWRUTJLRQJVXKP-UHFFFAOYSA-N 1 0 276.318 -2.623 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124362550 779710013 /nfs/dbraw/zinc/71/00/13/779710013.db2.gz OGGIFJCDVAYEGJ-UHFFFAOYSA-N 1 0 264.347 -1.061 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124509312 779711403 /nfs/dbraw/zinc/71/14/03/779711403.db2.gz NKVBRDQJHKVHOZ-WDEREUQCSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124501384 779711555 /nfs/dbraw/zinc/71/15/55/779711555.db2.gz KIGZHHNFNJARFV-SNVBAGLBSA-N 1 0 253.302 -1.522 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnn1C ZINC001124545002 779711729 /nfs/dbraw/zinc/71/17/29/779711729.db2.gz XCAXPHNHQWSNJS-UHFFFAOYSA-N 1 0 263.301 -1.511 20 30 CAEDRO Cn1cc(CC(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001124608627 779713426 /nfs/dbraw/zinc/71/34/26/779713426.db2.gz YZSUZCCTFARNOS-UHFFFAOYSA-N 1 0 278.316 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cnn(C)c1 ZINC001124607531 779713993 /nfs/dbraw/zinc/71/39/93/779713993.db2.gz OYHXAWGKGONPSC-UHFFFAOYSA-N 1 0 279.344 -1.029 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cnn(C)c1 ZINC001124613470 779714183 /nfs/dbraw/zinc/71/41/83/779714183.db2.gz OFYLHHNAYMRHDB-UHFFFAOYSA-N 1 0 277.328 -1.582 20 30 CAEDRO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124663984 779714298 /nfs/dbraw/zinc/71/42/98/779714298.db2.gz SVBLRAUFUNECAI-IUCAKERBSA-N 1 0 282.300 -1.859 20 30 CAEDRO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124663986 779715258 /nfs/dbraw/zinc/71/52/58/779715258.db2.gz SVBLRAUFUNECAI-RKDXNWHRSA-N 1 0 282.300 -1.859 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124773260 779716391 /nfs/dbraw/zinc/71/63/91/779716391.db2.gz PPHDLLHCHXWYDZ-UHFFFAOYSA-N 1 0 298.343 -1.163 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001124764868 779716459 /nfs/dbraw/zinc/71/64/59/779716459.db2.gz DQHNYYARRCIXQB-UHFFFAOYSA-N 1 0 272.305 -1.650 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124814637 779718494 /nfs/dbraw/zinc/71/84/94/779718494.db2.gz LFBHPTGOOALLKA-MNOVXSKESA-N 1 0 294.355 -1.242 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124895574 779719076 /nfs/dbraw/zinc/71/90/76/779719076.db2.gz HRJGGBURKHAECU-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)CC ZINC001124866825 779719783 /nfs/dbraw/zinc/71/97/83/779719783.db2.gz LPYRGDLWUOYFKK-UHFFFAOYSA-N 1 0 270.333 -1.479 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124889017 779720052 /nfs/dbraw/zinc/72/00/52/779720052.db2.gz OPKSIPPVBUFUCY-VIFPVBQESA-N 1 0 281.316 -1.136 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124895575 779720067 /nfs/dbraw/zinc/72/00/67/779720067.db2.gz HRJGGBURKHAECU-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO Cc1nn(C)cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124963107 779720931 /nfs/dbraw/zinc/72/09/31/779720931.db2.gz VCZIJMPLKXTKJH-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nccnc1N ZINC001125033964 779721145 /nfs/dbraw/zinc/72/11/45/779721145.db2.gz IEHWVIWZKZHYHJ-SECBINFHSA-N 1 0 290.327 -1.484 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1nccnc1N ZINC001125029508 779721312 /nfs/dbraw/zinc/72/13/12/779721312.db2.gz YHHRMOWRLUKPET-UHFFFAOYSA-N 1 0 277.288 -1.982 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125141535 779722169 /nfs/dbraw/zinc/72/21/69/779722169.db2.gz QXSODNVJQCFGKN-UHFFFAOYSA-N 1 0 265.317 -1.040 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125213311 779723403 /nfs/dbraw/zinc/72/34/03/779723403.db2.gz DLGGYDINPYWGCZ-NSHDSACASA-N 1 0 282.344 -2.228 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125185397 779724208 /nfs/dbraw/zinc/72/42/08/779724208.db2.gz ZZWBTWWHRIMIRT-SECBINFHSA-N 1 0 292.343 -1.419 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206733462 779734596 /nfs/dbraw/zinc/73/45/96/779734596.db2.gz SCGVXUDUHKDKSR-OUAUKWLOSA-N 1 0 296.371 -1.011 20 30 CAEDRO C[NH+]1CCN(CCC(=O)N2CCNC[C@@H]2C#N)CC1 ZINC001143225311 779770194 /nfs/dbraw/zinc/77/01/94/779770194.db2.gz YDBSRVJCKSECPU-LBPRGKRZSA-N 1 0 265.361 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)nn(C)c1F ZINC001149364498 779776525 /nfs/dbraw/zinc/77/65/25/779776525.db2.gz IXTGCWBTTRWMDA-UHFFFAOYSA-N 1 0 295.318 -1.064 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cncn1C ZINC001149557795 779780188 /nfs/dbraw/zinc/78/01/88/779780188.db2.gz BLGRFWXLMWYJDQ-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149531245 779780201 /nfs/dbraw/zinc/78/02/01/779780201.db2.gz WAOYCHUAIYMTNV-CYBMUJFWSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001149601268 779781444 /nfs/dbraw/zinc/78/14/44/779781444.db2.gz UOIMIYQEXHZJBP-GFCCVEGCSA-N 1 0 297.355 -1.675 20 30 CAEDRO C#CCNC(=O)CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001149601269 779781460 /nfs/dbraw/zinc/78/14/60/779781460.db2.gz UOIMIYQEXHZJBP-LBPRGKRZSA-N 1 0 297.355 -1.675 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576351 779781976 /nfs/dbraw/zinc/78/19/76/779781976.db2.gz CIHISJIYPRWVMG-UHFFFAOYSA-N 1 0 265.317 -1.381 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)[nH]c1 ZINC001149747161 779782430 /nfs/dbraw/zinc/78/24/30/779782430.db2.gz CKJXGOFBURKZSY-UHFFFAOYSA-N 1 0 276.296 -1.144 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739438 779783269 /nfs/dbraw/zinc/78/32/69/779783269.db2.gz MVIRDEYAHHBLQW-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739386 779783412 /nfs/dbraw/zinc/78/34/12/779783412.db2.gz LPRBGFCUEWUCHR-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CCC(=O)N1CCOCC1 ZINC001150051666 779784342 /nfs/dbraw/zinc/78/43/42/779784342.db2.gz JMJJFMWNGVLJNK-UHFFFAOYSA-N 1 0 267.329 -1.036 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1ccc(=O)n(C)n1 ZINC001150130180 779787135 /nfs/dbraw/zinc/78/71/35/779787135.db2.gz LSGRKJIZCWHSGW-UHFFFAOYSA-N 1 0 278.312 -1.251 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)n(C)n1 ZINC001150141748 779787275 /nfs/dbraw/zinc/78/72/75/779787275.db2.gz HXTKJWFIRLROAL-UHFFFAOYSA-N 1 0 293.327 -1.598 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1cncn1 ZINC001150249966 779789079 /nfs/dbraw/zinc/78/90/79/779789079.db2.gz KTIKUUDRCMXGNC-UHFFFAOYSA-N 1 0 266.305 -1.714 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150344765 779791102 /nfs/dbraw/zinc/79/11/02/779791102.db2.gz LDERMZMUOVLSSN-UHFFFAOYSA-N 1 0 297.315 -2.454 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150340128 779791189 /nfs/dbraw/zinc/79/11/89/779791189.db2.gz XWVULVIITOZTJF-UHFFFAOYSA-N 1 0 284.316 -1.553 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150345597 779791389 /nfs/dbraw/zinc/79/13/89/779791389.db2.gz XKLSWZKHGPTDBK-UHFFFAOYSA-N 1 0 296.287 -3.116 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150339703 779791525 /nfs/dbraw/zinc/79/15/25/779791525.db2.gz SFBKFBKFSCSDQX-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150339681 779791788 /nfs/dbraw/zinc/79/17/88/779791788.db2.gz RKGATBAHKZSAIN-UHFFFAOYSA-N 1 0 254.290 -1.180 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150330563 779791982 /nfs/dbraw/zinc/79/19/82/779791982.db2.gz BFMANAWYBQGCLP-UHFFFAOYSA-N 1 0 298.343 -1.211 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150340167 779791999 /nfs/dbraw/zinc/79/19/99/779791999.db2.gz ZZPZTPACXGMFKX-UHFFFAOYSA-N 1 0 295.299 -3.007 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150399965 779792750 /nfs/dbraw/zinc/79/27/50/779792750.db2.gz JUJCTOINQKXEDF-JTQLQIEISA-N 1 0 296.327 -1.670 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150401418 779793294 /nfs/dbraw/zinc/79/32/94/779793294.db2.gz WWSWBVYRSPZZOP-JTQLQIEISA-N 1 0 298.343 -1.117 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150444681 779796327 /nfs/dbraw/zinc/79/63/27/779796327.db2.gz SPEVGQAGWQIMOU-UHFFFAOYSA-N 1 0 261.285 -1.082 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1ccccc1=O ZINC001150590324 779797880 /nfs/dbraw/zinc/79/78/80/779797880.db2.gz RUBSVQDKCLYSER-UHFFFAOYSA-N 1 0 290.323 -1.697 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1ccccc1=O ZINC001150590447 779798054 /nfs/dbraw/zinc/79/80/54/779798054.db2.gz XMQDJKVBWUSFTM-UHFFFAOYSA-N 1 0 292.339 -1.144 20 30 CAEDRO CC(C)(C)C(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001150829467 779800615 /nfs/dbraw/zinc/80/06/15/779800615.db2.gz UEEFMAKLRKHMHQ-UHFFFAOYSA-N 1 0 297.359 -1.506 20 30 CAEDRO C=CC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150971578 779801064 /nfs/dbraw/zinc/80/10/64/779801064.db2.gz ITNDXGQBDLDAKH-UHFFFAOYSA-N 1 0 252.274 -1.009 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001150997884 779802008 /nfs/dbraw/zinc/80/20/08/779802008.db2.gz ZMJASHQLMCNCES-UHFFFAOYSA-N 1 0 289.401 -1.001 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001151015912 779803371 /nfs/dbraw/zinc/80/33/71/779803371.db2.gz QNXSRTDPLOJXTI-UHFFFAOYSA-N 1 0 287.385 -1.554 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1ccnc1C ZINC001151122590 779804482 /nfs/dbraw/zinc/80/44/82/779804482.db2.gz VFBQYKRFPSHAIS-UHFFFAOYSA-N 1 0 277.328 -1.353 20 30 CAEDRO Cn1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001151084270 779804651 /nfs/dbraw/zinc/80/46/51/779804651.db2.gz MMSMWLSDEYRSJW-UHFFFAOYSA-N 1 0 264.289 -1.621 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(C)n1 ZINC001151306266 779807112 /nfs/dbraw/zinc/80/71/12/779807112.db2.gz DFKXEZOAFRQMLL-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151299058 779807321 /nfs/dbraw/zinc/80/73/21/779807321.db2.gz ACVKQPHPNGJUAM-SECBINFHSA-N 1 0 259.331 -1.593 20 30 CAEDRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC#CC[NH+](C)C ZINC001151241889 779808050 /nfs/dbraw/zinc/80/80/50/779808050.db2.gz JJXMGLMODKZTPY-JTQLQIEISA-N 1 0 293.331 -2.141 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)[C@H](C)CC ZINC001151367118 779808765 /nfs/dbraw/zinc/80/87/65/779808765.db2.gz XWYZHBNWAHQSKP-LLVKDONJSA-N 1 0 296.371 -1.396 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCN1CCCC1=O ZINC001151355182 779809525 /nfs/dbraw/zinc/80/95/25/779809525.db2.gz ZGEKRIGRCZYPDE-UHFFFAOYSA-N 1 0 294.355 -1.546 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151585868 779811708 /nfs/dbraw/zinc/81/17/08/779811708.db2.gz FRVJWKSGPRHULY-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151585869 779811998 /nfs/dbraw/zinc/81/19/98/779811998.db2.gz FRVJWKSGPRHULY-LBPRGKRZSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254512 779821608 /nfs/dbraw/zinc/82/16/08/779821608.db2.gz OVVFIUWDXYLAQE-UHFFFAOYSA-N 1 0 278.316 -1.877 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152261060 779821975 /nfs/dbraw/zinc/82/19/75/779821975.db2.gz YUVNAXOVTGTUHP-UHFFFAOYSA-N 1 0 266.305 -1.714 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001152399595 779822735 /nfs/dbraw/zinc/82/27/35/779822735.db2.gz ZVRRQCRTHJCFEE-VIFPVBQESA-N 1 0 299.375 -1.170 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414771 779824019 /nfs/dbraw/zinc/82/40/19/779824019.db2.gz MIEXTOWOOIFYSJ-UHFFFAOYSA-N 1 0 264.289 -1.894 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421209 779824066 /nfs/dbraw/zinc/82/40/66/779824066.db2.gz VUKAMTHZBGGIOD-UHFFFAOYSA-N 1 0 264.289 -1.894 20 30 CAEDRO C=CC[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420654 779824722 /nfs/dbraw/zinc/82/47/22/779824722.db2.gz GMMABTFJGVOPMN-UHFFFAOYSA-N 1 0 280.332 -1.128 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152699249 779829055 /nfs/dbraw/zinc/82/90/55/779829055.db2.gz SZPKKGAWSMOGOK-UHFFFAOYSA-N 1 0 280.328 -1.307 20 30 CAEDRO CNC(=O)CCCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153053760 779834797 /nfs/dbraw/zinc/83/47/97/779834797.db2.gz YZAPNHQWLBOZJV-UHFFFAOYSA-N 1 0 297.359 -1.362 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001153135624 779835448 /nfs/dbraw/zinc/83/54/48/779835448.db2.gz WFJXWBORQRLJEO-MRVPVSSYSA-N 1 0 272.305 -1.522 20 30 CAEDRO C=CCCOCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001153091550 779835715 /nfs/dbraw/zinc/83/57/15/779835715.db2.gz SMTDECGSCFVRHQ-VIFPVBQESA-N 1 0 286.332 -1.132 20 30 CAEDRO C=CCCOCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001153091034 779835784 /nfs/dbraw/zinc/83/57/84/779835784.db2.gz CYUXAZRPAKADHE-UHFFFAOYSA-N 1 0 293.389 -1.166 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001153135490 779836165 /nfs/dbraw/zinc/83/61/65/779836165.db2.gz VAISJNCVBUCKTQ-SECBINFHSA-N 1 0 286.332 -1.261 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001153159161 779836324 /nfs/dbraw/zinc/83/63/24/779836324.db2.gz IXQRTCZPWFVMHQ-DTWKUNHWSA-N 1 0 286.332 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccnc1 ZINC001153500561 779839989 /nfs/dbraw/zinc/83/99/89/779839989.db2.gz PBVGTUKIVBMQMM-NSHDSACASA-N 1 0 277.328 -1.273 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153578808 779841976 /nfs/dbraw/zinc/84/19/76/779841976.db2.gz WDBUAMZTMVNAON-JTQLQIEISA-N 1 0 297.359 -1.463 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COC[C@@H]1CCCO1 ZINC001153674242 779843483 /nfs/dbraw/zinc/84/34/83/779843483.db2.gz SVWVJTSKRPNXHK-NSHDSACASA-N 1 0 298.343 -1.472 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COC[C@@H]1CCCO1 ZINC001153675203 779844154 /nfs/dbraw/zinc/84/41/54/779844154.db2.gz ZWPVEDKAWPNCKT-LBPRGKRZSA-N 1 0 297.355 -1.363 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cn(C)nn1 ZINC001153762223 779844813 /nfs/dbraw/zinc/84/48/13/779844813.db2.gz WOYUUPAYFLVSQU-UHFFFAOYSA-N 1 0 292.343 -1.797 20 30 CAEDRO CCn1nc(C)c(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001153752821 779844954 /nfs/dbraw/zinc/84/49/54/779844954.db2.gz LRQUEFFRHDMUQL-UHFFFAOYSA-N 1 0 293.331 -1.434 20 30 CAEDRO CCc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1C ZINC001153726303 779845530 /nfs/dbraw/zinc/84/55/30/779845530.db2.gz CJBCETOUIFIMMJ-UHFFFAOYSA-N 1 0 292.343 -1.058 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153790050 779846292 /nfs/dbraw/zinc/84/62/92/779846292.db2.gz LULXCCJEKGZJFU-LLVKDONJSA-N 1 0 296.371 -1.411 20 30 CAEDRO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153789680 779846974 /nfs/dbraw/zinc/84/69/74/779846974.db2.gz FDXFOXYUYIESHU-JTQLQIEISA-N 1 0 297.359 -1.520 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153790052 779847171 /nfs/dbraw/zinc/84/71/71/779847171.db2.gz LULXCCJEKGZJFU-NSHDSACASA-N 1 0 296.371 -1.411 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)N1CCOCC1 ZINC001153840439 779848626 /nfs/dbraw/zinc/84/86/26/779848626.db2.gz DTHBHDSIEOGZMT-NSHDSACASA-N 1 0 297.359 -1.947 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886989 779849164 /nfs/dbraw/zinc/84/91/64/779849164.db2.gz MPKHDOFOIHHQJG-SECBINFHSA-N 1 0 251.286 -1.232 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153883046 779849998 /nfs/dbraw/zinc/84/99/98/779849998.db2.gz UPWOVLZGVXFMLR-SNVBAGLBSA-N 1 0 283.328 -1.052 20 30 CAEDRO CC(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001154199595 779854861 /nfs/dbraw/zinc/85/48/61/779854861.db2.gz QWVPNTFLCVFFRC-UHFFFAOYSA-N 1 0 269.305 -2.142 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(C)=O ZINC001154203978 779854870 /nfs/dbraw/zinc/85/48/70/779854870.db2.gz DSGCQURHEZGGAT-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO CCOCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001154336773 779856214 /nfs/dbraw/zinc/85/62/14/779856214.db2.gz HLQIPMUCLHVEET-UHFFFAOYSA-N 1 0 256.306 -1.241 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C1=COCCO1 ZINC001154360671 779856246 /nfs/dbraw/zinc/85/62/46/779856246.db2.gz BIAWHUCRBIHRFA-UHFFFAOYSA-N 1 0 282.300 -1.390 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001154370068 779856319 /nfs/dbraw/zinc/85/63/19/779856319.db2.gz OPUJJFWSKBQDGD-SECBINFHSA-N 1 0 283.332 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(C)=O ZINC001154370833 779856429 /nfs/dbraw/zinc/85/64/29/779856429.db2.gz XRTWUBPMDRDJQR-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C1=COCCO1 ZINC001154362261 779856607 /nfs/dbraw/zinc/85/66/07/779856607.db2.gz QLSIUOHDLDWTQC-UHFFFAOYSA-N 1 0 281.312 -1.280 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCO1 ZINC001154407692 779857611 /nfs/dbraw/zinc/85/76/11/779857611.db2.gz XYGMYERVQDQHBU-JTQLQIEISA-N 1 0 268.317 -1.099 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(C)=O ZINC001154382676 779857769 /nfs/dbraw/zinc/85/77/69/779857769.db2.gz PRCMUVIIQVXKLN-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CNC(N)=O ZINC001154457826 779858626 /nfs/dbraw/zinc/85/86/26/779858626.db2.gz OZEQFCQPSLUKHB-UHFFFAOYSA-N 1 0 271.321 -1.947 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CNC(N)=O ZINC001154457809 779858845 /nfs/dbraw/zinc/85/88/45/779858845.db2.gz OMTYZVMOHJERPI-UHFFFAOYSA-N 1 0 256.306 -1.600 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154468197 779860169 /nfs/dbraw/zinc/86/01/69/779860169.db2.gz YRHLRRKLFBLOGI-VIFPVBQESA-N 1 0 285.348 -1.559 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CN1CCCC1=O ZINC001154499357 779860588 /nfs/dbraw/zinc/86/05/88/779860588.db2.gz LZAFOPLZKOOMPR-UHFFFAOYSA-N 1 0 294.355 -1.546 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154506923 779860958 /nfs/dbraw/zinc/86/09/58/779860958.db2.gz WMGZQEUUNYUCRQ-SNVBAGLBSA-N 1 0 295.347 -1.540 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154502646 779861098 /nfs/dbraw/zinc/86/10/98/779861098.db2.gz IYFRQDIXIXWEJP-UHFFFAOYSA-N 1 0 280.292 -2.591 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154503040 779861677 /nfs/dbraw/zinc/86/16/77/779861677.db2.gz NUYFKLJMPSBTQE-UHFFFAOYSA-N 1 0 279.304 -2.482 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cn1cccn1 ZINC001154599423 779863713 /nfs/dbraw/zinc/86/37/13/779863713.db2.gz BFJHGAVZHYPWRA-UHFFFAOYSA-N 1 0 278.316 -1.381 20 30 CAEDRO CC(=O)N(C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001154819639 779864583 /nfs/dbraw/zinc/86/45/83/779864583.db2.gz OAQXVBWVQUVCES-UHFFFAOYSA-N 1 0 283.332 -1.800 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCO1 ZINC001154872407 779866020 /nfs/dbraw/zinc/86/60/20/779866020.db2.gz SYMPBUSQJMGZLX-NSHDSACASA-N 1 0 285.344 -1.200 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1COCCO1 ZINC001154886550 779867011 /nfs/dbraw/zinc/86/70/11/779867011.db2.gz OXGKTVOMYSLUBD-RYUDHWBXSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COCCO1 ZINC001154886551 779867756 /nfs/dbraw/zinc/86/77/56/779867756.db2.gz OXGKTVOMYSLUBD-VXGBXAGGSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn[nH]c1 ZINC001155016044 779868297 /nfs/dbraw/zinc/86/82/97/779868297.db2.gz FIVBDGSPWIVVKD-UHFFFAOYSA-N 1 0 263.301 -1.131 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)C1CC1 ZINC001155029472 779868828 /nfs/dbraw/zinc/86/88/28/779868828.db2.gz IWAIQRTUEYHMCI-UHFFFAOYSA-N 1 0 296.371 -1.089 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CS(C)(=O)=O ZINC001155301840 779871097 /nfs/dbraw/zinc/87/10/97/779871097.db2.gz NTBHNXGPARFJLY-UHFFFAOYSA-N 1 0 291.373 -1.571 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)OC ZINC001155236414 779871268 /nfs/dbraw/zinc/87/12/68/779871268.db2.gz RSZJIUOAPLXTHZ-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCOC1 ZINC001155440683 779872527 /nfs/dbraw/zinc/87/25/27/779872527.db2.gz UZARPESOGOYTHT-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCOC1 ZINC001155440682 779872640 /nfs/dbraw/zinc/87/26/40/779872640.db2.gz UZARPESOGOYTHT-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001155614724 779874412 /nfs/dbraw/zinc/87/44/12/779874412.db2.gz QJPXVJPWLDIYMV-GHMZBOCLSA-N 1 0 295.339 -1.359 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001155725439 779874806 /nfs/dbraw/zinc/87/48/06/779874806.db2.gz RYBACUMNLAJNAG-UHFFFAOYSA-N 1 0 283.332 -1.093 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155725451 779874909 /nfs/dbraw/zinc/87/49/09/779874909.db2.gz SCZQJRLYUCLRBR-UHFFFAOYSA-N 1 0 268.317 -1.075 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155654542 779875083 /nfs/dbraw/zinc/87/50/83/779875083.db2.gz ROTYZNMDNJJYMW-PWSUYJOCSA-N 1 0 296.371 -1.174 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001155712815 779875473 /nfs/dbraw/zinc/87/54/73/779875473.db2.gz VBJPOSKIPWOMEM-UHFFFAOYSA-N 1 0 293.389 -1.166 20 30 CAEDRO C=CCOCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001155732044 779876217 /nfs/dbraw/zinc/87/62/17/779876217.db2.gz RTDOKVKVQUJDSD-UHFFFAOYSA-N 1 0 286.332 -1.260 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155827483 779877084 /nfs/dbraw/zinc/87/70/84/779877084.db2.gz BTDYKDKBCCMEOU-VIFPVBQESA-N 1 0 251.290 -1.118 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155736547 779876621 /nfs/dbraw/zinc/87/66/21/779876621.db2.gz VZDCDPOUJUAGRC-SECBINFHSA-N 1 0 281.316 -1.999 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155752573 779876710 /nfs/dbraw/zinc/87/67/10/779876710.db2.gz CAXQFPVGXJBNSY-WDEREUQCSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)CC ZINC001155796809 779877112 /nfs/dbraw/zinc/87/71/12/779877112.db2.gz ZJKGIBXEMFNKHN-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C#N ZINC001155835562 779877293 /nfs/dbraw/zinc/87/72/93/779877293.db2.gz BEHWQBSRCFMIDE-QMMMGPOBSA-N 1 0 269.305 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C#N ZINC001155837461 779877299 /nfs/dbraw/zinc/87/72/99/779877299.db2.gz ZZSHFPOGYOPGEH-JTQLQIEISA-N 1 0 250.302 -1.009 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001155855069 779877355 /nfs/dbraw/zinc/87/73/55/779877355.db2.gz SJWWEONDUHZHOV-SFYZADRCSA-N 1 0 269.305 -1.175 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001155849492 779877929 /nfs/dbraw/zinc/87/79/29/779877929.db2.gz ZDWOHTYGYMKIJW-SECBINFHSA-N 1 0 276.362 -1.209 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001155830052 779877938 /nfs/dbraw/zinc/87/79/38/779877938.db2.gz ZVUOBLLCLWHEOT-QMMMGPOBSA-N 1 0 251.294 -1.034 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)C#N ZINC001155837462 779878004 /nfs/dbraw/zinc/87/80/04/779878004.db2.gz ZZSHFPOGYOPGEH-SNVBAGLBSA-N 1 0 250.302 -1.009 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155837205 779878072 /nfs/dbraw/zinc/87/80/72/779878072.db2.gz WTNDUEVDEMTBSG-SSDOTTSWSA-N 1 0 255.278 -1.563 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001155849493 779878101 /nfs/dbraw/zinc/87/81/01/779878101.db2.gz ZDWOHTYGYMKIJW-VIFPVBQESA-N 1 0 276.362 -1.209 20 30 CAEDRO COCCOCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155860766 779878837 /nfs/dbraw/zinc/87/88/37/779878837.db2.gz UZDXBYIKPLAPRJ-UHFFFAOYSA-N 1 0 286.332 -1.615 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1ccon1 ZINC001156001301 779880047 /nfs/dbraw/zinc/88/00/47/779880047.db2.gz MRVCTYWWZCBXPC-UHFFFAOYSA-N 1 0 279.300 -1.047 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC(N)=O ZINC001156030238 779881536 /nfs/dbraw/zinc/88/15/36/779881536.db2.gz YITXTKGYXXQFRY-SECBINFHSA-N 1 0 268.317 -1.904 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC(N)=O ZINC001156028771 779881549 /nfs/dbraw/zinc/88/15/49/779881549.db2.gz DTZVSJMFJJWNDY-VIFPVBQESA-N 1 0 270.333 -1.352 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001156126155 779882375 /nfs/dbraw/zinc/88/23/75/779882375.db2.gz SDJDEFROMFMCCS-LBPRGKRZSA-N 1 0 296.371 -1.838 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001156146169 779882423 /nfs/dbraw/zinc/88/24/23/779882423.db2.gz UYXDIYDYNJOSMV-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO CN1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001156144562 779882466 /nfs/dbraw/zinc/88/24/66/779882466.db2.gz FFBRXYXHRZGPFQ-NSHDSACASA-N 1 0 297.359 -1.947 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cc[nH]n1 ZINC001156062028 779883502 /nfs/dbraw/zinc/88/35/02/779883502.db2.gz JNMNOLNRUPALML-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001156516394 779886641 /nfs/dbraw/zinc/88/66/41/779886641.db2.gz FGECDGQHGZZNRX-NSHDSACASA-N 1 0 294.355 -1.642 20 30 CAEDRO Cn1cnc(C(=O)NCCC[NH2+]CC(=O)NCC#N)c1 ZINC001156557512 779887160 /nfs/dbraw/zinc/88/71/60/779887160.db2.gz GOFQXWSOTRMPSU-UHFFFAOYSA-N 1 0 278.316 -1.231 20 30 CAEDRO C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001156790973 779889598 /nfs/dbraw/zinc/88/95/98/779889598.db2.gz LKEOVIBBFITMQV-JTQLQIEISA-N 1 0 293.331 -1.425 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)n1cncn1 ZINC001156792124 779889693 /nfs/dbraw/zinc/88/96/93/779889693.db2.gz UXPWHJFYHSMVOX-NSHDSACASA-N 1 0 292.343 -1.316 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCCN1C ZINC001156798804 779889873 /nfs/dbraw/zinc/88/98/73/779889873.db2.gz FARKMDZDPJQRIX-LBPRGKRZSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001156852675 779890335 /nfs/dbraw/zinc/89/03/35/779890335.db2.gz KCDAIMZSAISDEZ-UHFFFAOYSA-N 1 0 297.315 -2.583 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CCOCCO ZINC001156847886 779890482 /nfs/dbraw/zinc/89/04/82/779890482.db2.gz JBYRYVBSTIWOOA-UHFFFAOYSA-N 1 0 285.344 -1.769 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001156857655 779890682 /nfs/dbraw/zinc/89/06/82/779890682.db2.gz ZTYCTZRFQMYUAI-UHFFFAOYSA-N 1 0 292.343 -1.450 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)NC ZINC001156848081 779890756 /nfs/dbraw/zinc/89/07/56/779890756.db2.gz QLMCCYHBKGPTLB-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001156847652 779890763 /nfs/dbraw/zinc/89/07/63/779890763.db2.gz CYCOFZHTSKEHIT-VIFPVBQESA-N 1 0 268.317 -1.904 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CCCO ZINC001156853006 779890878 /nfs/dbraw/zinc/89/08/78/779890878.db2.gz UMSRRSMLPGZQCF-UHFFFAOYSA-N 1 0 255.318 -1.396 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CCOC ZINC001156847795 779890904 /nfs/dbraw/zinc/89/09/04/779890904.db2.gz HOTZUJXWPMKVMN-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001156853104 779890987 /nfs/dbraw/zinc/89/09/87/779890987.db2.gz YURQCBJYBZZBAO-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001156852776 779890992 /nfs/dbraw/zinc/89/09/92/779890992.db2.gz NKNNPBKBFOJZTJ-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001156848368 779891019 /nfs/dbraw/zinc/89/10/19/779891019.db2.gz ZSUODAJLZMCCDC-NSHDSACASA-N 1 0 294.355 -1.500 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]C[C@H](C)O ZINC001156848068 779891054 /nfs/dbraw/zinc/89/10/54/779891054.db2.gz PMODGRSFHKYPEM-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CN1CN=NC1=O ZINC001156879511 779891356 /nfs/dbraw/zinc/89/13/56/779891356.db2.gz LXZMJQFWYUQPLM-UHFFFAOYSA-N 1 0 295.303 -2.281 20 30 CAEDRO Cn1ncc(C(=O)NCCC[NH2+]CC(=O)NCC#N)c1N ZINC001156936608 779891715 /nfs/dbraw/zinc/89/17/15/779891715.db2.gz MERSRDRZBHSFNS-UHFFFAOYSA-N 1 0 293.331 -1.648 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156967374 779892561 /nfs/dbraw/zinc/89/25/61/779892561.db2.gz RRZFJZBGYGGFOR-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cncnc1 ZINC001156981833 779893223 /nfs/dbraw/zinc/89/32/23/779893223.db2.gz PAABOENNEKFSBH-UHFFFAOYSA-N 1 0 276.300 -1.174 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157044044 779894115 /nfs/dbraw/zinc/89/41/15/779894115.db2.gz DGBAYNMDHBEXRG-VIFPVBQESA-N 1 0 283.332 -2.112 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC(=O)NC ZINC001157011513 779894144 /nfs/dbraw/zinc/89/41/44/779894144.db2.gz AWGZTTHFUNBWEJ-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157040392 779894319 /nfs/dbraw/zinc/89/43/19/779894319.db2.gz QMWIPGLISKPZIZ-VIFPVBQESA-N 1 0 285.348 -1.559 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157054733 779894701 /nfs/dbraw/zinc/89/47/01/779894701.db2.gz WDCVTOJOVVIJLR-UWVGGRQHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157060958 779895442 /nfs/dbraw/zinc/89/54/42/779895442.db2.gz SYYDUYXLNZQNER-UWVGGRQHSA-N 1 0 299.375 -1.170 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157109051 779895804 /nfs/dbraw/zinc/89/58/04/779895804.db2.gz HWCFBOPQXRENMF-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157117025 779895935 /nfs/dbraw/zinc/89/59/35/779895935.db2.gz ZSRZLLAFTHUYMK-UHFFFAOYSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100692 779896363 /nfs/dbraw/zinc/89/63/63/779896363.db2.gz MGMLSHSPVGPTTI-UHFFFAOYSA-N 1 0 292.343 -1.487 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C1CN(C(C)=O)C1 ZINC001157116837 779896481 /nfs/dbraw/zinc/89/64/81/779896481.db2.gz QRALZPFCAIWJPI-UHFFFAOYSA-N 1 0 296.371 -1.137 20 30 CAEDRO CC(=O)N1CC(C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001157116485 779896606 /nfs/dbraw/zinc/89/66/06/779896606.db2.gz GMVUNHGQOOYVGU-UHFFFAOYSA-N 1 0 295.343 -1.800 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001157189737 779898406 /nfs/dbraw/zinc/89/84/06/779898406.db2.gz PPKPSQMQGVZZRZ-GFCCVEGCSA-N 1 0 286.332 -1.396 20 30 CAEDRO CC(C)(O)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157292273 779898894 /nfs/dbraw/zinc/89/88/94/779898894.db2.gz ZWIYAXAZWUPCLE-UHFFFAOYSA-N 1 0 270.333 -1.117 20 30 CAEDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC#N ZINC001157323646 779900000 /nfs/dbraw/zinc/90/00/00/779900000.db2.gz MIWHPRJJEXAVCW-IUCAKERBSA-N 1 0 255.322 -1.413 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157370841 779901625 /nfs/dbraw/zinc/90/16/25/779901625.db2.gz LZCZJXITGQRJCH-NXEZZACHSA-N 1 0 298.343 -1.119 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157360988 779901647 /nfs/dbraw/zinc/90/16/47/779901647.db2.gz VTCZEOKKDPIQBQ-JTQLQIEISA-N 1 0 269.301 -1.160 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157371685 779901691 /nfs/dbraw/zinc/90/16/91/779901691.db2.gz UOBCEVVHUIIICT-VHSXEESVSA-N 1 0 296.327 -1.671 20 30 CAEDRO CC(C)[C@@H](O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157403158 779903402 /nfs/dbraw/zinc/90/34/02/779903402.db2.gz XSDNMMTVMFNTKZ-LLVKDONJSA-N 1 0 270.333 -1.261 20 30 CAEDRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)o1 ZINC001157480049 779903999 /nfs/dbraw/zinc/90/39/99/779903999.db2.gz KXJBXFFDZMEZFE-UHFFFAOYSA-N 1 0 294.315 -1.344 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157454890 779904499 /nfs/dbraw/zinc/90/44/99/779904499.db2.gz XEUQWLKETYBTFN-UHFFFAOYSA-N 1 0 280.332 -1.173 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn(C)nn1 ZINC001157474723 779904754 /nfs/dbraw/zinc/90/47/54/779904754.db2.gz XPYSTSRVAMYMTH-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO CNC(=O)NCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157501554 779905246 /nfs/dbraw/zinc/90/52/46/779905246.db2.gz CRUHOOZIUOPIMA-UHFFFAOYSA-N 1 0 298.347 -1.959 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ncn(C)n1 ZINC001157493174 779905691 /nfs/dbraw/zinc/90/56/91/779905691.db2.gz CCVNBENWCYTHDG-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO CC(C)C#CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001157632819 779908973 /nfs/dbraw/zinc/90/89/73/779908973.db2.gz LMRRUKWHDUYFCL-UHFFFAOYSA-N 1 0 268.317 -1.063 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ncc[nH]1 ZINC001157628423 779909434 /nfs/dbraw/zinc/90/94/34/779909434.db2.gz NMIZPJAVUNHKCH-UHFFFAOYSA-N 1 0 264.289 -1.241 20 30 CAEDRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)C#CC1CC1 ZINC001157682441 779910271 /nfs/dbraw/zinc/91/02/71/779910271.db2.gz HBKOWTBSTVRDRJ-UHFFFAOYSA-N 1 0 266.301 -1.309 20 30 CAEDRO CC1(C#N)CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001157694545 779910392 /nfs/dbraw/zinc/91/03/92/779910392.db2.gz UMAPLMQXXFMARV-SECBINFHSA-N 1 0 250.302 -1.311 20 30 CAEDRO CC1(C#N)CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001157694546 779910627 /nfs/dbraw/zinc/91/06/27/779910627.db2.gz UMAPLMQXXFMARV-VIFPVBQESA-N 1 0 250.302 -1.311 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766829 779912162 /nfs/dbraw/zinc/91/21/62/779912162.db2.gz AISSRFMTMNSZFG-NXEZZACHSA-N 1 0 282.300 -1.503 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001157846629 779913945 /nfs/dbraw/zinc/91/39/45/779913945.db2.gz WMBFWKMSSBSQIH-SNVBAGLBSA-N 1 0 255.318 -1.004 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NC ZINC001157863622 779914950 /nfs/dbraw/zinc/91/49/50/779914950.db2.gz MPNFUIXGCQICGY-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001157869561 779914958 /nfs/dbraw/zinc/91/49/58/779914958.db2.gz OZSJNPZKTXXCFA-NXEZZACHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001157869784 779915070 /nfs/dbraw/zinc/91/50/70/779915070.db2.gz RPKSCNRPHVPMIA-JTQLQIEISA-N 1 0 295.343 -1.257 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001157869564 779915164 /nfs/dbraw/zinc/91/51/64/779915164.db2.gz OZSJNPZKTXXCFA-ZJUUUORDSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001157869969 779915451 /nfs/dbraw/zinc/91/54/51/779915451.db2.gz VGEIYOZXVLAPFC-SECBINFHSA-N 1 0 284.316 -1.685 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001157880547 779916012 /nfs/dbraw/zinc/91/60/12/779916012.db2.gz QQRHBZJMAYDJKB-ZJUUUORDSA-N 1 0 298.343 -1.296 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001157880545 779916612 /nfs/dbraw/zinc/91/66/12/779916612.db2.gz QQRHBZJMAYDJKB-UWVGGRQHSA-N 1 0 298.343 -1.296 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157932261 779917272 /nfs/dbraw/zinc/91/72/72/779917272.db2.gz LJPRZQDYTSNHCJ-GFCCVEGCSA-N 1 0 297.355 -1.363 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CO[C@H]1CCOC1 ZINC001157923826 779917480 /nfs/dbraw/zinc/91/74/80/779917480.db2.gz CPVVBDBQAAIITQ-NSHDSACASA-N 1 0 298.343 -1.472 20 30 CAEDRO C[C@@H](CC(=O)NCCC[NH2+]CC(=O)NCC#N)NC(N)=O ZINC001157938880 779918498 /nfs/dbraw/zinc/91/84/98/779918498.db2.gz GDVNIEDBWFHVIP-VIFPVBQESA-N 1 0 298.347 -1.831 20 30 CAEDRO C[C@H](CC(=O)NCCC[NH2+]CC(=O)NCC#N)NC(N)=O ZINC001157938879 779918573 /nfs/dbraw/zinc/91/85/73/779918573.db2.gz GDVNIEDBWFHVIP-SECBINFHSA-N 1 0 298.347 -1.831 20 30 CAEDRO N#C[C@@H]1CNCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001157981639 779921971 /nfs/dbraw/zinc/92/19/71/779921971.db2.gz FHBYYHZMEAHLHB-LLVKDONJSA-N 1 0 251.334 -1.348 20 30 CAEDRO N#C[C@H]1CNCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157981366 779922034 /nfs/dbraw/zinc/92/20/34/779922034.db2.gz CANAKBWXYABIRP-UWVGGRQHSA-N 1 0 265.317 -2.359 20 30 CAEDRO N#C[C@H]1CNCCN1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157982850 779922229 /nfs/dbraw/zinc/92/22/29/779922229.db2.gz SXFBERQYMYOZTI-QWRGUYRKSA-N 1 0 279.344 -1.350 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157981608 779922245 /nfs/dbraw/zinc/92/22/45/779922245.db2.gz DDRRPORNRUXTSM-IRWWLHRVSA-N 1 0 258.347 -1.594 20 30 CAEDRO Cn1cncc1C[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157982067 779922297 /nfs/dbraw/zinc/92/22/97/779922297.db2.gz IHNAICRCMHIDPT-QWRGUYRKSA-N 1 0 262.317 -1.386 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163241 779928532 /nfs/dbraw/zinc/92/85/32/779928532.db2.gz LKPFTFDEQQFIIY-UHFFFAOYSA-N 1 0 281.320 -1.929 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cn1ncnn1 ZINC001158163725 779929694 /nfs/dbraw/zinc/92/96/94/779929694.db2.gz XSQSEOVACQTHAH-UHFFFAOYSA-N 1 0 280.292 -2.591 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158362458 779933353 /nfs/dbraw/zinc/93/33/53/779933353.db2.gz FCKUNKHXKDSXLC-UHFFFAOYSA-N 1 0 264.289 -1.894 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)NC(=O)CC ZINC001158638292 779937822 /nfs/dbraw/zinc/93/78/22/779937822.db2.gz PUBMVWYYTUXWJN-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159190031 779944510 /nfs/dbraw/zinc/94/45/10/779944510.db2.gz QYBYQCKTUATPCQ-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322441 779945524 /nfs/dbraw/zinc/94/55/24/779945524.db2.gz NBEBFHFORMWFIC-UHFFFAOYSA-N 1 0 292.339 -1.334 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159335080 779947555 /nfs/dbraw/zinc/94/75/55/779947555.db2.gz QYRLJECXVZAYGE-UHFFFAOYSA-N 1 0 285.348 -1.687 20 30 CAEDRO CNC(=O)NCC(=O)NCCC[NH2+]CC#CCOC ZINC001159341245 779947641 /nfs/dbraw/zinc/94/76/41/779947641.db2.gz OATZTKISZSQQSH-UHFFFAOYSA-N 1 0 270.333 -1.339 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCNC1=O ZINC001159793449 779951437 /nfs/dbraw/zinc/95/14/37/779951437.db2.gz RRNAVEDZIUZZHU-LLVKDONJSA-N 1 0 296.371 -1.089 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCNC1=O ZINC001159800028 779951633 /nfs/dbraw/zinc/95/16/33/779951633.db2.gz JUHUHVKZJLREQW-JTQLQIEISA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CCOCC1=O ZINC001160015714 779954194 /nfs/dbraw/zinc/95/41/94/779954194.db2.gz LFXRGYKGKCSKNK-UHFFFAOYSA-N 1 0 253.302 -1.426 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1CCOCC1=O ZINC001160020091 779954779 /nfs/dbraw/zinc/95/47/79/779954779.db2.gz GKKIVXSEEQURDD-UHFFFAOYSA-N 1 0 267.329 -1.036 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160172220 779955474 /nfs/dbraw/zinc/95/54/74/779955474.db2.gz LLMAWKXHVAITQH-VIFPVBQESA-N 1 0 266.301 -1.296 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160172194 779956029 /nfs/dbraw/zinc/95/60/29/779956029.db2.gz KQXOAFLDCJYFOI-VIFPVBQESA-N 1 0 266.301 -1.296 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001160173240 779956250 /nfs/dbraw/zinc/95/62/50/779956250.db2.gz JHERPNXZTMRROK-KBPBESRZSA-N 1 0 292.339 -1.714 20 30 CAEDRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160403159 779957913 /nfs/dbraw/zinc/95/79/13/779957913.db2.gz UAUNOHAANVRRDR-UHFFFAOYSA-N 1 0 283.332 -1.766 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCNC1=O ZINC001160433404 779958843 /nfs/dbraw/zinc/95/88/43/779958843.db2.gz LWVUUNWFYDWHTF-NSHDSACASA-N 1 0 296.371 -1.089 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001160484106 779962351 /nfs/dbraw/zinc/96/23/51/779962351.db2.gz QWIKQJCOPSAZPG-MNOVXSKESA-N 1 0 252.318 -1.233 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160484140 779962451 /nfs/dbraw/zinc/96/24/51/779962451.db2.gz YTZHQZBKEYWGDU-GFCCVEGCSA-N 1 0 293.371 -1.625 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001160482266 779962686 /nfs/dbraw/zinc/96/26/86/779962686.db2.gz CXSLFSNXFUWORM-RWMBFGLXSA-N 1 0 277.372 -1.006 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001160482707 779962857 /nfs/dbraw/zinc/96/28/57/779962857.db2.gz KMRPLKMHDKUNIT-JSGCOSHPSA-N 1 0 277.372 -1.004 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160482709 779963075 /nfs/dbraw/zinc/96/30/75/779963075.db2.gz KMRPLKMHDKUNIT-OCCSQVGLSA-N 1 0 277.372 -1.004 20 30 CAEDRO Cc1[nH]c(=O)[nH]c1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160516009 779964169 /nfs/dbraw/zinc/96/41/69/779964169.db2.gz GWBIRSCXWOUPQG-UHFFFAOYSA-N 1 0 294.315 -1.227 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(CC(=O)OC)CC1 ZINC001160531495 779965764 /nfs/dbraw/zinc/96/57/64/779965764.db2.gz QVULBBGULGDSBQ-LBPRGKRZSA-N 1 0 253.302 -1.346 20 30 CAEDRO CN(CC#N)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160584083 779967434 /nfs/dbraw/zinc/96/74/34/779967434.db2.gz NHVZCIZBKPBOGS-UHFFFAOYSA-N 1 0 298.303 -3.724 20 30 CAEDRO N#Cc1nccnc1N1CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001160635834 779969378 /nfs/dbraw/zinc/96/93/78/779969378.db2.gz DNTFGYXOMLREPG-JTQLQIEISA-N 1 0 289.343 -1.327 20 30 CAEDRO N#Cc1nccnc1N1CCN(C(=O)[C@@H](N)C[NH3+])CC1 ZINC001160635825 779969630 /nfs/dbraw/zinc/96/96/30/779969630.db2.gz DMYCXLCLBWFYBQ-VIFPVBQESA-N 1 0 275.316 -1.717 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160635879 779969794 /nfs/dbraw/zinc/96/97/94/779969794.db2.gz FEWCPBTZTDFGIX-LBPRGKRZSA-N 1 0 250.302 -2.020 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cnc[nH]c1=O ZINC001160640372 779970825 /nfs/dbraw/zinc/97/08/25/779970825.db2.gz ZVMPPTSRZJNVJR-UHFFFAOYSA-N 1 0 292.299 -1.469 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@H](C#N)C1 ZINC001160641179 779971963 /nfs/dbraw/zinc/97/19/63/779971963.db2.gz WVILEIVDOSJRDS-JTQLQIEISA-N 1 0 288.373 -1.031 20 30 CAEDRO Cn1cncc1C[C@H]([NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160650885 779973416 /nfs/dbraw/zinc/97/34/16/779973416.db2.gz HTGPULCCTRUDIH-KOLCDFICSA-N 1 0 262.317 -1.386 20 30 CAEDRO N#C[C@@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CCN1 ZINC001160652780 779973827 /nfs/dbraw/zinc/97/38/27/779973827.db2.gz LNZCOODXXKAMPJ-MNOVXSKESA-N 1 0 279.344 -1.350 20 30 CAEDRO N#C[C@@H]1CN(C(=O)CNC2CC[NH2+]CC2)CCN1 ZINC001160651697 779974234 /nfs/dbraw/zinc/97/42/34/779974234.db2.gz VQQYCTPXIXAROS-LLVKDONJSA-N 1 0 251.334 -1.348 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CCN1 ZINC001160652983 779974934 /nfs/dbraw/zinc/97/49/34/779974934.db2.gz SXRRXFFJFLNEOY-ZJUUUORDSA-N 1 0 265.317 -1.740 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790976 779983061 /nfs/dbraw/zinc/98/30/61/779983061.db2.gz VBINFLMUHHOLAD-SKDRFNHKSA-N 1 0 251.286 -1.593 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001160879229 779984765 /nfs/dbraw/zinc/98/47/65/779984765.db2.gz QCBORLPQLOKFAL-CIUDSAMLSA-N 1 0 297.315 -2.555 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](C#N)C1 ZINC001160879691 779984821 /nfs/dbraw/zinc/98/48/21/779984821.db2.gz RZRSUOVBSRVCFL-NMIRZEMHSA-N 1 0 259.331 -1.167 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001160879231 779985123 /nfs/dbraw/zinc/98/51/23/779985123.db2.gz QCBORLPQLOKFAL-YIZRAAEISA-N 1 0 297.315 -2.555 20 30 CAEDRO N#C[C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCO1 ZINC001160877768 779985152 /nfs/dbraw/zinc/98/51/52/779985152.db2.gz CAKQNQLGTVSAGG-VHSXEESVSA-N 1 0 266.301 -1.932 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CCO1 ZINC001160880250 779985330 /nfs/dbraw/zinc/98/53/30/779985330.db2.gz VYYWNIHUTCKFAG-UMNHJUIQSA-N 1 0 250.302 -1.311 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](C#N)C1 ZINC001160879689 779985456 /nfs/dbraw/zinc/98/54/56/779985456.db2.gz RZRSUOVBSRVCFL-KSRUKNBBSA-N 1 0 259.331 -1.167 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C#N ZINC001160933157 779987489 /nfs/dbraw/zinc/98/74/89/779987489.db2.gz IFDIQENTXBLMFW-NMIRZEMHSA-N 1 0 259.331 -1.167 20 30 CAEDRO N#C[C@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001160933424 779987856 /nfs/dbraw/zinc/98/78/56/779987856.db2.gz KNXSJKOSZIRUGW-UWVGGRQHSA-N 1 0 266.301 -1.313 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001160933938 779987865 /nfs/dbraw/zinc/98/78/65/779987865.db2.gz QYMJWLZDGUWUTL-RKDXNWHRSA-N 1 0 269.305 -1.487 20 30 CAEDRO C=C(C)C[NH2+]CCCNC(=O)CNC(=O)CNC(C)=O ZINC001161168453 780000030 /nfs/dbraw/zinc/00/00/30/780000030.db2.gz ZXRLPQBFOUHVJF-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CNC(=O)CNC(C)=O ZINC001161167806 780000455 /nfs/dbraw/zinc/00/04/55/780000455.db2.gz GGOZUXJMIJHAJD-UHFFFAOYSA-N 1 0 270.333 -1.479 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(C)C[C@@H]1C(=O)OC ZINC001161236215 780004419 /nfs/dbraw/zinc/00/44/19/780004419.db2.gz BLTFEIUHQQAAOB-SKDRFNHKSA-N 1 0 253.302 -1.347 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247808 780005736 /nfs/dbraw/zinc/00/57/36/780005736.db2.gz KRPQEUIQUYGBGA-LBPRGKRZSA-N 1 0 260.301 -1.129 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001161408509 780012462 /nfs/dbraw/zinc/01/24/62/780012462.db2.gz XMIGSRKOMQDKLK-UHFFFAOYSA-N 1 0 280.372 -1.120 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161453702 780013394 /nfs/dbraw/zinc/01/33/94/780013394.db2.gz HPAXATJCUAJOHU-UHFFFAOYSA-N 1 0 265.317 -1.299 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161461528 780015398 /nfs/dbraw/zinc/01/53/98/780015398.db2.gz KLCOWYKWWYSDQG-UHFFFAOYSA-N 1 0 265.317 -1.299 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001161622338 780024028 /nfs/dbraw/zinc/02/40/28/780024028.db2.gz HOTBCWPZDGHJTH-NSHDSACASA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001161627637 780024238 /nfs/dbraw/zinc/02/42/38/780024238.db2.gz HQIXPATXHFQMGQ-LLVKDONJSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001161627638 780024429 /nfs/dbraw/zinc/02/44/29/780024429.db2.gz HQIXPATXHFQMGQ-NSHDSACASA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cn[nH]n1 ZINC001161710537 780025541 /nfs/dbraw/zinc/02/55/41/780025541.db2.gz MAGURKPMIOUPJI-SECBINFHSA-N 1 0 278.316 -1.348 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn[nH]n1 ZINC001161691813 780025678 /nfs/dbraw/zinc/02/56/78/780025678.db2.gz XOEYXLYLPNKJQP-UHFFFAOYSA-N 1 0 264.289 -1.736 20 30 CAEDRO Cn1cncc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161913743 780027734 /nfs/dbraw/zinc/02/77/34/780027734.db2.gz QAFQGJPOJABRRB-UHFFFAOYSA-N 1 0 278.316 -1.231 20 30 CAEDRO Cc1cncn1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001162627471 780053153 /nfs/dbraw/zinc/05/31/53/780053153.db2.gz IBMFZHKHLVLQSE-UHFFFAOYSA-N 1 0 292.343 -1.073 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001163078873 780054347 /nfs/dbraw/zinc/05/43/47/780054347.db2.gz AFXSIMZEBZOCDP-AWEZNQCLSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001163078874 780054778 /nfs/dbraw/zinc/05/47/78/780054778.db2.gz AFXSIMZEBZOCDP-CQSZACIVSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163290938 780057647 /nfs/dbraw/zinc/05/76/47/780057647.db2.gz VRTIQVFIDWHTDX-UHFFFAOYSA-N 1 0 276.362 -1.841 20 30 CAEDRO C=CCC[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163290124 780058307 /nfs/dbraw/zinc/05/83/07/780058307.db2.gz BIZGGZHIIANPAT-UHFFFAOYSA-N 1 0 278.378 -1.288 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1[nH]nnc1C ZINC001163745568 780060245 /nfs/dbraw/zinc/06/02/45/780060245.db2.gz YHSGAGGOCJHVEJ-SNVBAGLBSA-N 1 0 292.343 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1[nH]nnc1C ZINC001163740031 780061089 /nfs/dbraw/zinc/06/10/89/780061089.db2.gz JYURSBZOBNNFLF-UHFFFAOYSA-N 1 0 278.316 -1.428 20 30 CAEDRO Cc1nn[nH]c1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001163740070 780061266 /nfs/dbraw/zinc/06/12/66/780061266.db2.gz KLNWBZKXKBNEPR-UHFFFAOYSA-N 1 0 279.304 -1.538 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1CCNC(=O)C1 ZINC001163880177 780062390 /nfs/dbraw/zinc/06/23/90/780062390.db2.gz DQJSBUDCZNYBJT-UHFFFAOYSA-N 1 0 266.345 -1.463 20 30 CAEDRO C[C@@H](CC(N)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001163912853 780063295 /nfs/dbraw/zinc/06/32/95/780063295.db2.gz OVMPIGBOEYTPFH-VIFPVBQESA-N 1 0 283.332 -1.766 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)CC(N)=O ZINC001163905124 780063032 /nfs/dbraw/zinc/06/30/32/780063032.db2.gz MOPANCFIBDFITR-MNOVXSKESA-N 1 0 296.371 -1.268 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)CN1CCNC(=O)C1 ZINC001163881129 780063170 /nfs/dbraw/zinc/06/31/70/780063170.db2.gz ZDHKOCXPXHDXFO-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001163912825 780063268 /nfs/dbraw/zinc/06/32/68/780063268.db2.gz ODANXYUVUHMYMD-MNOVXSKESA-N 1 0 296.371 -1.104 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CC(N)=O)CC1 ZINC001163895385 780063377 /nfs/dbraw/zinc/06/33/77/780063377.db2.gz PNWPTJIAXMHCAY-UHFFFAOYSA-N 1 0 294.355 -1.513 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)CC(N)=O ZINC001163912538 780063621 /nfs/dbraw/zinc/06/36/21/780063621.db2.gz HWKMZWLRPSHJRN-JTQLQIEISA-N 1 0 284.360 -1.104 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163934857 780065334 /nfs/dbraw/zinc/06/53/34/780065334.db2.gz RXWJOFWERVDKNT-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(=O)n1C ZINC001163934693 780065346 /nfs/dbraw/zinc/06/53/46/780065346.db2.gz NNMFCZITRGJNMY-UHFFFAOYSA-N 1 0 293.327 -1.415 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163934953 780065406 /nfs/dbraw/zinc/06/54/06/780065406.db2.gz WBVRJUDHXGGQNV-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO CN1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)NC1=O ZINC001163939286 780065618 /nfs/dbraw/zinc/06/56/18/780065618.db2.gz IFAFKFPQAWDZDV-VIFPVBQESA-N 1 0 296.331 -2.254 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163934956 780066171 /nfs/dbraw/zinc/06/61/71/780066171.db2.gz WBVRJUDHXGGQNV-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001163940011 780066864 /nfs/dbraw/zinc/06/68/64/780066864.db2.gz VVBBGCRERQXBMJ-SNVBAGLBSA-N 1 0 297.359 -1.592 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163940010 780067140 /nfs/dbraw/zinc/06/71/40/780067140.db2.gz VVBBGCRERQXBMJ-JTQLQIEISA-N 1 0 297.359 -1.592 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001164139549 780067735 /nfs/dbraw/zinc/06/77/35/780067735.db2.gz CCQUJWQMODDDEW-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163944584 780067872 /nfs/dbraw/zinc/06/78/72/780067872.db2.gz ZDJPQXDBHLKGFO-SECBINFHSA-N 1 0 281.316 -2.142 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163944585 780068067 /nfs/dbraw/zinc/06/80/67/780068067.db2.gz ZDJPQXDBHLKGFO-VIFPVBQESA-N 1 0 281.316 -2.142 20 30 CAEDRO CN1C(=O)CC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001164132638 780068399 /nfs/dbraw/zinc/06/83/99/780068399.db2.gz AJSWUNUNOSGWMO-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164153720 780069082 /nfs/dbraw/zinc/06/90/82/780069082.db2.gz VZNYDUHQIMNMHW-UHFFFAOYSA-N 1 0 266.305 -1.431 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164148907 780069511 /nfs/dbraw/zinc/06/95/11/780069511.db2.gz YTFZMXFPWQSSGV-UHFFFAOYSA-N 1 0 281.320 -1.778 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001164269003 780070479 /nfs/dbraw/zinc/07/04/79/780070479.db2.gz YGIBOYPYLULDIZ-IAZYJMLFSA-N 1 0 280.328 -1.386 20 30 CAEDRO CN1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1=O ZINC001164289301 780072248 /nfs/dbraw/zinc/07/22/48/780072248.db2.gz NYPSPVSCVTWRNP-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cnoc1 ZINC001164459522 780074131 /nfs/dbraw/zinc/07/41/31/780074131.db2.gz VHKRJEAZSMMNDT-UHFFFAOYSA-N 1 0 279.300 -1.047 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(N)=O ZINC001165646095 780088003 /nfs/dbraw/zinc/08/80/03/780088003.db2.gz ZANNBFMHANKSQY-MRVPVSSYSA-N 1 0 256.306 -1.742 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@]1(F)CCOC1 ZINC001164559200 780074505 /nfs/dbraw/zinc/07/45/05/780074505.db2.gz ISIHFLIROXHLSS-ZDUSSCGKSA-N 1 0 285.319 -1.040 20 30 CAEDRO COc1nc(N2CCNC(=O)C23C[NH2+]C3)ncc1C#N ZINC001165298070 780077167 /nfs/dbraw/zinc/07/71/67/780077167.db2.gz QLENCPWAFSCNPN-UHFFFAOYSA-N 1 0 274.284 -1.365 20 30 CAEDRO N#Cc1ncc(N2CCNC(=O)C23C[NH2+]C3)nc1C#N ZINC001165301173 780078897 /nfs/dbraw/zinc/07/88/97/780078897.db2.gz RTKPXMSTFORIDS-UHFFFAOYSA-N 1 0 269.268 -1.502 20 30 CAEDRO Cc1cnc(N2CCNC(=O)C23C[NH2+]C3)c(C#N)n1 ZINC001165301777 780079768 /nfs/dbraw/zinc/07/97/68/780079768.db2.gz BTXQWSZXRWNWRR-UHFFFAOYSA-N 1 0 258.285 -1.065 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165466970 780080580 /nfs/dbraw/zinc/08/05/80/780080580.db2.gz KENMPBDDNFFRIW-MRVPVSSYSA-N 1 0 282.304 -2.597 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165466998 780080941 /nfs/dbraw/zinc/08/09/41/780080941.db2.gz KPAZYDRAFMDGOM-SNVBAGLBSA-N 1 0 268.317 -1.587 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165468818 780081481 /nfs/dbraw/zinc/08/14/81/780081481.db2.gz UUMGVMJHRSLLQM-VIFPVBQESA-N 1 0 283.332 -1.934 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165498084 780081804 /nfs/dbraw/zinc/08/18/04/780081804.db2.gz GLRYNKLGVAIKDT-UWVGGRQHSA-N 1 0 297.359 -1.546 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165498086 780082030 /nfs/dbraw/zinc/08/20/30/780082030.db2.gz GLRYNKLGVAIKDT-ZJUUUORDSA-N 1 0 297.359 -1.546 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165474628 780082060 /nfs/dbraw/zinc/08/20/60/780082060.db2.gz KQYJKVDZTIVDCW-JTQLQIEISA-N 1 0 270.333 -1.034 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165499677 780083086 /nfs/dbraw/zinc/08/30/86/780083086.db2.gz YGOGVMWHWRILOK-VHSXEESVSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165499669 780083359 /nfs/dbraw/zinc/08/33/59/780083359.db2.gz YGOGVMWHWRILOK-NXEZZACHSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CCCS(N)(=O)=O ZINC001165571004 780083616 /nfs/dbraw/zinc/08/36/16/780083616.db2.gz PVXXIEOFMVCSIO-UHFFFAOYSA-N 1 0 261.347 -1.216 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165499675 780083740 /nfs/dbraw/zinc/08/37/40/780083740.db2.gz YGOGVMWHWRILOK-UWVGGRQHSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165613459 780084388 /nfs/dbraw/zinc/08/43/88/780084388.db2.gz MZWLTGKOLWYOKY-SNVBAGLBSA-N 1 0 294.355 -1.514 20 30 CAEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)C(N)=O ZINC001165614402 780084742 /nfs/dbraw/zinc/08/47/42/780084742.db2.gz UCZOYWMVJVZVNW-UHFFFAOYSA-N 1 0 284.360 -1.008 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(N)=O ZINC001165613532 780085037 /nfs/dbraw/zinc/08/50/37/780085037.db2.gz NUPFWRYFOHDDJT-UHFFFAOYSA-N 1 0 285.304 -2.421 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C(N)=O)C1=O ZINC001165619134 780085812 /nfs/dbraw/zinc/08/58/12/780085812.db2.gz PQXOXBQWVSVDEM-SECBINFHSA-N 1 0 268.317 -1.646 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(N)=O ZINC001165645957 780087087 /nfs/dbraw/zinc/08/70/87/780087087.db2.gz USEGEZNHFIWOAN-MRVPVSSYSA-N 1 0 254.290 -2.295 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(N)=O ZINC001165645958 780087209 /nfs/dbraw/zinc/08/72/09/780087209.db2.gz USEGEZNHFIWOAN-QMMMGPOBSA-N 1 0 254.290 -2.295 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(N)=O ZINC001165646096 780088999 /nfs/dbraw/zinc/08/89/99/780088999.db2.gz ZANNBFMHANKSQY-QMMMGPOBSA-N 1 0 256.306 -1.742 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](COC)OC ZINC001166174610 780089555 /nfs/dbraw/zinc/08/95/55/780089555.db2.gz JRBFIXKHGAGCND-NEPJUHHUSA-N 1 0 299.371 -1.118 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](COC)OC ZINC001166174613 780089875 /nfs/dbraw/zinc/08/98/75/780089875.db2.gz JRBFIXKHGAGCND-VXGBXAGGSA-N 1 0 299.371 -1.118 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1n[nH]cc1F ZINC001166111384 780090014 /nfs/dbraw/zinc/09/00/14/780090014.db2.gz JWXPTTSWFDRRIU-UHFFFAOYSA-N 1 0 282.279 -1.102 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](COC)OC ZINC001166174612 780090088 /nfs/dbraw/zinc/09/00/88/780090088.db2.gz JRBFIXKHGAGCND-RYUDHWBXSA-N 1 0 299.371 -1.118 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](COC)OC ZINC001166151077 780090440 /nfs/dbraw/zinc/09/04/40/780090440.db2.gz OIRZZZHKNPYGII-LLVKDONJSA-N 1 0 285.344 -1.507 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166333368 780090874 /nfs/dbraw/zinc/09/08/74/780090874.db2.gz PSRMHSDWLRXPFN-UHFFFAOYSA-N 1 0 299.356 -1.210 20 30 CAEDRO C[C@@]1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCNC1=O ZINC001166552411 780090980 /nfs/dbraw/zinc/09/09/80/780090980.db2.gz JQUKNNLJSPNSKF-ZDUSSCGKSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001166333334 780091161 /nfs/dbraw/zinc/09/11/61/780091161.db2.gz NTDLKBLAAYXCJN-UHFFFAOYSA-N 1 0 299.356 -1.210 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@]1(C)CCNC1=O ZINC001166558615 780091239 /nfs/dbraw/zinc/09/12/39/780091239.db2.gz IKLOMQKJKDRITN-AWEZNQCLSA-N 1 0 294.355 -1.642 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166789342 780097453 /nfs/dbraw/zinc/09/74/53/780097453.db2.gz OKOCCVDUEWHRMC-MNOVXSKESA-N 1 0 267.329 -1.147 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166923177 780098422 /nfs/dbraw/zinc/09/84/22/780098422.db2.gz AHVNQWSYPKFJKB-UHFFFAOYSA-N 1 0 280.328 -1.903 20 30 CAEDRO Cc1ccn(CC(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001166904924 780098721 /nfs/dbraw/zinc/09/87/21/780098721.db2.gz CDHOBYWHRNFWRD-UHFFFAOYSA-N 1 0 292.343 -1.073 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166924137 780099025 /nfs/dbraw/zinc/09/90/25/780099025.db2.gz WWTXFIKKSNZLQA-UHFFFAOYSA-N 1 0 281.316 -2.012 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166951451 780099703 /nfs/dbraw/zinc/09/97/03/780099703.db2.gz FLEYGIFSPHHABI-JTQLQIEISA-N 1 0 294.355 -1.514 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1CCN(C(=O)CC(N)=O)CC1 ZINC001204844364 780103913 /nfs/dbraw/zinc/10/39/13/780103913.db2.gz RBLSIMFHWHIXAP-UHFFFAOYSA-N 1 0 295.343 -1.670 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206105532 780109761 /nfs/dbraw/zinc/10/97/61/780109761.db2.gz MDLZZYAEUIMEJL-JTQLQIEISA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)C(N)=O)CC1 ZINC001206105846 780109857 /nfs/dbraw/zinc/10/98/57/780109857.db2.gz RXRMYQMZCAAMIS-SNVBAGLBSA-N 1 0 296.371 -1.009 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206753188 780111706 /nfs/dbraw/zinc/11/17/06/780111706.db2.gz RGNULIMYAANBOE-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206733459 780111747 /nfs/dbraw/zinc/11/17/47/780111747.db2.gz SCGVXUDUHKDKSR-GMTAPVOTSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1C ZINC001206887603 780112935 /nfs/dbraw/zinc/11/29/35/780112935.db2.gz SHTFXWKKRIDTQN-GRYCIOLGSA-N 1 0 281.356 -1.057 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978342 780113942 /nfs/dbraw/zinc/11/39/42/780113942.db2.gz ZBWNMWUTWOMTCM-VXGBXAGGSA-N 1 0 292.343 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COC)C1 ZINC001206981013 780114380 /nfs/dbraw/zinc/11/43/80/780114380.db2.gz VPCNIVIRQUNIBK-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099043 780114425 /nfs/dbraw/zinc/11/44/25/780114425.db2.gz CVRYWIXLIULYSQ-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099044 780115718 /nfs/dbraw/zinc/11/57/18/780115718.db2.gz CVRYWIXLIULYSQ-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001207284570 780117012 /nfs/dbraw/zinc/11/70/12/780117012.db2.gz VHCVYPFGFRDAAH-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259033 780117135 /nfs/dbraw/zinc/11/71/35/780117135.db2.gz VUCLNMRKMADRSE-SECBINFHSA-N 1 0 296.331 -2.125 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207289717 780117209 /nfs/dbraw/zinc/11/72/09/780117209.db2.gz ACCNHJARMOVJLT-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001207364659 780117829 /nfs/dbraw/zinc/11/78/29/780117829.db2.gz GOTYLVLTQQAQMM-NXEZZACHSA-N 1 0 252.318 -1.015 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207688480 780118423 /nfs/dbraw/zinc/11/84/23/780118423.db2.gz PPMIAPKBIOCARX-DTWKUNHWSA-N 1 0 281.316 -1.078 20 30 CAEDRO CC(=O)NCC(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001276534768 780118668 /nfs/dbraw/zinc/11/86/68/780118668.db2.gz ANBNHENQDUTNOF-NSHDSACASA-N 1 0 295.343 -1.753 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724802 780120205 /nfs/dbraw/zinc/12/02/05/780120205.db2.gz DOIHDGCGJFGZFN-SECBINFHSA-N 1 0 281.316 -1.918 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001207740063 780120612 /nfs/dbraw/zinc/12/06/12/780120612.db2.gz MIWWBPZSYICZGQ-ZYHUDNBSSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725956 780120696 /nfs/dbraw/zinc/12/06/96/780120696.db2.gz UTOLXNGHKTVEAV-QWRGUYRKSA-N 1 0 294.355 -1.420 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724804 780120753 /nfs/dbraw/zinc/12/07/53/780120753.db2.gz DOIHDGCGJFGZFN-VIFPVBQESA-N 1 0 281.316 -1.918 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725954 780120942 /nfs/dbraw/zinc/12/09/42/780120942.db2.gz UTOLXNGHKTVEAV-GHMZBOCLSA-N 1 0 294.355 -1.420 20 30 CAEDRO CNC(=O)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207889665 780121856 /nfs/dbraw/zinc/12/18/56/780121856.db2.gz OKLKLXWMFMINSZ-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO CNC(=O)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207889666 780122069 /nfs/dbraw/zinc/12/20/69/780122069.db2.gz OKLKLXWMFMINSZ-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208055835 780123010 /nfs/dbraw/zinc/12/30/10/780123010.db2.gz GORAZDIUEZZFSI-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1C(=O)OCC ZINC000088665244 780124032 /nfs/dbraw/zinc/12/40/32/780124032.db2.gz LQBYKLNYDOEFOV-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@H]1C(=O)OCC ZINC000088665242 780124151 /nfs/dbraw/zinc/12/41/51/780124151.db2.gz LQBYKLNYDOEFOV-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001208163997 780125396 /nfs/dbraw/zinc/12/53/96/780125396.db2.gz NCOCAWOCLRYTAX-NXEZZACHSA-N 1 0 290.389 -1.337 20 30 CAEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001208769180 780130017 /nfs/dbraw/zinc/13/00/17/780130017.db2.gz IKLSZZIUQQSGDO-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001276602721 780130254 /nfs/dbraw/zinc/13/02/54/780130254.db2.gz CWVGEHWDOJVNAJ-VHSXEESVSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366356 780133782 /nfs/dbraw/zinc/13/37/82/780133782.db2.gz QYTQQTFYZNQPEG-NXEZZACHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209367254 780133928 /nfs/dbraw/zinc/13/39/28/780133928.db2.gz ZWSVYVBLLDYCKZ-VHSXEESVSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209367255 780134024 /nfs/dbraw/zinc/13/40/24/780134024.db2.gz ZWSVYVBLLDYCKZ-ZJUUUORDSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)C(N)=O)C1CC1 ZINC001276647826 780134895 /nfs/dbraw/zinc/13/48/95/780134895.db2.gz AAKZNMMSVNYLMW-WPRPVWTQSA-N 1 0 282.344 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001210197996 780137717 /nfs/dbraw/zinc/13/77/17/780137717.db2.gz GNLGEWBDDUUNOS-SNVBAGLBSA-N 1 0 290.327 -1.252 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001210236524 780137776 /nfs/dbraw/zinc/13/77/76/780137776.db2.gz OERFICBXCQHPBF-SECBINFHSA-N 1 0 292.299 -1.096 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C1CC1 ZINC001276686037 780139766 /nfs/dbraw/zinc/13/97/66/780139766.db2.gz BDVCGCSQHJPHIJ-LLVKDONJSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211084695 780140611 /nfs/dbraw/zinc/14/06/11/780140611.db2.gz XDABUXFEAQDSCA-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211125340 780142846 /nfs/dbraw/zinc/14/28/46/780142846.db2.gz DEIQHOKSESACNG-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719084 780146690 /nfs/dbraw/zinc/14/66/90/780146690.db2.gz MQXNHEOGVZWRSK-VXGBXAGGSA-N 1 0 284.360 -1.096 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213618127 780146999 /nfs/dbraw/zinc/14/69/99/780146999.db2.gz OQOGUPZQQWJXKC-VXGBXAGGSA-N 1 0 292.343 -1.098 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214058951 780147700 /nfs/dbraw/zinc/14/77/00/780147700.db2.gz LVSRRCLTRWTSNJ-ZYHUDNBSSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214118198 780149684 /nfs/dbraw/zinc/14/96/84/780149684.db2.gz AWXFMXIHYXZBHX-NXEZZACHSA-N 1 0 295.343 -2.159 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214373666 780150916 /nfs/dbraw/zinc/15/09/16/780150916.db2.gz WYZVHIZCLHNMEL-GMTAPVOTSA-N 1 0 296.371 -1.011 20 30 CAEDRO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214375866 780150945 /nfs/dbraw/zinc/15/09/45/780150945.db2.gz XVGGGKQZAPIXFT-RKDXNWHRSA-N 1 0 281.316 -2.062 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C ZINC001214610651 780152858 /nfs/dbraw/zinc/15/28/58/780152858.db2.gz BSJHKNQKFIURLB-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001214475547 780152722 /nfs/dbraw/zinc/15/27/22/780152722.db2.gz GJGWLPXQLBYYFY-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001214473301 780152801 /nfs/dbraw/zinc/15/28/01/780152801.db2.gz CVPZRHLXTKJNBL-GRYCIOLGSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001214605102 780153343 /nfs/dbraw/zinc/15/33/43/780153343.db2.gz VXHFYBAFEBDNKJ-GMTAPVOTSA-N 1 0 267.329 -1.054 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C ZINC001215234242 780155395 /nfs/dbraw/zinc/15/53/95/780155395.db2.gz LTITVSMRBPMDAO-NXEZZACHSA-N 1 0 288.373 -1.890 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215441542 780156400 /nfs/dbraw/zinc/15/64/00/780156400.db2.gz VMCRTFUGRWYJLH-NXEZZACHSA-N 1 0 253.302 -1.442 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215685132 780156720 /nfs/dbraw/zinc/15/67/20/780156720.db2.gz MVKJTUONTVGBNU-OUAUKWLOSA-N 1 0 287.385 -1.006 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001215685131 780156950 /nfs/dbraw/zinc/15/69/50/780156950.db2.gz MVKJTUONTVGBNU-GMTAPVOTSA-N 1 0 287.385 -1.006 20 30 CAEDRO N#CCSCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219218783 780201320 /nfs/dbraw/zinc/20/13/20/780201320.db2.gz XFJOYOKYCJQVPE-ZJUUUORDSA-N 1 0 273.358 -1.213 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(C)=O)CCO1 ZINC001276748581 780158889 /nfs/dbraw/zinc/15/88/89/780158889.db2.gz LZCNWFIGCINWLK-PWSUYJOCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(C)=O)CCO1 ZINC001276748579 780159060 /nfs/dbraw/zinc/15/90/60/780159060.db2.gz LZCNWFIGCINWLK-CMPLNLGQSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216773009 780159864 /nfs/dbraw/zinc/15/98/64/780159864.db2.gz UYSDRSVSBHRXNB-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001276747227 780159916 /nfs/dbraw/zinc/15/99/16/780159916.db2.gz DQOGWPIANWCOHO-FIQHERPVSA-N 1 0 289.335 -1.034 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CC ZINC001276752883 780160729 /nfs/dbraw/zinc/16/07/29/780160729.db2.gz VUGGBHPYYIBASA-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217275359 780161224 /nfs/dbraw/zinc/16/12/24/780161224.db2.gz GGPNGHNPHMHXBN-WDEREUQCSA-N 1 0 280.328 -1.410 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)NC(N)=O)[C@H]2C1 ZINC001217725891 780162289 /nfs/dbraw/zinc/16/22/89/780162289.db2.gz ZJAONGDMWRFFGF-SDDRHHMPSA-N 1 0 294.355 -1.022 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218516440 780167659 /nfs/dbraw/zinc/16/76/59/780167659.db2.gz JABASBKAJAVGNB-YFKPBYRVSA-N 1 0 297.275 -2.475 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218519133 780168574 /nfs/dbraw/zinc/16/85/74/780168574.db2.gz YTOYAXGNWLCRNV-KSBSHMNSSA-N 1 0 295.303 -1.606 20 30 CAEDRO C#Cc1cc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)ccn1 ZINC001218524957 780169360 /nfs/dbraw/zinc/16/93/60/780169360.db2.gz PMJWCIYKHGLFEI-UHFFFAOYSA-N 1 0 296.352 -1.356 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)nc1C#N ZINC001218594514 780172857 /nfs/dbraw/zinc/17/28/57/780172857.db2.gz GDUHTLFVVWCVDI-CPFSXVBKSA-N 1 0 298.310 -1.308 20 30 CAEDRO N#Cc1nc[nH]c1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218594147 780173142 /nfs/dbraw/zinc/17/31/42/780173142.db2.gz HOTKAYGKDJMOCG-MRVPVSSYSA-N 1 0 262.273 -1.450 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)C[C@H](O)C[NH3+])nc1C#N ZINC001218595102 780173183 /nfs/dbraw/zinc/17/31/83/780173183.db2.gz LUDDCYXBBZTGHC-YFKPBYRVSA-N 1 0 261.245 -1.550 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1[nH]cnc1C#N ZINC001218594618 780173249 /nfs/dbraw/zinc/17/32/49/780173249.db2.gz HMRHAPCJPLQWLX-UHFFFAOYSA-N 1 0 286.317 -1.560 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)nc1C#N ZINC001218595913 780173803 /nfs/dbraw/zinc/17/38/03/780173803.db2.gz RSXQBSOPLOJYGP-WDSKDSINSA-N 1 0 272.272 -1.713 20 30 CAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)CNCC[NH3+])c1N ZINC001218597295 780174803 /nfs/dbraw/zinc/17/48/03/780174803.db2.gz LMAAHVSIYCZGNA-UHFFFAOYSA-N 1 0 290.331 -1.829 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001218637580 780178922 /nfs/dbraw/zinc/17/89/22/780178922.db2.gz LVLBAJOANHAREX-UWVGGRQHSA-N 1 0 296.294 -1.042 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)c(C#C)n1 ZINC001218657683 780179321 /nfs/dbraw/zinc/17/93/21/780179321.db2.gz QJHXJDBMLPHHNW-UWVGGRQHSA-N 1 0 255.281 -1.076 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c(C#C)n1 ZINC001218657587 780179434 /nfs/dbraw/zinc/17/94/34/780179434.db2.gz ORUJZAFDDKVFGO-GFCCVEGCSA-N 1 0 297.318 -1.292 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c1N ZINC001218659502 780179493 /nfs/dbraw/zinc/17/94/93/780179493.db2.gz HUPKLOQUHGRYHY-ZETCQYMHSA-N 1 0 260.261 -1.148 20 30 CAEDRO N#Cc1c(N)nn(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c1N ZINC001218660496 780179543 /nfs/dbraw/zinc/17/95/43/780179543.db2.gz PLTPFRUJLIPZMY-QMMMGPOBSA-N 1 0 291.315 -1.101 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)c1N ZINC001218659501 780180030 /nfs/dbraw/zinc/18/00/30/780180030.db2.gz HUPKLOQUHGRYHY-SSDOTTSWSA-N 1 0 260.261 -1.148 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cn(C)nc1C#N ZINC001218668604 780179940 /nfs/dbraw/zinc/17/99/40/780179940.db2.gz KTDYYHYBPLRSHO-BQBZGAKWSA-N 1 0 280.288 -1.945 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@H]2C[NH2+]C[C@H]2O)c(C#C)n1 ZINC001218657615 780180087 /nfs/dbraw/zinc/18/00/87/780180087.db2.gz PIJFBXZERBLEOS-GXSJLCMTSA-N 1 0 256.265 -1.042 20 30 CAEDRO Cn1cc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c(C#N)n1 ZINC001218667434 780180235 /nfs/dbraw/zinc/18/02/35/780180235.db2.gz GEWMEURTVWJMCO-SNVBAGLBSA-N 1 0 276.300 -1.439 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@@H]2C[NH2+]CCN2)c(C#C)n1 ZINC001218657133 780180279 /nfs/dbraw/zinc/18/02/79/780180279.db2.gz BCMPMTVXSQBIKT-NSHDSACASA-N 1 0 255.281 -1.061 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)c1N ZINC001218659905 780180384 /nfs/dbraw/zinc/18/03/84/780180384.db2.gz MIDPKDSOUAJBCB-SSDOTTSWSA-N 1 0 277.288 -2.110 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)c(C#C)n1 ZINC001218657616 780180425 /nfs/dbraw/zinc/18/04/25/780180425.db2.gz PIJFBXZERBLEOS-KOLCDFICSA-N 1 0 256.265 -1.042 20 30 CAEDRO N#Cc1n[nH]cc1NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001218655812 780180431 /nfs/dbraw/zinc/18/04/31/780180431.db2.gz LCUKPOXPADJGIC-ZCFIWIBFSA-N 1 0 265.277 -1.004 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219026660 780186933 /nfs/dbraw/zinc/18/69/33/780186933.db2.gz FOLQFUGVKGLIDG-NWDGAFQWSA-N 1 0 294.355 -1.020 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219093378 780190520 /nfs/dbraw/zinc/19/05/20/780190520.db2.gz UHAOHIZZZBRDCB-MNOVXSKESA-N 1 0 258.318 -1.003 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219110393 780193680 /nfs/dbraw/zinc/19/36/80/780193680.db2.gz MTUXSIOKYRVLKA-NEPJUHHUSA-N 1 0 285.344 -1.514 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151817 780196611 /nfs/dbraw/zinc/19/66/11/780196611.db2.gz RITZUGDNSFPISM-UHTWSYAYSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151816 780197516 /nfs/dbraw/zinc/19/75/16/780197516.db2.gz RITZUGDNSFPISM-RTXFEEFZSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168752 780198358 /nfs/dbraw/zinc/19/83/58/780198358.db2.gz LWAMMUZDELTAKZ-ZJUUUORDSA-N 1 0 286.332 -1.981 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163564 780198790 /nfs/dbraw/zinc/19/87/90/780198790.db2.gz YSYBBVCZUSKIDO-BDAKNGLRSA-N 1 0 256.306 -1.608 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168755 780198849 /nfs/dbraw/zinc/19/88/49/780198849.db2.gz LWTDEJJOQXWQBE-BDAKNGLRSA-N 1 0 254.290 -2.161 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274717 780206543 /nfs/dbraw/zinc/20/65/43/780206543.db2.gz FHDBFPXNXPDAAB-ZJUUUORDSA-N 1 0 269.301 -1.473 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357838 780212581 /nfs/dbraw/zinc/21/25/81/780212581.db2.gz MUGCMXNBUUCBNU-UTUOFQBUSA-N 1 0 297.355 -1.371 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219363600 780213233 /nfs/dbraw/zinc/21/32/33/780213233.db2.gz AFIZVSZBXCCHSS-TUAOUCFPSA-N 1 0 288.344 -1.642 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 ZINC001219375979 780214847 /nfs/dbraw/zinc/21/48/47/780214847.db2.gz IXVDQCHGVBDDCT-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413188 780219805 /nfs/dbraw/zinc/21/98/05/780219805.db2.gz LSKAMVYEVGFYFT-ZJUUUORDSA-N 1 0 271.317 -1.774 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219440918 780221063 /nfs/dbraw/zinc/22/10/63/780221063.db2.gz FWOWHWMPPYAAGH-MNOVXSKESA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@@H]1O ZINC001219487549 780222385 /nfs/dbraw/zinc/22/23/85/780222385.db2.gz WSBPDOIJSUZUTL-TUAOUCFPSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1O ZINC001219487136 780222807 /nfs/dbraw/zinc/22/28/07/780222807.db2.gz FAKWSNYWICBAHH-NEPJUHHUSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1O ZINC001219492594 780223235 /nfs/dbraw/zinc/22/32/35/780223235.db2.gz RZPWBVFXLXYXIU-NEPJUHHUSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219492462 780223245 /nfs/dbraw/zinc/22/32/45/780223245.db2.gz MQDSNZPRGRZYMX-MNOVXSKESA-N 1 0 283.328 -2.330 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=C)C)C[C@@H]1O ZINC001219487049 780223275 /nfs/dbraw/zinc/22/32/75/780223275.db2.gz BZLVNSBOKPACDJ-NEPJUHHUSA-N 1 0 279.340 -1.137 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 ZINC001219495793 780223434 /nfs/dbraw/zinc/22/34/34/780223434.db2.gz NUZLPRBDNGKSFT-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219487225 780223574 /nfs/dbraw/zinc/22/35/74/780223574.db2.gz HSBYHSBWFACFQV-MXWKQRLJSA-N 1 0 283.328 -2.332 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219487163 780223592 /nfs/dbraw/zinc/22/35/92/780223592.db2.gz GAFKVELTXRLJGQ-MNOVXSKESA-N 1 0 285.319 -1.353 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001219492586 780223796 /nfs/dbraw/zinc/22/37/96/780223796.db2.gz RPYSKMQVKYRAIF-MNOVXSKESA-N 1 0 267.329 -1.304 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219510542 780226115 /nfs/dbraw/zinc/22/61/15/780226115.db2.gz ULYIYQBOSJRJJY-ZJUUUORDSA-N 1 0 253.302 -1.693 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219510571 780226635 /nfs/dbraw/zinc/22/66/35/780226635.db2.gz VPXLHYDLLNPWBJ-MNOVXSKESA-N 1 0 285.344 -1.514 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521383 780226928 /nfs/dbraw/zinc/22/69/28/780226928.db2.gz HRDUZOQUTVMKAQ-AEJSXWLSSA-N 1 0 268.317 -1.772 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219536020 780228243 /nfs/dbraw/zinc/22/82/43/780228243.db2.gz JAAKEDIRNNLZMG-SCVCMEIPSA-N 1 0 258.318 -1.533 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547503 780228301 /nfs/dbraw/zinc/22/83/01/780228301.db2.gz UAXVTPCXSQUZNN-VWYCJHECSA-N 1 0 299.327 -1.541 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219536016 780228383 /nfs/dbraw/zinc/22/83/83/780228383.db2.gz JAAKEDIRNNLZMG-JFGNBEQYSA-N 1 0 258.318 -1.533 20 30 CAEDRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 ZINC001219582451 780233321 /nfs/dbraw/zinc/23/33/21/780233321.db2.gz BMUIPNIKNBGJQO-UPJWGTAASA-N 1 0 284.356 -1.186 20 30 CAEDRO N#CC1(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCC1 ZINC001219606140 780236496 /nfs/dbraw/zinc/23/64/96/780236496.db2.gz GDNVRHIODUSJIW-SECBINFHSA-N 1 0 250.302 -1.121 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1(C#N)CCC1 ZINC001219608101 780237843 /nfs/dbraw/zinc/23/78/43/780237843.db2.gz PAIOAISBNKTAMR-YUMQZZPRSA-N 1 0 254.290 -1.627 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001219609259 780238072 /nfs/dbraw/zinc/23/80/72/780238072.db2.gz JDVNBAIBNMLJOQ-TUAOUCFPSA-N 1 0 270.329 -1.432 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219611887 780238328 /nfs/dbraw/zinc/23/83/28/780238328.db2.gz OLAPPPNXCLZBRW-MNOVXSKESA-N 1 0 256.302 -1.820 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)NC1(C#N)CCC1 ZINC001219607892 780238489 /nfs/dbraw/zinc/23/84/89/780238489.db2.gz GHKBGDMMRXYVDQ-UHFFFAOYSA-N 1 0 274.346 -1.231 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1(C#N)CCC1 ZINC001219607962 780238856 /nfs/dbraw/zinc/23/88/56/780238856.db2.gz JIVFSBAIIYCPAN-YUMQZZPRSA-N 1 0 281.316 -1.744 20 30 CAEDRO C#CCCCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219634330 780244296 /nfs/dbraw/zinc/24/42/96/780244296.db2.gz UIIVBHZOYIFYHU-UHFFFAOYSA-N 1 0 261.347 -1.264 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219674865 780247294 /nfs/dbraw/zinc/24/72/94/780247294.db2.gz FNHHMMZDMWUNLK-UTUOFQBUSA-N 1 0 297.355 -1.678 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675389 780247561 /nfs/dbraw/zinc/24/75/61/780247561.db2.gz ZVQAWQJOMJSVMB-UTUOFQBUSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219704983 780251740 /nfs/dbraw/zinc/25/17/40/780251740.db2.gz RCDNKVDXUPXKJM-NEPJUHHUSA-N 1 0 295.343 -1.358 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219752133 780258673 /nfs/dbraw/zinc/25/86/73/780258673.db2.gz QYNRIQTWMZQOSJ-ZJUUUORDSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 ZINC001219790343 780260306 /nfs/dbraw/zinc/26/03/06/780260306.db2.gz GBNXKPIUEACSTL-NEPJUHHUSA-N 1 0 277.328 -1.147 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219806474 780262573 /nfs/dbraw/zinc/26/25/73/780262573.db2.gz YBYCCDMDSXJNBC-AWEZNQCLSA-N 1 0 289.339 -1.297 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)NC1=CC(=O)CCC1 ZINC001219885173 780273312 /nfs/dbraw/zinc/27/33/12/780273312.db2.gz JQFAZBIMWJIQSN-UHFFFAOYSA-N 1 0 289.357 -1.040 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)C[C@H]1COCC[NH2+]1 ZINC001220036122 780295513 /nfs/dbraw/zinc/29/55/13/780295513.db2.gz JZGRJKHFLIFBPQ-YUMQZZPRSA-N 1 0 262.331 -1.048 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220035838 780295655 /nfs/dbraw/zinc/29/56/55/780295655.db2.gz HADLDLMYSHKQKQ-LEQIOUOKSA-N 1 0 273.358 -1.204 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220036774 780295864 /nfs/dbraw/zinc/29/58/64/780295864.db2.gz VLJPUOCULNRSJU-LAEOZQHASA-N 1 0 273.358 -1.475 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220036851 780296601 /nfs/dbraw/zinc/29/66/01/780296601.db2.gz XZLLQTZQMYXUAW-MAUMQABQSA-N 1 0 273.358 -1.476 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220043174 780297316 /nfs/dbraw/zinc/29/73/16/780297316.db2.gz HVXUWXGRFVTKTN-JTQLQIEISA-N 1 0 254.334 -1.254 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220043324 780297834 /nfs/dbraw/zinc/29/78/34/780297834.db2.gz NTWUDOCJZHAGDO-ZJUUUORDSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220043322 780297993 /nfs/dbraw/zinc/29/79/93/780297993.db2.gz NTWUDOCJZHAGDO-UWVGGRQHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220043453 780298134 /nfs/dbraw/zinc/29/81/34/780298134.db2.gz RVDSLZOJZNBPHG-SNVBAGLBSA-N 1 0 299.375 -1.039 20 30 CAEDRO C=C(C)C(=O)OCCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220124608 780307966 /nfs/dbraw/zinc/30/79/66/780307966.db2.gz DSGDADVMDBTUTF-SNVBAGLBSA-N 1 0 283.328 -1.448 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220137917 780309071 /nfs/dbraw/zinc/30/90/71/780309071.db2.gz LUHQEXKWLRXYRC-UTUOFQBUSA-N 1 0 299.371 -1.138 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220138247 780309482 /nfs/dbraw/zinc/30/94/82/780309482.db2.gz SOVUQQNKAPWTLC-AXFHLTTASA-N 1 0 267.329 -1.318 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220138248 780309767 /nfs/dbraw/zinc/30/97/67/780309767.db2.gz SOVUQQNKAPWTLC-MXWKQRLJSA-N 1 0 267.329 -1.318 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220173396 780316374 /nfs/dbraw/zinc/31/63/74/780316374.db2.gz NEFBDSRQNFJMQI-ONGXEEELSA-N 1 0 254.286 -1.015 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCCCC#N ZINC001220191907 780318285 /nfs/dbraw/zinc/31/82/85/780318285.db2.gz UKAGTIVMFAIHDW-IUCAKERBSA-N 1 0 256.306 -1.379 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220225817 780322316 /nfs/dbraw/zinc/32/23/16/780322316.db2.gz VCGGUVLLIYNIKO-NEPJUHHUSA-N 1 0 278.312 -1.407 20 30 CAEDRO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220243914 780325403 /nfs/dbraw/zinc/32/54/03/780325403.db2.gz VEDIUXSCRLNWSB-AEJSXWLSSA-N 1 0 255.318 -1.012 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220256467 780326476 /nfs/dbraw/zinc/32/64/76/780326476.db2.gz TUXZAIWCFCIWDX-MNOVXSKESA-N 1 0 295.339 -1.937 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001220498852 780355629 /nfs/dbraw/zinc/35/56/29/780355629.db2.gz MAQZFAUVIVVONO-JGVFFNPUSA-N 1 0 257.246 -1.552 20 30 CAEDRO C=CCNC(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271848 780328376 /nfs/dbraw/zinc/32/83/76/780328376.db2.gz JLKJXCZEAANPMN-NEPJUHHUSA-N 1 0 298.387 -1.598 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275465 780329431 /nfs/dbraw/zinc/32/94/31/780329431.db2.gz YPDFZAWTYCVSRR-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](COC)OC)[C@@H](O)C1 ZINC001220317931 780336459 /nfs/dbraw/zinc/33/64/59/780336459.db2.gz ASOLNVBMYIUSDX-GRYCIOLGSA-N 1 0 270.329 -1.168 20 30 CAEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@H](CO)C(N)=O ZINC001220329254 780338111 /nfs/dbraw/zinc/33/81/11/780338111.db2.gz KEYKKHYYDGIDOW-WDEREUQCSA-N 1 0 276.296 -1.610 20 30 CAEDRO COc1ccc(C(=NC(=O)[C@H]2C[NH2+]C[C@H]2O)NO)nc1 ZINC001220376902 780341029 /nfs/dbraw/zinc/34/10/29/780341029.db2.gz CLDYLLPURKSWBO-WCBMZHEXSA-N 1 0 280.284 -1.078 20 30 CAEDRO COc1ccc(C(=NC(=O)[C@H]2C[NH2+]C[C@@H]2O)NO)nc1 ZINC001220376903 780341613 /nfs/dbraw/zinc/34/16/13/780341613.db2.gz CLDYLLPURKSWBO-WPRPVWTQSA-N 1 0 280.284 -1.078 20 30 CAEDRO COc1ccc(C(=NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)NO)nc1 ZINC001220376901 780341798 /nfs/dbraw/zinc/34/17/98/780341798.db2.gz CLDYLLPURKSWBO-SCZZXKLOSA-N 1 0 280.284 -1.078 20 30 CAEDRO C=C[C@@H](CO)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220393086 780345379 /nfs/dbraw/zinc/34/53/79/780345379.db2.gz PWNOUFUREVWBAT-UWVGGRQHSA-N 1 0 255.318 -1.011 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220415481 780346397 /nfs/dbraw/zinc/34/63/97/780346397.db2.gz MCUMGMZYNOBNIN-HTQZYQBOSA-N 1 0 279.256 -1.112 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220415215 780346721 /nfs/dbraw/zinc/34/67/21/780346721.db2.gz BGWDPGPSGRKQAQ-YUMQZZPRSA-N 1 0 278.272 -1.146 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220415482 780347155 /nfs/dbraw/zinc/34/71/55/780347155.db2.gz MCUMGMZYNOBNIN-JGVFFNPUSA-N 1 0 279.256 -1.112 20 30 CAEDRO C=CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220484795 780353944 /nfs/dbraw/zinc/35/39/44/780353944.db2.gz USWLGSJZCXGIMC-IUCAKERBSA-N 1 0 270.333 -1.224 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220499344 780354617 /nfs/dbraw/zinc/35/46/17/780354617.db2.gz WRGNAZYXXSOJNH-KCJUWKMLSA-N 1 0 254.290 -1.361 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220499154 780354702 /nfs/dbraw/zinc/35/47/02/780354702.db2.gz SZRLPCWOKPZACY-BDAKNGLRSA-N 1 0 255.274 -1.064 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220499343 780355090 /nfs/dbraw/zinc/35/50/90/780355090.db2.gz WRGNAZYXXSOJNH-GZMMTYOYSA-N 1 0 254.290 -1.361 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)CN1CC[NH2+]CC1 ZINC001220498901 780355280 /nfs/dbraw/zinc/35/52/80/780355280.db2.gz ODMOOXHINAKWJS-VIFPVBQESA-N 1 0 254.290 -1.537 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220498745 780355322 /nfs/dbraw/zinc/35/53/22/780355322.db2.gz KXJKMIUXUJZRAD-SFYZADRCSA-N 1 0 285.304 -1.666 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220499095 780355609 /nfs/dbraw/zinc/35/56/09/780355609.db2.gz RFEORYWPGURIOO-PTJHWVCESA-N 1 0 275.330 -1.346 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220499059 780355651 /nfs/dbraw/zinc/35/56/51/780355651.db2.gz PPIZYKNSRUSDDF-VHSXEESVSA-N 1 0 296.327 -1.102 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220499172 780355838 /nfs/dbraw/zinc/35/58/38/780355838.db2.gz TXNISKFDJFNQSA-IUCAKERBSA-N 1 0 282.300 -2.112 20 30 CAEDRO N#C[C@@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C(N)=O ZINC001220527866 780360413 /nfs/dbraw/zinc/36/04/13/780360413.db2.gz QNSSRJFPXCKFIO-PHDIDXHHSA-N 1 0 256.266 -2.744 20 30 CAEDRO N#C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC(O)CC1)C(N)=O ZINC001220527781 780360629 /nfs/dbraw/zinc/36/06/29/780360629.db2.gz ORRLLJSBXIYCMP-YNTFGVKOSA-N 1 0 254.290 -1.642 20 30 CAEDRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220527946 780360777 /nfs/dbraw/zinc/36/07/77/780360777.db2.gz UJIIOPNQIGVLMG-HTQZYQBOSA-N 1 0 284.316 -1.071 20 30 CAEDRO N#C[C@@H](NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C(N)=O ZINC001220527773 780361008 /nfs/dbraw/zinc/36/10/08/780361008.db2.gz ONGOSFNSTOSKFG-RQJHMYQMSA-N 1 0 253.262 -3.190 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H](C#N)C(N)=O ZINC001220527802 780361032 /nfs/dbraw/zinc/36/10/32/780361032.db2.gz PADOPFHGIOBVOM-ZCFIWIBFSA-N 1 0 277.306 -3.300 20 30 CAEDRO N#C[C@@H](NC(=O)CN1CCCC[C@H]([NH3+])C1=O)C(N)=O ZINC001220527741 780361133 /nfs/dbraw/zinc/36/11/33/780361133.db2.gz NPDLCRBAVSNPNL-JGVFFNPUSA-N 1 0 267.289 -2.180 20 30 CAEDRO Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220527256 780361447 /nfs/dbraw/zinc/36/14/47/780361447.db2.gz HBJFKYSMBSZUJX-YUMQZZPRSA-N 1 0 250.262 -2.216 20 30 CAEDRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220526922 780361524 /nfs/dbraw/zinc/36/15/24/780361524.db2.gz AVPMAODNEWSQFH-IUCAKERBSA-N 1 0 269.305 -1.886 20 30 CAEDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C#N)C(N)=O ZINC001220527413 780361553 /nfs/dbraw/zinc/36/15/53/780361553.db2.gz ISWHGNWRRQPMDL-OOZYFLPDSA-N 1 0 269.305 -2.030 20 30 CAEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220527733 780361773 /nfs/dbraw/zinc/36/17/73/780361773.db2.gz NINJKXDVJDWKGA-QWRGUYRKSA-N 1 0 271.280 -1.078 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](C#N)C(N)=O ZINC001220526896 780362174 /nfs/dbraw/zinc/36/21/74/780362174.db2.gz AHSOBIBFLISOAZ-ZLUOBGJFSA-N 1 0 257.250 -3.696 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553955 780363952 /nfs/dbraw/zinc/36/39/52/780363952.db2.gz ZXNHLNGVIFHPRC-KGLIPLIRSA-N 1 0 295.383 -1.107 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCCS ZINC001220587561 780368555 /nfs/dbraw/zinc/36/85/55/780368555.db2.gz FRCLIAAASDNCNH-BQBZGAKWSA-N 1 0 276.362 -1.870 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220601264 780369630 /nfs/dbraw/zinc/36/96/30/780369630.db2.gz BLKDNHJVFNTESU-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642881 780371202 /nfs/dbraw/zinc/37/12/02/780371202.db2.gz MZEPIVNVUABPIR-KGLIPLIRSA-N 1 0 295.383 -1.108 20 30 CAEDRO NC(=O)c1ccc(C(=[NH2+])NC([O-])=C[C@H](O)C[NH3+])cc1 ZINC001220643945 780371334 /nfs/dbraw/zinc/37/13/34/780371334.db2.gz YVCNALWKDUKQLA-VIFPVBQESA-N 1 0 264.285 -1.273 20 30 CAEDRO NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]C[C@H]2O)cc1 ZINC001220643342 780371544 /nfs/dbraw/zinc/37/15/44/780371544.db2.gz BHAYCTGBESQNFA-NXEZZACHSA-N 1 0 276.296 -1.402 20 30 CAEDRO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1 ZINC001220642727 780371900 /nfs/dbraw/zinc/37/19/00/780371900.db2.gz KGFHFDCDBQXFCB-OLZOCXBDSA-N 1 0 296.371 -1.218 20 30 CAEDRO N=C(NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(C(N)=O)cc1 ZINC001220643387 780372382 /nfs/dbraw/zinc/37/23/82/780372382.db2.gz CQSNYKNSXPNUQH-NXEZZACHSA-N 1 0 276.296 -1.260 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606226 780372571 /nfs/dbraw/zinc/37/25/71/780372571.db2.gz LHQLNDATMWSBPS-MNOVXSKESA-N 1 0 278.316 -1.752 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)[C@@H](O)C1 ZINC001220805271 780382576 /nfs/dbraw/zinc/38/25/76/780382576.db2.gz VNPQDYVACHVATO-FRRDWIJNSA-N 1 0 281.356 -1.058 20 30 CAEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001220868684 780387978 /nfs/dbraw/zinc/38/79/78/780387978.db2.gz OWWYSIDWHJTRJG-UWVGGRQHSA-N 1 0 279.348 -1.164 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220938389 780399742 /nfs/dbraw/zinc/39/97/42/780399742.db2.gz VBCRLYIRMLRYRJ-ZJUUUORDSA-N 1 0 268.317 -1.771 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986089 780400890 /nfs/dbraw/zinc/40/08/90/780400890.db2.gz RQEBELODDKZGNE-MJBXVCDLSA-N 1 0 295.383 -1.251 20 30 CAEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O ZINC001220986034 780400802 /nfs/dbraw/zinc/40/08/02/780400802.db2.gz PGMKDDLDPTXZJQ-XQQFMLRXSA-N 1 0 296.371 -1.360 20 30 CAEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O ZINC001220986033 780400955 /nfs/dbraw/zinc/40/09/55/780400955.db2.gz PGMKDDLDPTXZJQ-UPJWGTAASA-N 1 0 296.371 -1.360 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001220992428 780400987 /nfs/dbraw/zinc/40/09/87/780400987.db2.gz AMDWEUYPKLXNCY-ZJUUUORDSA-N 1 0 291.373 -1.727 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 ZINC001221075460 780403121 /nfs/dbraw/zinc/40/31/21/780403121.db2.gz BMBOMJVLRDIJNB-MNOVXSKESA-N 1 0 296.371 -1.121 20 30 CAEDRO N#Cc1ccc(CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cn1 ZINC001221089072 780403469 /nfs/dbraw/zinc/40/34/69/780403469.db2.gz GVGOYOSIAAIEBY-LBPRGKRZSA-N 1 0 287.323 -1.100 20 30 CAEDRO C=CC[C@@](C)(NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C(=O)OC ZINC001221381606 780419311 /nfs/dbraw/zinc/41/93/11/780419311.db2.gz GANMJODHEPYYHD-GXFFZTMASA-N 1 0 297.355 -1.059 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224311671 780433175 /nfs/dbraw/zinc/43/31/75/780433175.db2.gz FYPPOFXOLQVGPL-SNVBAGLBSA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224312945 780433553 /nfs/dbraw/zinc/43/35/53/780433553.db2.gz TXKJRKFIMHLFQW-SNVBAGLBSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276969607 780433747 /nfs/dbraw/zinc/43/37/47/780433747.db2.gz GQPMEVOPIISSBW-STQMWFEESA-N 1 0 292.383 -1.122 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001276997679 780435235 /nfs/dbraw/zinc/43/52/35/780435235.db2.gz QJDJWEJYTFGOLU-SECBINFHSA-N 1 0 295.343 -1.611 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cnnn2)CC1 ZINC001277001610 780436305 /nfs/dbraw/zinc/43/63/05/780436305.db2.gz FVNAFZFXJZRKDK-UHFFFAOYSA-N 1 0 292.303 -2.449 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001277088085 780440723 /nfs/dbraw/zinc/44/07/23/780440723.db2.gz WONXQQLCXBCTQW-DCAQKATOSA-N 1 0 285.369 -1.204 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001277132936 780442332 /nfs/dbraw/zinc/44/23/32/780442332.db2.gz MDDQQOJBUGYISP-SECBINFHSA-N 1 0 295.343 -1.624 20 30 CAEDRO COCC#CC[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227408755 780448047 /nfs/dbraw/zinc/44/80/47/780448047.db2.gz VOWMTPKYVDUROQ-UHFFFAOYSA-N 1 0 292.343 -1.097 20 30 CAEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC(=O)NCC#N ZINC001227977285 780449082 /nfs/dbraw/zinc/44/90/82/780449082.db2.gz XTCHPZYPBLZNOG-GHMZBOCLSA-N 1 0 297.359 -1.277 20 30 CAEDRO CCO[C@@H](CNC(=O)NCC(=O)NCC#N)C[NH+](C)C ZINC001227975342 780449397 /nfs/dbraw/zinc/44/93/97/780449397.db2.gz NPVJIYQHESWYAJ-JTQLQIEISA-N 1 0 285.348 -1.108 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C(N)=O ZINC001277290981 780450547 /nfs/dbraw/zinc/45/05/47/780450547.db2.gz OALDGZOTXYQBSV-NXEZZACHSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C(N)=O ZINC001277290985 780450733 /nfs/dbraw/zinc/45/07/33/780450733.db2.gz OALDGZOTXYQBSV-VHSXEESVSA-N 1 0 282.344 -1.516 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228320211 780450958 /nfs/dbraw/zinc/45/09/58/780450958.db2.gz NBPMURKKPSYSJB-NXEZZACHSA-N 1 0 282.344 -1.209 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228912197 780453379 /nfs/dbraw/zinc/45/33/79/780453379.db2.gz NCMWZMIHSYGQCE-VIFPVBQESA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230620751 780458057 /nfs/dbraw/zinc/45/80/57/780458057.db2.gz AMOHNISCBQHFPN-LBPRGKRZSA-N 1 0 296.371 -1.043 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)COC ZINC001230944907 780462925 /nfs/dbraw/zinc/46/29/25/780462925.db2.gz QQMLQKWBMQEVSP-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)CNC(C)=O ZINC001231268639 780464339 /nfs/dbraw/zinc/46/43/39/780464339.db2.gz GDELRMRIIMDHMC-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001278077040 780505529 /nfs/dbraw/zinc/50/55/29/780505529.db2.gz FAWALGKGXWFLAC-NEPJUHHUSA-N 1 0 272.345 -1.280 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)CNC(C)=O ZINC001231285849 780465676 /nfs/dbraw/zinc/46/56/76/780465676.db2.gz WUMBIKCBXAKGFT-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001278105370 780507126 /nfs/dbraw/zinc/50/71/26/780507126.db2.gz IWLKIDHMYWTDEM-RKDXNWHRSA-N 1 0 264.347 -1.328 20 30 CAEDRO C#CC[NH2+]CCCOCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001277608840 780470116 /nfs/dbraw/zinc/47/01/16/780470116.db2.gz QTZJRQHYPRYNQD-UHFFFAOYSA-N 1 0 295.339 -1.215 20 30 CAEDRO C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001277608051 780470562 /nfs/dbraw/zinc/47/05/62/780470562.db2.gz COLMEBGAUTWZOW-JTQLQIEISA-N 1 0 296.327 -1.670 20 30 CAEDRO COCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277785390 780471390 /nfs/dbraw/zinc/47/13/90/780471390.db2.gz IWQVCHHYYPXZFL-JTQLQIEISA-N 1 0 268.317 -1.147 20 30 CAEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1C(=O)CNC1=O ZINC001277725670 780471516 /nfs/dbraw/zinc/47/15/16/780471516.db2.gz AOQXSKFPAVPZDB-LLVKDONJSA-N 1 0 292.339 -1.002 20 30 CAEDRO COCC#CC[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705758 780473005 /nfs/dbraw/zinc/47/30/05/780473005.db2.gz MRSFHTSIXFXATO-UHFFFAOYSA-N 1 0 270.333 -1.257 20 30 CAEDRO C[N@H+](CCCNC(=O)CNC(N)=O)CC(=O)NCC#N ZINC001233705877 780473206 /nfs/dbraw/zinc/47/32/06/780473206.db2.gz ORQVKJYNBPAPKO-UHFFFAOYSA-N 1 0 284.320 -2.267 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H](C)NC(C)=O ZINC001233581418 780474077 /nfs/dbraw/zinc/47/40/77/780474077.db2.gz XAFOWVNXBCQSNL-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233722490 780474857 /nfs/dbraw/zinc/47/48/57/780474857.db2.gz NZVSZEDTSNGYRV-SNVBAGLBSA-N 1 0 299.375 -1.217 20 30 CAEDRO C[N@H+](CCCNC(=O)Cn1cnnn1)CC(=O)NCC#N ZINC001233775381 780475293 /nfs/dbraw/zinc/47/52/93/780475293.db2.gz UVKDTUAGDHVJFG-UHFFFAOYSA-N 1 0 294.319 -2.249 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233722117 780475489 /nfs/dbraw/zinc/47/54/89/780475489.db2.gz MCCIOXHRTHWWFG-JTQLQIEISA-N 1 0 297.359 -1.769 20 30 CAEDRO COCC#CC[N@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233749237 780475577 /nfs/dbraw/zinc/47/55/77/780475577.db2.gz AJAOEZQJWIRASE-UHFFFAOYSA-N 1 0 280.332 -1.239 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CC(=O)NC ZINC001233881808 780477454 /nfs/dbraw/zinc/47/74/54/780477454.db2.gz TZCLDEKQDDKCLW-NSHDSACASA-N 1 0 294.355 -1.595 20 30 CAEDRO C[C@@H](CN(C)C(=O)Cn1ncnn1)[NH2+]CC(=O)NCC#N ZINC001277819900 780478746 /nfs/dbraw/zinc/47/87/46/780478746.db2.gz RVDGVKDHZHKUJK-VIFPVBQESA-N 1 0 294.319 -2.251 20 30 CAEDRO C[N@H+](CCCNC(=O)[C@H]1COCCO1)CC(=O)NCC#N ZINC001234225662 780480073 /nfs/dbraw/zinc/48/00/73/780480073.db2.gz RPGCKCBEBNYEGH-LLVKDONJSA-N 1 0 298.343 -1.520 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1COCCO1 ZINC001234223687 780480467 /nfs/dbraw/zinc/48/04/67/780480467.db2.gz BSEKPXDDBKCPFU-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)CNC(=O)OC ZINC001234497430 780485543 /nfs/dbraw/zinc/48/55/43/780485543.db2.gz QTKUBHBSGUZOKE-UHFFFAOYSA-N 1 0 298.343 -1.470 20 30 CAEDRO COC(=O)NCC(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001234490331 780485629 /nfs/dbraw/zinc/48/56/29/780485629.db2.gz VLZZCOWQVJMSTO-UHFFFAOYSA-N 1 0 299.331 -1.580 20 30 CAEDRO C[C@@H](CN(C)C(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001277854109 780485962 /nfs/dbraw/zinc/48/59/62/780485962.db2.gz LCCIKENTHOZDGR-VIFPVBQESA-N 1 0 297.359 -1.426 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001277920581 780488453 /nfs/dbraw/zinc/48/84/53/780488453.db2.gz AEYBJYDZTNIDAQ-VHSXEESVSA-N 1 0 297.359 -1.594 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001277920582 780488507 /nfs/dbraw/zinc/48/85/07/780488507.db2.gz AEYBJYDZTNIDAQ-ZJUUUORDSA-N 1 0 297.359 -1.594 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001277932038 780491065 /nfs/dbraw/zinc/49/10/65/780491065.db2.gz CASVVJDYZCDRMU-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001235745770 780493837 /nfs/dbraw/zinc/49/38/37/780493837.db2.gz PHUSVNXYDIVXNT-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C=CCOCC(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001235682856 780494608 /nfs/dbraw/zinc/49/46/08/780494608.db2.gz DAAQQFZPJKGHOO-UHFFFAOYSA-N 1 0 286.332 -1.178 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001278001565 780497458 /nfs/dbraw/zinc/49/74/58/780497458.db2.gz BCTHECTWEQDMND-JTQLQIEISA-N 1 0 279.344 -1.040 20 30 CAEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CS(=O)(=O)NC ZINC001278018068 780498573 /nfs/dbraw/zinc/49/85/73/780498573.db2.gz VERAFENNDUESBN-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(C)=O)C1=O ZINC001278033377 780498617 /nfs/dbraw/zinc/49/86/17/780498617.db2.gz GQDOEZCMZHTTLJ-WDEREUQCSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001278047541 780500889 /nfs/dbraw/zinc/50/08/89/780500889.db2.gz FJOPWCYLPYXACD-NWDGAFQWSA-N 1 0 297.355 -1.628 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)OC ZINC001278049284 780502216 /nfs/dbraw/zinc/50/22/16/780502216.db2.gz XCNUEPVFOMZONO-GHMZBOCLSA-N 1 0 258.318 -1.262 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC(N)=O ZINC001278053125 780502469 /nfs/dbraw/zinc/50/24/69/780502469.db2.gz BLZJRFYYTJWSMZ-MRVPVSSYSA-N 1 0 270.289 -3.322 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001278060535 780503050 /nfs/dbraw/zinc/50/30/50/780503050.db2.gz FHTQHXSLPZJYGU-SNVBAGLBSA-N 1 0 265.317 -1.173 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cncnc1 ZINC001278071861 780503087 /nfs/dbraw/zinc/50/30/87/780503087.db2.gz QQZRKXQBQBLCCS-GFCCVEGCSA-N 1 0 278.312 -1.193 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1=CCOCC1 ZINC001278069953 780503342 /nfs/dbraw/zinc/50/33/42/780503342.db2.gz FCQOYGMGGLZHEL-LLVKDONJSA-N 1 0 296.327 -1.960 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cncnc1 ZINC001278071862 780503587 /nfs/dbraw/zinc/50/35/87/780503587.db2.gz QQZRKXQBQBLCCS-LBPRGKRZSA-N 1 0 278.312 -1.193 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001278060534 780503832 /nfs/dbraw/zinc/50/38/32/780503832.db2.gz FHTQHXSLPZJYGU-JTQLQIEISA-N 1 0 265.317 -1.173 20 30 CAEDRO C/C=C(/C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001278063028 780503848 /nfs/dbraw/zinc/50/38/48/780503848.db2.gz XXPXJWLWNYFEDF-BNFOFFDWSA-N 1 0 268.317 -1.341 20 30 CAEDRO C/C=C(/C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001278063029 780503981 /nfs/dbraw/zinc/50/39/81/780503981.db2.gz XXPXJWLWNYFEDF-KSXVILFYSA-N 1 0 268.317 -1.341 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(=O)CC ZINC001278085359 780504488 /nfs/dbraw/zinc/50/44/88/780504488.db2.gz NFPNSUQVXYTTDB-VHSXEESVSA-N 1 0 255.318 -1.399 20 30 CAEDRO C[C@H]([NH2+][C@H](CO)CNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001278077012 780504523 /nfs/dbraw/zinc/50/45/23/780504523.db2.gz DQQVFEXILSKLCQ-WPRPVWTQSA-N 1 0 296.327 -1.950 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001278072887 780504532 /nfs/dbraw/zinc/50/45/32/780504532.db2.gz VRXPQIUOYLAVSH-ZDUSSCGKSA-N 1 0 299.371 -1.965 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnnn1CC ZINC001278077598 780504570 /nfs/dbraw/zinc/50/45/70/780504570.db2.gz LUEABBZERXHRDO-VIFPVBQESA-N 1 0 251.290 -1.389 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnc(N(C)C)cn1 ZINC001278078693 780504595 /nfs/dbraw/zinc/50/45/95/780504595.db2.gz YWVMVLZIIXAUKK-SNVBAGLBSA-N 1 0 277.328 -1.144 20 30 CAEDRO C#CCOCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001278078449 780504635 /nfs/dbraw/zinc/50/46/35/780504635.db2.gz WOWKKPGYYGFKKB-NEPJUHHUSA-N 1 0 297.355 -1.628 20 30 CAEDRO C[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001278077009 780504657 /nfs/dbraw/zinc/50/46/57/780504657.db2.gz DQQVFEXILSKLCQ-SCZZXKLOSA-N 1 0 296.327 -1.950 20 30 CAEDRO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001278078269 780504669 /nfs/dbraw/zinc/50/46/69/780504669.db2.gz UQIDNZSEFACRST-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1N ZINC001278073086 780504743 /nfs/dbraw/zinc/50/47/43/780504743.db2.gz YFZURRULERYGHL-VIFPVBQESA-N 1 0 265.317 -1.294 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)NC(N)=O ZINC001278077625 780504765 /nfs/dbraw/zinc/50/47/65/780504765.db2.gz MEBPAGOXOLJNKQ-IUCAKERBSA-N 1 0 256.306 -1.867 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(=O)CC ZINC001278085357 780505020 /nfs/dbraw/zinc/50/50/20/780505020.db2.gz NFPNSUQVXYTTDB-NXEZZACHSA-N 1 0 255.318 -1.399 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(=O)CC ZINC001278085480 780505324 /nfs/dbraw/zinc/50/53/24/780505324.db2.gz PFDUFEYRCXZPEL-GHMZBOCLSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCOCCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001278078450 780505470 /nfs/dbraw/zinc/50/54/70/780505470.db2.gz WOWKKPGYYGFKKB-NWDGAFQWSA-N 1 0 297.355 -1.628 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278105693 780506692 /nfs/dbraw/zinc/50/66/92/780506692.db2.gz LYMIWADKISWABG-SNVBAGLBSA-N 1 0 276.358 -1.326 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001278111586 780506941 /nfs/dbraw/zinc/50/69/41/780506941.db2.gz CDGPEEXWFUTRLH-VHSXEESVSA-N 1 0 276.358 -1.326 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001278104951 780507171 /nfs/dbraw/zinc/50/71/71/780507171.db2.gz CHJNRPRXWWFLMD-VIFPVBQESA-N 1 0 262.331 -1.879 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001278129580 780507803 /nfs/dbraw/zinc/50/78/03/780507803.db2.gz OMMBXGPNJAACQL-MNOVXSKESA-N 1 0 285.344 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1csnn1 ZINC001278120119 780508086 /nfs/dbraw/zinc/50/80/86/780508086.db2.gz RAXXINIQPXLBNM-QMMMGPOBSA-N 1 0 297.340 -2.032 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1coc(OC)n1 ZINC001278120475 780508150 /nfs/dbraw/zinc/50/81/50/780508150.db2.gz UNWLAEPEWVRONH-MRVPVSSYSA-N 1 0 253.258 -1.003 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001278140006 780509244 /nfs/dbraw/zinc/50/92/44/780509244.db2.gz XLUSGMQJDXQIHV-QMMMGPOBSA-N 1 0 252.278 -2.086 20 30 CAEDRO C=C1CC(C)(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001278147327 780509356 /nfs/dbraw/zinc/50/93/56/780509356.db2.gz LCGAWUQQGSMPQO-VIFPVBQESA-N 1 0 298.343 -1.396 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001278139998 780509591 /nfs/dbraw/zinc/50/95/91/780509591.db2.gz XLUSGMQJDXQIHV-MRVPVSSYSA-N 1 0 252.278 -2.086 20 30 CAEDRO C[NH+](C)CC1(C(=O)NC[C@H](CO)NCC#N)CC1 ZINC001278136893 780510158 /nfs/dbraw/zinc/51/01/58/780510158.db2.gz BJLDNUMWQUNTHI-SNVBAGLBSA-N 1 0 254.334 -1.082 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1CC ZINC001278156421 780510932 /nfs/dbraw/zinc/51/09/32/780510932.db2.gz XBYDFQKBURAVTR-GRYCIOLGSA-N 1 0 281.356 -1.151 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC12CCC2 ZINC001278164953 780510941 /nfs/dbraw/zinc/51/09/41/780510941.db2.gz QHXKWDRMOAVVFJ-WDEREUQCSA-N 1 0 294.355 -1.117 20 30 CAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001278171825 780510948 /nfs/dbraw/zinc/51/09/48/780510948.db2.gz MUEYBIXBXSOKTA-SCVCMEIPSA-N 1 0 285.344 -1.480 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC12CCC2 ZINC001278164951 780510987 /nfs/dbraw/zinc/51/09/87/780510987.db2.gz QHXKWDRMOAVVFJ-MNOVXSKESA-N 1 0 294.355 -1.117 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001278172670 780511014 /nfs/dbraw/zinc/51/10/14/780511014.db2.gz XJNLDYFGCLWCBE-MRVPVSSYSA-N 1 0 283.288 -1.948 20 30 CAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001278171822 780511046 /nfs/dbraw/zinc/51/10/46/780511046.db2.gz MUEYBIXBXSOKTA-NHCYSSNCSA-N 1 0 285.344 -1.480 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001278172676 780511199 /nfs/dbraw/zinc/51/11/99/780511199.db2.gz XJNLDYFGCLWCBE-QMMMGPOBSA-N 1 0 283.288 -1.948 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccnn1 ZINC001278171368 780511320 /nfs/dbraw/zinc/51/13/20/780511320.db2.gz FUVKGTDOEXMALF-SNVBAGLBSA-N 1 0 291.311 -2.094 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001278164785 780511402 /nfs/dbraw/zinc/51/14/02/780511402.db2.gz NDJSNEGABRQIFQ-LBPRGKRZSA-N 1 0 280.328 -1.331 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001278155280 780511487 /nfs/dbraw/zinc/51/14/87/780511487.db2.gz OPVCIUVFNOLUOJ-GFCCVEGCSA-N 1 0 295.343 -1.546 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001278156233 780511584 /nfs/dbraw/zinc/51/15/84/780511584.db2.gz WGMLVEWPCQWVKR-MFKMUULPSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC12CCC2 ZINC001278164668 780511657 /nfs/dbraw/zinc/51/16/57/780511657.db2.gz KNIBZTVDWFJVNM-NEPJUHHUSA-N 1 0 293.367 -1.007 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001278156438 780511693 /nfs/dbraw/zinc/51/16/93/780511693.db2.gz XIWFEOVEYHDEOR-BBBLOLIVSA-N 1 0 255.318 -1.249 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC12CCC2 ZINC001278164670 780511724 /nfs/dbraw/zinc/51/17/24/780511724.db2.gz KNIBZTVDWFJVNM-RYUDHWBXSA-N 1 0 293.367 -1.007 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001278171372 780511913 /nfs/dbraw/zinc/51/19/13/780511913.db2.gz FZIAHIDDGCCRFE-VIFPVBQESA-N 1 0 252.278 -2.237 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001278156437 780511935 /nfs/dbraw/zinc/51/19/35/780511935.db2.gz XIWFEOVEYHDEOR-AEJSXWLSSA-N 1 0 255.318 -1.249 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1nccs1 ZINC001278172303 780511940 /nfs/dbraw/zinc/51/19/40/780511940.db2.gz SVWGUWOPYGYYTP-MRVPVSSYSA-N 1 0 297.340 -1.537 20 30 CAEDRO CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001278154592 780512037 /nfs/dbraw/zinc/51/20/37/780512037.db2.gz FOSWCPAFMSMIPL-OLZOCXBDSA-N 1 0 299.371 -1.382 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001278194793 780514797 /nfs/dbraw/zinc/51/47/97/780514797.db2.gz LPPXZJGKNSRCGN-SECBINFHSA-N 1 0 284.316 -1.867 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1ccc[nH]1 ZINC001278201832 780515042 /nfs/dbraw/zinc/51/50/42/780515042.db2.gz KGAFKOUNMHHKRY-LBPRGKRZSA-N 1 0 292.339 -1.627 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001278193989 780515053 /nfs/dbraw/zinc/51/50/53/780515053.db2.gz FQMHIUWRDSDFPN-VIFPVBQESA-N 1 0 293.327 -1.168 20 30 CAEDRO C#CCOCCOCCNS(=O)(=O)CC[NH3+] ZINC001238733586 780522685 /nfs/dbraw/zinc/52/26/85/780522685.db2.gz PEWUQPFBVIMXRI-UHFFFAOYSA-N 1 0 250.320 -1.469 20 30 CAEDRO C[C@@H](C#N)S(=O)(=O)N1CCNC[C@@]12CC[NH2+]C2 ZINC001239025653 780529149 /nfs/dbraw/zinc/52/91/49/780529149.db2.gz MEUNEZXYVXCEGX-UWVGGRQHSA-N 1 0 258.347 -1.134 20 30 CAEDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)[C@H](C)C#N ZINC001239120932 780531802 /nfs/dbraw/zinc/53/18/02/780531802.db2.gz JZDSRAHXMYQHKR-CSMHCCOUSA-N 1 0 261.303 -1.197 20 30 CAEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001278396769 780538385 /nfs/dbraw/zinc/53/83/85/780538385.db2.gz CDNJDDMBPKZENI-NXEZZACHSA-N 1 0 253.302 -1.300 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001278396773 780538599 /nfs/dbraw/zinc/53/85/99/780538599.db2.gz CDNJDDMBPKZENI-ZJUUUORDSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CCOC[C@H](O)CN[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245983502 780538860 /nfs/dbraw/zinc/53/88/60/780538860.db2.gz LANVFZIZASEFPN-JFGNBEQYSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CCOC[C@H](O)CN[C@@H](CCC[NH3+])C(=O)OC ZINC001246010179 780539070 /nfs/dbraw/zinc/53/90/70/780539070.db2.gz YAZBWXZAXYFFIC-MNOVXSKESA-N 1 0 258.318 -1.133 20 30 CAEDRO C#CCOC[C@@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246027605 780540909 /nfs/dbraw/zinc/54/09/09/780540909.db2.gz QBCWPSXDZSSKER-QWHCGFSZSA-N 1 0 253.346 -1.366 20 30 CAEDRO C#CCOC[C@H](O)CN1CCNC[C@]12CC[NH2+]C2 ZINC001246029070 780541316 /nfs/dbraw/zinc/54/13/16/780541316.db2.gz OZZMBTAPWUINJV-CHWSQXEVSA-N 1 0 253.346 -1.366 20 30 CAEDRO C#CCOC[C@@H](O)CN1CCNC[C@@]12CC[NH2+]C2 ZINC001246029076 780541807 /nfs/dbraw/zinc/54/18/07/780541807.db2.gz OZZMBTAPWUINJV-STQMWFEESA-N 1 0 253.346 -1.366 20 30 CAEDRO C=CCOC[C@H](O)CN1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001246054165 780542238 /nfs/dbraw/zinc/54/22/38/780542238.db2.gz XDOXGPWRJAABOT-MXWKQRLJSA-N 1 0 258.318 -1.018 20 30 CAEDRO C#CCOC[C@H](O)CN1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001246053942 780542262 /nfs/dbraw/zinc/54/22/62/780542262.db2.gz VNPIGWJTLULAFI-GMTAPVOTSA-N 1 0 256.302 -1.571 20 30 CAEDRO C#CCOC[C@H](O)CN1C[C@H]([NH3+])C[C@H]1C(=O)OC ZINC001246068788 780542311 /nfs/dbraw/zinc/54/23/11/780542311.db2.gz XIDRFFOCUBIRMZ-MXWKQRLJSA-N 1 0 256.302 -1.428 20 30 CAEDRO C#CCOC[C@H](O)CN1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246053949 780542539 /nfs/dbraw/zinc/54/25/39/780542539.db2.gz VNPIGWJTLULAFI-VWYCJHECSA-N 1 0 256.302 -1.571 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001251899986 780579608 /nfs/dbraw/zinc/57/96/08/780579608.db2.gz GQFIYMGPZKTYMW-IUCAKERBSA-N 1 0 257.290 -2.423 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCN1CC2(COC2)C1 ZINC001251893994 780579616 /nfs/dbraw/zinc/57/96/16/780579616.db2.gz OCEVEQWKAXLVGS-GFCCVEGCSA-N 1 0 254.330 -1.081 20 30 CAEDRO [NH2+]=C(NC[C@@H](O)CN1CCOCC1)c1ncc[nH]1 ZINC001251037036 780571739 /nfs/dbraw/zinc/57/17/39/780571739.db2.gz PLXCSRCRLRVZOV-SECBINFHSA-N 1 0 253.306 -1.192 20 30 CAEDRO [NH2+]=C(NC[C@H](O)CN1CCOCC1)c1ncc[nH]1 ZINC001251037041 780572032 /nfs/dbraw/zinc/57/20/32/780572032.db2.gz PLXCSRCRLRVZOV-VIFPVBQESA-N 1 0 253.306 -1.192 20 30 CAEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251042986 780572956 /nfs/dbraw/zinc/57/29/56/780572956.db2.gz KRBFDQADKBZNOU-AXFHLTTASA-N 1 0 273.333 -1.495 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(N)=O ZINC001251891647 780579735 /nfs/dbraw/zinc/57/97/35/780579735.db2.gz WTMHJRXPCOSBTG-STQMWFEESA-N 1 0 299.371 -1.253 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001251894271 780579674 /nfs/dbraw/zinc/57/96/74/780579674.db2.gz RIGXMDKTTSMFRJ-MNOVXSKESA-N 1 0 276.358 -1.379 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC001251900720 780579750 /nfs/dbraw/zinc/57/97/50/780579750.db2.gz YCUNHUKPKXUALO-VHSXEESVSA-N 1 0 272.301 -1.736 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001251903631 780579877 /nfs/dbraw/zinc/57/98/77/780579877.db2.gz MOUDTRJLGWOGME-RYUDHWBXSA-N 1 0 299.371 -1.397 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](CCC(=O)OC)C(N)=O ZINC001251900647 780579959 /nfs/dbraw/zinc/57/99/59/780579959.db2.gz WVWQQMCFLDWXCZ-UWVGGRQHSA-N 1 0 272.301 -1.606 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(N)=O ZINC001251891646 780580019 /nfs/dbraw/zinc/58/00/19/780580019.db2.gz WTMHJRXPCOSBTG-OLZOCXBDSA-N 1 0 299.371 -1.253 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001251904138 780580038 /nfs/dbraw/zinc/58/00/38/780580038.db2.gz VOWUSSRKUISXAE-NSHDSACASA-N 1 0 276.358 -1.378 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCN1CC2(COC2)C1 ZINC001251893995 780580087 /nfs/dbraw/zinc/58/00/87/780580087.db2.gz OCEVEQWKAXLVGS-LBPRGKRZSA-N 1 0 254.330 -1.081 20 30 CAEDRO CN1C(=O)CC[C@H](NC(=O)NCC#CC[NH+](C)C)C1=O ZINC001252107312 780583675 /nfs/dbraw/zinc/58/36/75/780583675.db2.gz DZVSVMBPHHJZOU-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C=C[C@@](C)(O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001252584712 780588212 /nfs/dbraw/zinc/58/82/12/780588212.db2.gz DQWHVTIBFCCJIY-LLVKDONJSA-N 1 0 272.305 -2.769 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC ZINC001278703622 780592013 /nfs/dbraw/zinc/59/20/13/780592013.db2.gz KLSPOLGZZKWPLR-JTQLQIEISA-N 1 0 255.318 -1.445 20 30 CAEDRO C=C[C@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001253609632 780593359 /nfs/dbraw/zinc/59/33/59/780593359.db2.gz WQMGHUQJQVJUKD-JTQLQIEISA-N 1 0 296.327 -1.490 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001278732760 780593468 /nfs/dbraw/zinc/59/34/68/780593468.db2.gz WVWYXRHNQLPQQY-LLVKDONJSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=C[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCC(=O)OCC ZINC001253607694 780593501 /nfs/dbraw/zinc/59/35/01/780593501.db2.gz CWYZJKLEIDYNPP-SECBINFHSA-N 1 0 287.316 -2.082 20 30 CAEDRO C=C[C@@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001253610130 780593517 /nfs/dbraw/zinc/59/35/17/780593517.db2.gz AYFFCXHLXQODKZ-ZJUUUORDSA-N 1 0 298.343 -2.285 20 30 CAEDRO C=C[C@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001253610129 780593549 /nfs/dbraw/zinc/59/35/49/780593549.db2.gz AYFFCXHLXQODKZ-UWVGGRQHSA-N 1 0 298.343 -2.285 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ccc[nH]1 ZINC001278731780 780593800 /nfs/dbraw/zinc/59/38/00/780593800.db2.gz MHFXQQAOPLWFSS-SNVBAGLBSA-N 1 0 293.327 -1.323 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278737568 780594600 /nfs/dbraw/zinc/59/46/00/780594600.db2.gz QAAPORWHTRTVDL-VIFPVBQESA-N 1 0 284.316 -2.980 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278737567 780595047 /nfs/dbraw/zinc/59/50/47/780595047.db2.gz QAAPORWHTRTVDL-SECBINFHSA-N 1 0 284.316 -2.980 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(CCOC)nn1 ZINC001278756900 780597177 /nfs/dbraw/zinc/59/71/77/780597177.db2.gz WPTAAJDNQFYIAY-NSHDSACASA-N 1 0 295.343 -1.420 20 30 CAEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001278756544 780597999 /nfs/dbraw/zinc/59/79/99/780597999.db2.gz QUHBWLQMJQTNFS-SNVBAGLBSA-N 1 0 255.318 -1.460 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278756298 780598079 /nfs/dbraw/zinc/59/80/79/780598079.db2.gz NLWFLIDAINOCCT-QWHCGFSZSA-N 1 0 284.356 -1.184 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278761640 780598621 /nfs/dbraw/zinc/59/86/21/780598621.db2.gz GTBGTOWGLJVQNI-NSHDSACASA-N 1 0 288.369 -1.537 20 30 CAEDRO C=CCOCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001278766146 780600728 /nfs/dbraw/zinc/60/07/28/780600728.db2.gz HASHYDHIERINIU-FZMZJTMJSA-N 1 0 299.371 -1.124 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001278768117 780600938 /nfs/dbraw/zinc/60/09/38/780600938.db2.gz OIDQLLYPTIZTGC-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001278797644 780606400 /nfs/dbraw/zinc/60/64/00/780606400.db2.gz KDMSFILCAVMJLN-VIFPVBQESA-N 1 0 253.302 -1.706 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001278799408 780606474 /nfs/dbraw/zinc/60/64/74/780606474.db2.gz AIZMKLKJTYSGCD-JOYOIKCWSA-N 1 0 266.301 -2.146 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001278805085 780607167 /nfs/dbraw/zinc/60/71/67/780607167.db2.gz IKHDRBGLJKNPOR-AWEZNQCLSA-N 1 0 290.323 -1.087 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001278805086 780607487 /nfs/dbraw/zinc/60/74/87/780607487.db2.gz IKHDRBGLJKNPOR-CQSZACIVSA-N 1 0 290.323 -1.087 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001278832265 780610295 /nfs/dbraw/zinc/61/02/95/780610295.db2.gz JOCRSVCBQMWGRL-JTQLQIEISA-N 1 0 280.328 -1.011 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001278832266 780610512 /nfs/dbraw/zinc/61/05/12/780610512.db2.gz JOCRSVCBQMWGRL-SNVBAGLBSA-N 1 0 280.328 -1.011 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001278839291 780611149 /nfs/dbraw/zinc/61/11/49/780611149.db2.gz OUSINQKDQLRUKL-NEPJUHHUSA-N 1 0 296.371 -1.038 20 30 CAEDRO O=C[C@H]([NH2+]C1CCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255032214 780611477 /nfs/dbraw/zinc/61/14/77/780611477.db2.gz NCFFEGAJEPTVTD-LNFKQOIKSA-N 1 0 263.290 -2.603 20 30 CAEDRO CC1(C)C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CCO1 ZINC001255526464 780615175 /nfs/dbraw/zinc/61/51/75/780615175.db2.gz TZWNBQLYBQUTNJ-IYKVGLELSA-N 1 0 291.344 -1.824 20 30 CAEDRO C[NH+]1CCC(OCC(=O)NCC2(O)CN(CC#N)C2)CC1 ZINC001278919000 780621318 /nfs/dbraw/zinc/62/13/18/780621318.db2.gz KAYWMCUBWOZRTD-UHFFFAOYSA-N 1 0 296.371 -1.216 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001278991580 780626847 /nfs/dbraw/zinc/62/68/47/780626847.db2.gz JUYBMKFLNBIYMV-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO C[C@H]1CC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](C)O1 ZINC001257074693 780626941 /nfs/dbraw/zinc/62/69/41/780626941.db2.gz SRLCMLNVOCWCCC-BXBGQAARSA-N 1 0 291.344 -1.826 20 30 CAEDRO C[C@@H]1CC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H](C)O1 ZINC001257074695 780627514 /nfs/dbraw/zinc/62/75/14/780627514.db2.gz SRLCMLNVOCWCCC-RXSOLEHHSA-N 1 0 291.344 -1.826 20 30 CAEDRO C[C@@H](CC1CC1)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258450028 780634056 /nfs/dbraw/zinc/63/40/56/780634056.db2.gz CSBGEPWARWRGHJ-KXMNOHPDSA-N 1 0 261.318 -1.593 20 30 CAEDRO CC1(C)CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001258594950 780634061 /nfs/dbraw/zinc/63/40/61/780634061.db2.gz OQHDAXVKBAYYTK-PREPNJAASA-N 1 0 275.345 -1.203 20 30 CAEDRO C[C@@H]1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001258807727 780634838 /nfs/dbraw/zinc/63/48/38/780634838.db2.gz KAJZJIJKVQWCPZ-OJEZURLMSA-N 1 0 275.345 -1.203 20 30 CAEDRO C[C@H]1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001258807710 780635110 /nfs/dbraw/zinc/63/51/10/780635110.db2.gz KAJZJIJKVQWCPZ-DVWMECQTSA-N 1 0 275.345 -1.203 20 30 CAEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001258722215 780635210 /nfs/dbraw/zinc/63/52/10/780635210.db2.gz MWHOQIAMDRNHBJ-OJEYFTNHSA-N 1 0 261.318 -1.269 20 30 CAEDRO CN1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@@H](C[NH3+])C1 ZINC001261425246 780663016 /nfs/dbraw/zinc/66/30/16/780663016.db2.gz STRPWPOSKCGYQK-GXFFZTMASA-N 1 0 297.334 -1.448 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001261494740 780667531 /nfs/dbraw/zinc/66/75/31/780667531.db2.gz BWIHDEKAWMJIHA-NKWVEPMBSA-N 1 0 265.233 -1.586 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCc1ncn(C)n1 ZINC001261566541 780672825 /nfs/dbraw/zinc/67/28/25/780672825.db2.gz NWWCUSZHBVWVTQ-UHFFFAOYSA-N 1 0 281.364 -1.188 20 30 CAEDRO N#CCNC(=O)CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC001261632271 780673878 /nfs/dbraw/zinc/67/38/78/780673878.db2.gz VSXBFPGAYNMEIF-UHFFFAOYSA-N 1 0 251.290 -1.241 20 30 CAEDRO C=CCn1cc(CNC(=O)c2cn(CC[NH3+])nn2)nn1 ZINC001261631699 780673947 /nfs/dbraw/zinc/67/39/47/780673947.db2.gz CANNBTQGVXOGGA-UHFFFAOYSA-N 1 0 276.304 -1.056 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261635688 780675079 /nfs/dbraw/zinc/67/50/79/780675079.db2.gz MNBSKOHQYUPOMQ-CVZZAPKMSA-N 1 0 277.324 -1.285 20 30 CAEDRO N#CCCCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001261821227 780686798 /nfs/dbraw/zinc/68/67/98/780686798.db2.gz UWBIQDSRVAAAFK-JTQLQIEISA-N 1 0 268.317 -1.099 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)nn1 ZINC001261822441 780687050 /nfs/dbraw/zinc/68/70/50/780687050.db2.gz ZVKQRGSPKUDHFC-SECBINFHSA-N 1 0 278.316 -1.442 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001261823743 780687228 /nfs/dbraw/zinc/68/72/28/780687228.db2.gz HJLXWAYAINGRFJ-GFCCVEGCSA-N 1 0 277.324 -1.424 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001262204503 780704425 /nfs/dbraw/zinc/70/44/25/780704425.db2.gz UVOCXMBWRURJRQ-GFCCVEGCSA-N 1 0 294.355 -2.132 20 30 CAEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C1 ZINC001262488531 780711730 /nfs/dbraw/zinc/71/17/30/780711730.db2.gz FCCFTINSSGCLOR-GXFFZTMASA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001262544010 780713690 /nfs/dbraw/zinc/71/36/90/780713690.db2.gz QFQRTTJEHLZVGA-LLVKDONJSA-N 1 0 283.328 -1.801 20 30 CAEDRO C=CCNC(=O)CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001263113464 780721607 /nfs/dbraw/zinc/72/16/07/780721607.db2.gz JWZUHBLUMURREI-GFCCVEGCSA-N 1 0 255.318 -1.091 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(c2nncn2C)CC1 ZINC001263152359 780722381 /nfs/dbraw/zinc/72/23/81/780722381.db2.gz GNLOPBPVRZZQRR-UHFFFAOYSA-N 1 0 262.317 -1.314 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001263833543 780731599 /nfs/dbraw/zinc/73/15/99/780731599.db2.gz DQFFLISSMHXVSF-PHIMTYICSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001263871632 780732786 /nfs/dbraw/zinc/73/27/86/780732786.db2.gz LYCWYERTQNFOQK-KYZUINATSA-N 1 0 266.301 -2.295 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001263875597 780733164 /nfs/dbraw/zinc/73/31/64/780733164.db2.gz YZDRBUDABZIZFQ-KYZUINATSA-N 1 0 291.315 -1.458 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001264154396 780734455 /nfs/dbraw/zinc/73/44/55/780734455.db2.gz WBTLKRFTJDRSAQ-ZJUUUORDSA-N 1 0 288.373 -1.748 20 30 CAEDRO C[C@@H]1CCN(C(=O)C(N)=O)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264000259 780734601 /nfs/dbraw/zinc/73/46/01/780734601.db2.gz KFFQEBPTOCSGSX-ZJUUUORDSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001264149152 780734706 /nfs/dbraw/zinc/73/47/06/780734706.db2.gz WEPXCWMUPAUNFR-PWSUYJOCSA-N 1 0 294.355 -1.549 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC(N)=O)C1 ZINC001264387283 780737487 /nfs/dbraw/zinc/73/74/87/780737487.db2.gz JSKXQTMOXIMKCB-AOOOYVTPSA-N 1 0 282.344 -1.352 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001265035856 780741557 /nfs/dbraw/zinc/74/15/57/780741557.db2.gz UBCSGZMQLOAGJS-UHFFFAOYSA-N 1 0 299.356 -1.258 20 30 CAEDRO C=CCN1CC[NH+](CCCNC(=O)Cn2ncnn2)CC1 ZINC001265243003 780743964 /nfs/dbraw/zinc/74/39/64/780743964.db2.gz AZCVQDPEEZZOGK-UHFFFAOYSA-N 1 0 293.375 -1.017 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001265305661 780747108 /nfs/dbraw/zinc/74/71/08/780747108.db2.gz BGFNSQOUISUJJD-JTQLQIEISA-N 1 0 290.389 -1.241 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001265305662 780747294 /nfs/dbraw/zinc/74/72/94/780747294.db2.gz BGFNSQOUISUJJD-SNVBAGLBSA-N 1 0 290.389 -1.241 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001265308479 780747386 /nfs/dbraw/zinc/74/73/86/780747386.db2.gz SYEKAEJAYQKINV-LLVKDONJSA-N 1 0 290.323 -1.250 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001265331472 780748251 /nfs/dbraw/zinc/74/82/51/780748251.db2.gz AWBUGLOALSAUHX-SNVBAGLBSA-N 1 0 292.339 -1.808 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)COC)C1CC1 ZINC001265342968 780748938 /nfs/dbraw/zinc/74/89/38/780748938.db2.gz CDIFIVXRKHHGJT-NSHDSACASA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001265484383 780750758 /nfs/dbraw/zinc/75/07/58/780750758.db2.gz CFQDTMBKCVCOAY-XYPYZODXSA-N 1 0 280.328 -1.891 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001265489457 780750798 /nfs/dbraw/zinc/75/07/98/780750798.db2.gz HEOWPCDCUDDORB-GMTAPVOTSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001265475391 780751200 /nfs/dbraw/zinc/75/12/00/780751200.db2.gz JWJWBVKAPVASNY-OPRDCNLKSA-N 1 0 294.311 -1.919 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001265497909 780751339 /nfs/dbraw/zinc/75/13/39/780751339.db2.gz XFWVNZMVICUERR-MGCOHNPYSA-N 1 0 288.373 -1.748 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001265483508 780751398 /nfs/dbraw/zinc/75/13/98/780751398.db2.gz YJAPNDSRAHABRR-GUBZILKMSA-N 1 0 278.312 -1.155 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001265475825 780751492 /nfs/dbraw/zinc/75/14/92/780751492.db2.gz QXKDLZFCHIFINA-RVBZMBCESA-N 1 0 298.343 -1.255 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001265474966 780751533 /nfs/dbraw/zinc/75/15/33/780751533.db2.gz BEBLKNQVDOYJMT-KYZUINATSA-N 1 0 276.300 -1.100 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001265554416 780752241 /nfs/dbraw/zinc/75/22/41/780752241.db2.gz REHOHWDJKRFASY-OCAPTIKFSA-N 1 0 252.274 -2.542 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC001265506305 780752274 /nfs/dbraw/zinc/75/22/74/780752274.db2.gz WDUQLMVDVFDFJX-XYPYZODXSA-N 1 0 290.327 -1.736 20 30 CAEDRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001265527462 780752424 /nfs/dbraw/zinc/75/24/24/780752424.db2.gz ASRZFMKBBZCZHR-PHIMTYICSA-N 1 0 290.327 -1.090 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)COC)C1 ZINC001265526414 780752512 /nfs/dbraw/zinc/75/25/12/780752512.db2.gz ZXZGZPQMOYCKQY-AOOOYVTPSA-N 1 0 253.302 -1.381 20 30 CAEDRO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001265531160 780752690 /nfs/dbraw/zinc/75/26/90/780752690.db2.gz AOFGCVXSUMYKAZ-AOOOYVTPSA-N 1 0 298.343 -1.119 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001265537161 780752887 /nfs/dbraw/zinc/75/28/87/780752887.db2.gz MSSYWCHHZYTGKP-OUAUKWLOSA-N 1 0 281.312 -1.019 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001265550361 780753073 /nfs/dbraw/zinc/75/30/73/780753073.db2.gz BJTYMPSEAQFHPH-PHIMTYICSA-N 1 0 277.328 -1.158 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001265635443 780754495 /nfs/dbraw/zinc/75/44/95/780754495.db2.gz XGKCILWABJQCSB-LLVKDONJSA-N 1 0 292.339 -1.000 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)CS(C)(=O)=O ZINC001265757220 780755690 /nfs/dbraw/zinc/75/56/90/780755690.db2.gz RUCDKYSKSFVQRP-SNVBAGLBSA-N 1 0 276.358 -1.225 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001265757212 780755940 /nfs/dbraw/zinc/75/59/40/780755940.db2.gz RUCDKYSKSFVQRP-JTQLQIEISA-N 1 0 276.358 -1.225 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC(=O)NCC ZINC001265769420 780756631 /nfs/dbraw/zinc/75/66/31/780756631.db2.gz UZDVUPKCXIFPOG-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001265759004 780757394 /nfs/dbraw/zinc/75/73/94/780757394.db2.gz NMFUAHMHXANENK-VHSXEESVSA-N 1 0 280.328 -1.891 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CNC(=O)NC ZINC001265781622 780757406 /nfs/dbraw/zinc/75/74/06/780757406.db2.gz IOIYTUZAMKYOCZ-VHSXEESVSA-N 1 0 299.375 -1.300 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001265814604 780757850 /nfs/dbraw/zinc/75/78/50/780757850.db2.gz BETOVCJYYXVPJD-MRVPVSSYSA-N 1 0 269.305 -1.221 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001265793974 780758479 /nfs/dbraw/zinc/75/84/79/780758479.db2.gz DVEJMAVEMPFZLN-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001265782770 780758855 /nfs/dbraw/zinc/75/88/55/780758855.db2.gz CAMFCEMYBDWRPV-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001265782769 780758915 /nfs/dbraw/zinc/75/89/15/780758915.db2.gz CAMFCEMYBDWRPV-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)CC(N)=O ZINC001265817163 780759308 /nfs/dbraw/zinc/75/93/08/780759308.db2.gz LNSHRABCVKCLAB-JTQLQIEISA-N 1 0 282.344 -1.562 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001265822915 780759600 /nfs/dbraw/zinc/75/96/00/780759600.db2.gz APJSCIOFCMVQAW-MXWKQRLJSA-N 1 0 267.329 -1.148 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001265819093 780760146 /nfs/dbraw/zinc/76/01/46/780760146.db2.gz YLSKVZXFXGQFEW-UWVGGRQHSA-N 1 0 294.355 -1.516 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001265824230 780760185 /nfs/dbraw/zinc/76/01/85/780760185.db2.gz RPTGCJNIGUGROC-ZETCQYMHSA-N 1 0 287.345 -1.049 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001265823877 780760494 /nfs/dbraw/zinc/76/04/94/780760494.db2.gz OAMLDNFNRGQOAG-QMMMGPOBSA-N 1 0 299.356 -1.212 20 30 CAEDRO COCC#CC[N@H+](C)CCCNC(=O)Cn1ncnn1 ZINC001265848103 780761173 /nfs/dbraw/zinc/76/11/73/780761173.db2.gz FFLQVMMQQBUWBI-UHFFFAOYSA-N 1 0 280.332 -1.239 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001265853920 780761197 /nfs/dbraw/zinc/76/11/97/780761197.db2.gz VBFBTRBICWMUPW-IUCAKERBSA-N 1 0 281.316 -2.001 20 30 CAEDRO C[C@H](CNC(=O)Cc1cncn1C)[NH2+]CC(=O)NCC#N ZINC001265852312 780761509 /nfs/dbraw/zinc/76/15/09/780761509.db2.gz ZQQVAFJDCXCBIV-SNVBAGLBSA-N 1 0 292.343 -1.303 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1nonc1C ZINC001265846459 780762079 /nfs/dbraw/zinc/76/20/79/780762079.db2.gz OCTRIZGQLJUAHP-SECBINFHSA-N 1 0 293.327 -1.236 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001265900520 780762773 /nfs/dbraw/zinc/76/27/73/780762773.db2.gz AKVUREGTVZMNDO-LLVKDONJSA-N 1 0 288.311 -1.080 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001265897376 780763349 /nfs/dbraw/zinc/76/33/49/780763349.db2.gz OWEHTPFQFRWXOO-VIFPVBQESA-N 1 0 266.301 -2.198 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001265865310 780763648 /nfs/dbraw/zinc/76/36/48/780763648.db2.gz YYUJLPGKMAJSTC-LLVKDONJSA-N 1 0 287.385 -1.556 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)c1cnn(C)n1 ZINC001265939147 780764499 /nfs/dbraw/zinc/76/44/99/780764499.db2.gz YTFQYPKXCZNXIT-UHFFFAOYSA-N 1 0 292.343 -1.384 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001265923641 780764742 /nfs/dbraw/zinc/76/47/42/780764742.db2.gz WYFFHVHVBOCMJB-UWVGGRQHSA-N 1 0 293.327 -2.047 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnon2)C1 ZINC001265936525 780764851 /nfs/dbraw/zinc/76/48/51/780764851.db2.gz WXMAMSPMKVXWMJ-VIFPVBQESA-N 1 0 277.284 -1.377 20 30 CAEDRO Cn1nnc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001265925230 780764860 /nfs/dbraw/zinc/76/48/60/780764860.db2.gz NDOKJKFJRHVPTB-QMMMGPOBSA-N 1 0 292.303 -2.346 20 30 CAEDRO C[N@H+](CCCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)NCC#N ZINC001265923194 780764900 /nfs/dbraw/zinc/76/49/00/780764900.db2.gz NGSMEYUJOIHHGO-ZJUUUORDSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001265912837 780764991 /nfs/dbraw/zinc/76/49/91/780764991.db2.gz PZKFEJCSDXGDAZ-JTQLQIEISA-N 1 0 294.355 -1.562 20 30 CAEDRO COCC#CC[N@H+](C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001265911567 780765242 /nfs/dbraw/zinc/76/52/42/780765242.db2.gz AAKWNVANJVTOPF-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CCC[N@H+](C)CCCNC(=O)CN1C(=O)CNC1=O ZINC001265968791 780766334 /nfs/dbraw/zinc/76/63/34/780766334.db2.gz NGVUWEKVWGJOHK-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001265989974 780766497 /nfs/dbraw/zinc/76/64/97/780766497.db2.gz KLIOJYWYLVFYCA-GFCCVEGCSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001266012341 780766991 /nfs/dbraw/zinc/76/69/91/780766991.db2.gz BAYBQRZAKMFZCN-VHSXEESVSA-N 1 0 250.302 -1.261 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001266012339 780767777 /nfs/dbraw/zinc/76/77/77/780767777.db2.gz BAYBQRZAKMFZCN-NXEZZACHSA-N 1 0 250.302 -1.261 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266034937 780767841 /nfs/dbraw/zinc/76/78/41/780767841.db2.gz UPGFKWXAQYTQGT-LLVKDONJSA-N 1 0 292.339 -1.048 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001266052986 780769143 /nfs/dbraw/zinc/76/91/43/780769143.db2.gz ZAVOEQUXMUYDCH-QWRGUYRKSA-N 1 0 294.355 -1.372 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C(N)=O ZINC001266172243 780770188 /nfs/dbraw/zinc/77/01/88/780770188.db2.gz CDDHOOCQABNGDH-MRVPVSSYSA-N 1 0 254.290 -2.295 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)c1nnn(C)n1 ZINC001266170373 780770387 /nfs/dbraw/zinc/77/03/87/780770387.db2.gz SBTSCGUWMLAUKZ-JTQLQIEISA-N 1 0 280.332 -1.042 20 30 CAEDRO C[C@H](CCNC(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)NCC#N ZINC001266172379 780770513 /nfs/dbraw/zinc/77/05/13/780770513.db2.gz FSEWYLXCWFGFCX-SECBINFHSA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001266149468 780770527 /nfs/dbraw/zinc/77/05/27/780770527.db2.gz WWEBXBLJZOSITR-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001266191729 780771329 /nfs/dbraw/zinc/77/13/29/780771329.db2.gz IMHWACOKZJFZHI-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)C(N)=O ZINC001266231765 780771619 /nfs/dbraw/zinc/77/16/19/780771619.db2.gz PNIUWXBRVQPBKH-JTQLQIEISA-N 1 0 295.343 -1.528 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266186952 780771748 /nfs/dbraw/zinc/77/17/48/780771748.db2.gz MQGGHCCJVGXMBJ-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001279510084 780773204 /nfs/dbraw/zinc/77/32/04/780773204.db2.gz UNNWRMLENXNTII-BXUZGUMPSA-N 1 0 294.355 -1.366 20 30 CAEDRO N#CCNC1CC[NH+](CCNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001279425026 780773225 /nfs/dbraw/zinc/77/32/25/780773225.db2.gz UUAZHEQWUWCANW-GFCCVEGCSA-N 1 0 293.371 -1.041 20 30 CAEDRO C#CCC[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)NC)C[C@H]2C1 ZINC001279409672 780773353 /nfs/dbraw/zinc/77/33/53/780773353.db2.gz IWDLKJLEDRYCNK-TXEJJXNPSA-N 1 0 299.396 -1.051 20 30 CAEDRO C=CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001279492453 780773404 /nfs/dbraw/zinc/77/34/04/780773404.db2.gz ZKAJHTJAZGQNPO-GFCCVEGCSA-N 1 0 280.332 -1.198 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001279408548 780773632 /nfs/dbraw/zinc/77/36/32/780773632.db2.gz FTTRXYKPQZBHEH-JTQLQIEISA-N 1 0 269.301 -1.207 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O ZINC001279672765 780775015 /nfs/dbraw/zinc/77/50/15/780775015.db2.gz MGJSJVNXXVTKQY-IUCAKERBSA-N 1 0 256.306 -1.570 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O ZINC001279672762 780775168 /nfs/dbraw/zinc/77/51/68/780775168.db2.gz MGJSJVNXXVTKQY-BDAKNGLRSA-N 1 0 256.306 -1.570 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001279999241 780779100 /nfs/dbraw/zinc/77/91/00/780779100.db2.gz HARCEZYEWFSLDX-NSHDSACASA-N 1 0 296.371 -1.008 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001279999240 780779405 /nfs/dbraw/zinc/77/94/05/780779405.db2.gz HARCEZYEWFSLDX-LLVKDONJSA-N 1 0 296.371 -1.008 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 ZINC001280569763 780783891 /nfs/dbraw/zinc/78/38/91/780783891.db2.gz LDVJUWLWDLQQBU-RYUDHWBXSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 ZINC001280569764 780784090 /nfs/dbraw/zinc/78/40/90/780784090.db2.gz LDVJUWLWDLQQBU-VXGBXAGGSA-N 1 0 279.340 -1.037 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001280622235 780785296 /nfs/dbraw/zinc/78/52/96/780785296.db2.gz XYTQENHWLKLXRT-NWDGAFQWSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 ZINC001280618467 780785391 /nfs/dbraw/zinc/78/53/91/780785391.db2.gz AJLAVEOIZLODND-MNOVXSKESA-N 1 0 267.329 -1.052 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001280622234 780785517 /nfs/dbraw/zinc/78/55/17/780785517.db2.gz XYTQENHWLKLXRT-NEPJUHHUSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CC[N@@H+](C)CCCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001280865922 780788228 /nfs/dbraw/zinc/78/82/28/780788228.db2.gz QMWLYWWHFKXYLE-LBPRGKRZSA-N 1 0 296.371 -1.220 20 30 CAEDRO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001281389853 780801916 /nfs/dbraw/zinc/80/19/16/780801916.db2.gz XVGGGKQZAPIXFT-DTWKUNHWSA-N 1 0 281.316 -2.062 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CC(N)=O)CC1 ZINC001281485687 780803155 /nfs/dbraw/zinc/80/31/55/780803155.db2.gz VFFPIFBJCKIIMP-UHFFFAOYSA-N 1 0 294.355 -1.418 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)CCNC(=O)NC)CC1 ZINC001281613675 780804283 /nfs/dbraw/zinc/80/42/83/780804283.db2.gz QWKVEPQKYZMZQL-UHFFFAOYSA-N 1 0 296.371 -1.118 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)Cn1ncnn1 ZINC001281713693 780806395 /nfs/dbraw/zinc/80/63/95/780806395.db2.gz BCKYBIDQGKOTIM-NSHDSACASA-N 1 0 280.332 -1.193 20 30 CAEDRO C#CCC[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001281800404 780806574 /nfs/dbraw/zinc/80/65/74/780806574.db2.gz XIZLVFWJZUCQON-UHFFFAOYSA-N 1 0 267.329 -1.172 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)C(N)=O)C1=O ZINC001281744746 780806655 /nfs/dbraw/zinc/80/66/55/780806655.db2.gz LYJNSPNFMGEQKT-VHSXEESVSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001281714382 780806667 /nfs/dbraw/zinc/80/66/67/780806667.db2.gz WSUJCZOSZRAGKL-VIFPVBQESA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001281799888 780806679 /nfs/dbraw/zinc/80/66/79/780806679.db2.gz PVYRODKLNPIYCH-LLVKDONJSA-N 1 0 279.340 -1.159 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)CNC(=O)NC)CC1 ZINC001281808687 780807207 /nfs/dbraw/zinc/80/72/07/780807207.db2.gz NUXIELKHJJHFQO-UHFFFAOYSA-N 1 0 282.344 -1.508 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)C(N)=O)C1=O ZINC001281744743 780807287 /nfs/dbraw/zinc/80/72/87/780807287.db2.gz LYJNSPNFMGEQKT-UWVGGRQHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001281816598 780808064 /nfs/dbraw/zinc/80/80/64/780808064.db2.gz IQMPJBPGSRDIAG-NSHDSACASA-N 1 0 294.355 -1.366 20 30 CAEDRO C#CC[NH2+]CC1CC(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001282076409 780811213 /nfs/dbraw/zinc/81/12/13/780811213.db2.gz VBMFBVCKAFAKFE-UHFFFAOYSA-N 1 0 287.385 -1.005 20 30 CAEDRO C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001282160846 780811823 /nfs/dbraw/zinc/81/18/23/780811823.db2.gz NZFWOHSYKQIOFJ-YUMQZZPRSA-N 1 0 279.304 -1.459 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)c1cn[nH]n1 ZINC001282160844 780813099 /nfs/dbraw/zinc/81/30/99/780813099.db2.gz NZFWOHSYKQIOFJ-SFYZADRCSA-N 1 0 279.304 -1.459 20 30 CAEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001282432072 780815951 /nfs/dbraw/zinc/81/59/51/780815951.db2.gz CNYBQZKWZFVYKR-SNVBAGLBSA-N 1 0 290.389 -1.500 20 30 CAEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001282443089 780815972 /nfs/dbraw/zinc/81/59/72/780815972.db2.gz DSMGLDUBJXTUFT-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001282443088 780816993 /nfs/dbraw/zinc/81/69/93/780816993.db2.gz DSMGLDUBJXTUFT-GFCCVEGCSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 ZINC001282911630 780828194 /nfs/dbraw/zinc/82/81/94/780828194.db2.gz MRNNDLISEJYUAY-QWRGUYRKSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CNC(=O)NC)CCO1 ZINC001282911625 780828299 /nfs/dbraw/zinc/82/82/99/780828299.db2.gz MRNNDLISEJYUAY-GHMZBOCLSA-N 1 0 282.344 -1.246 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 ZINC001282911628 780828581 /nfs/dbraw/zinc/82/85/81/780828581.db2.gz MRNNDLISEJYUAY-MNOVXSKESA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001282902372 780828820 /nfs/dbraw/zinc/82/88/20/780828820.db2.gz FVOJMWSOWMJHKP-NWDGAFQWSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001283033114 780839593 /nfs/dbraw/zinc/83/95/93/780839593.db2.gz WRIRDCWPCFXPSZ-MGCOHNPYSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001283092916 780841870 /nfs/dbraw/zinc/84/18/70/780841870.db2.gz ZTKOPDLOQYVCSQ-MGCOHNPYSA-N 1 0 290.327 -1.348 20 30 CAEDRO CC#CC[N@H+](C)CCOCCNC(=O)c1nnn(C)n1 ZINC001283405570 780851309 /nfs/dbraw/zinc/85/13/09/780851309.db2.gz IZAUARDNTILGAZ-UHFFFAOYSA-N 1 0 280.332 -1.088 20 30 CAEDRO CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283470550 780853201 /nfs/dbraw/zinc/85/32/01/780853201.db2.gz DDWFEDSPOJAXFH-NSHDSACASA-N 1 0 282.344 -1.196 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001283581221 780854507 /nfs/dbraw/zinc/85/45/07/780854507.db2.gz FUOIAPFCXYESMC-SFYZADRCSA-N 1 0 269.305 -1.223 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CNC(=O)CC ZINC001283581427 780854629 /nfs/dbraw/zinc/85/46/29/780854629.db2.gz HNQXEYMVBUZWHI-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO C[C@H](CN(C)C(=O)[C@@H](C)C#N)[NH2+]CC(=O)NC(N)=O ZINC001283581220 780854796 /nfs/dbraw/zinc/85/47/96/780854796.db2.gz FUOIAPFCXYESMC-JGVFFNPUSA-N 1 0 269.305 -1.223 20 30 CAEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CS(=O)(=O)NC ZINC001283556820 780855002 /nfs/dbraw/zinc/85/50/02/780855002.db2.gz MCOQMVMTSHUGRR-NSHDSACASA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CCS(=O)(=O)NC ZINC001283607383 780855915 /nfs/dbraw/zinc/85/59/15/780855915.db2.gz BCJCHBARUZHWSC-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CCS(=O)(=O)NC ZINC001283607382 780856431 /nfs/dbraw/zinc/85/64/31/780856431.db2.gz BCJCHBARUZHWSC-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001283664715 780857022 /nfs/dbraw/zinc/85/70/22/780857022.db2.gz OCDIYLVHNNRHMF-VHSXEESVSA-N 1 0 295.343 -2.146 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001283664714 780857141 /nfs/dbraw/zinc/85/71/41/780857141.db2.gz OCDIYLVHNNRHMF-UWVGGRQHSA-N 1 0 295.343 -2.146 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001283664624 780857339 /nfs/dbraw/zinc/85/73/39/780857339.db2.gz LXOMWBSMRTYCOB-WDEREUQCSA-N 1 0 282.344 -1.246 20 30 CAEDRO CC(C)(F)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283721285 780857742 /nfs/dbraw/zinc/85/77/42/780857742.db2.gz DGPOTEUXJSSLFT-MRVPVSSYSA-N 1 0 274.296 -1.559 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1ccon1 ZINC001283735133 780858461 /nfs/dbraw/zinc/85/84/61/780858461.db2.gz RAMGGMYUPXEGGX-UWVGGRQHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)SC ZINC001283735330 780858562 /nfs/dbraw/zinc/85/85/62/780858562.db2.gz SNVRAQXLYYJQOC-UWVGGRQHSA-N 1 0 287.385 -1.446 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001283733963 780858708 /nfs/dbraw/zinc/85/87/08/780858708.db2.gz RPUUZWIIDSEHCV-RYUDHWBXSA-N 1 0 270.329 -1.118 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccon1 ZINC001283735136 780858739 /nfs/dbraw/zinc/85/87/39/780858739.db2.gz RAMGGMYUPXEGGX-ZJUUUORDSA-N 1 0 294.311 -1.507 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001283742899 780859035 /nfs/dbraw/zinc/85/90/35/780859035.db2.gz APFCGOJSNMRTEE-LLVKDONJSA-N 1 0 280.328 -1.250 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CNC(C)=O ZINC001283733909 780859056 /nfs/dbraw/zinc/85/90/56/780859056.db2.gz RGIFRZLYWRNIQN-NSHDSACASA-N 1 0 271.317 -2.161 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001283741587 780859129 /nfs/dbraw/zinc/85/91/29/780859129.db2.gz ANILSOUQHWPBNY-ZJUUUORDSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccon1 ZINC001283735131 780859163 /nfs/dbraw/zinc/85/91/63/780859163.db2.gz RAMGGMYUPXEGGX-NXEZZACHSA-N 1 0 294.311 -1.507 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001283733534 780859318 /nfs/dbraw/zinc/85/93/18/780859318.db2.gz NBOIHNDHQXWING-PWSUYJOCSA-N 1 0 285.344 -1.773 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CNC(=O)OC ZINC001283733043 780859420 /nfs/dbraw/zinc/85/94/20/780859420.db2.gz CLXJFEJSGNTATN-VIFPVBQESA-N 1 0 259.306 -1.015 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1=CCCC1 ZINC001283742807 780859958 /nfs/dbraw/zinc/85/99/58/780859958.db2.gz NUUJIRNOAMGELE-NSHDSACASA-N 1 0 280.328 -1.197 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001283745560 780859986 /nfs/dbraw/zinc/85/99/86/780859986.db2.gz RDOBCQXMGJIZCI-SECBINFHSA-N 1 0 296.331 -2.202 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001283744182 780860010 /nfs/dbraw/zinc/86/00/10/780860010.db2.gz KDPSUCNAJZLYBS-LBPRGKRZSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001283744847 780860225 /nfs/dbraw/zinc/86/02/25/780860225.db2.gz NWSQSIQESORCFW-NXEZZACHSA-N 1 0 298.343 -1.560 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cscn1 ZINC001283745120 780860766 /nfs/dbraw/zinc/86/07/66/780860766.db2.gz IJIHQEJJNCTLGW-QMMMGPOBSA-N 1 0 297.340 -1.537 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001283746001 780861430 /nfs/dbraw/zinc/86/14/30/780861430.db2.gz UZTZRXVHTKIMHZ-VIFPVBQESA-N 1 0 294.315 -2.755 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncoc1C ZINC001283747234 780861456 /nfs/dbraw/zinc/86/14/56/780861456.db2.gz SQWAJVODTVCJCR-JTQLQIEISA-N 1 0 296.327 -1.034 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001283746000 780861673 /nfs/dbraw/zinc/86/16/73/780861673.db2.gz UZTZRXVHTKIMHZ-SECBINFHSA-N 1 0 294.315 -2.755 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncoc1C ZINC001283747235 780861769 /nfs/dbraw/zinc/86/17/69/780861769.db2.gz SQWAJVODTVCJCR-SNVBAGLBSA-N 1 0 296.327 -1.034 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CNC(=O)N1CCCC1 ZINC001283754693 780862039 /nfs/dbraw/zinc/86/20/39/780862039.db2.gz DHQPMVWZGIPCGS-LLVKDONJSA-N 1 0 282.344 -1.508 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001283747330 780862134 /nfs/dbraw/zinc/86/21/34/780862134.db2.gz VSOOMQGXNVQKKQ-JTQLQIEISA-N 1 0 299.371 -1.030 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC1(C)C ZINC001283746755 780862304 /nfs/dbraw/zinc/86/23/04/780862304.db2.gz ZWZLAXIQTQGBPL-GHMZBOCLSA-N 1 0 281.356 -1.151 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001283747331 780862348 /nfs/dbraw/zinc/86/23/48/780862348.db2.gz VSOOMQGXNVQKKQ-SNVBAGLBSA-N 1 0 299.371 -1.030 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC1(C)C ZINC001283746756 780862429 /nfs/dbraw/zinc/86/24/29/780862429.db2.gz ZWZLAXIQTQGBPL-MNOVXSKESA-N 1 0 281.356 -1.151 20 30 CAEDRO C=CCOCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCN(C)C1=O ZINC001283747610 780862583 /nfs/dbraw/zinc/86/25/83/780862583.db2.gz WXHGUPTXNMELBN-NEPJUHHUSA-N 1 0 299.371 -1.124 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001283764028 780862948 /nfs/dbraw/zinc/86/29/48/780862948.db2.gz JJCHZNDOCLOLEI-WDEREUQCSA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001283764385 780862989 /nfs/dbraw/zinc/86/29/89/780862989.db2.gz LHVMWDQZXNBHFJ-UWVGGRQHSA-N 1 0 253.302 -1.835 20 30 CAEDRO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001283756085 780863289 /nfs/dbraw/zinc/86/32/89/780863289.db2.gz LBUYZCGLUSXVSI-NWDGAFQWSA-N 1 0 270.329 -1.526 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1=O ZINC001283763023 780863401 /nfs/dbraw/zinc/86/34/01/780863401.db2.gz FHZZELUYFLBLJJ-LLVKDONJSA-N 1 0 283.328 -2.065 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CN(C)C(=O)C1CC1 ZINC001283764523 780863967 /nfs/dbraw/zinc/86/39/67/780863967.db2.gz LTRGNQUPNUKTRF-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001283764390 780864036 /nfs/dbraw/zinc/86/40/36/780864036.db2.gz LHVMWDQZXNBHFJ-ZJUUUORDSA-N 1 0 253.302 -1.835 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CN1CCOCC1=O ZINC001283763024 780864104 /nfs/dbraw/zinc/86/41/04/780864104.db2.gz FHZZELUYFLBLJJ-NSHDSACASA-N 1 0 283.328 -2.065 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219325 781352154 /nfs/dbraw/zinc/35/21/54/781352154.db2.gz OTLPSFPHCNPYFP-SNVBAGLBSA-N 1 0 280.328 -1.890 20 30 CAEDRO CNC(=O)C1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001135259053 781353843 /nfs/dbraw/zinc/35/38/43/781353843.db2.gz RTBOBSPUIWBQPE-UHFFFAOYSA-N 1 0 281.316 -2.142 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135222277 781353971 /nfs/dbraw/zinc/35/39/71/781353971.db2.gz GEGRZJOXIIVONP-SNVBAGLBSA-N 1 0 282.344 -1.337 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135257249 781355323 /nfs/dbraw/zinc/35/53/23/781355323.db2.gz LUAAACDVXCAMCO-UHFFFAOYSA-N 1 0 282.344 -1.479 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135263235 781355792 /nfs/dbraw/zinc/35/57/92/781355792.db2.gz OHLXPOPTEAOJQG-SNVBAGLBSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135272813 781357020 /nfs/dbraw/zinc/35/70/20/781357020.db2.gz CBZSKGZNVMDUEI-UHFFFAOYSA-N 1 0 296.327 -1.953 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135288197 781360044 /nfs/dbraw/zinc/36/00/44/781360044.db2.gz GTVWJAQOKUXMEO-UHFFFAOYSA-N 1 0 266.305 -1.563 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cnn(C)n2)C1=O ZINC001135284327 781360626 /nfs/dbraw/zinc/36/06/26/781360626.db2.gz LPLRDFFEVAXLIQ-SNVBAGLBSA-N 1 0 292.343 -1.079 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135340130 781361513 /nfs/dbraw/zinc/36/15/13/781361513.db2.gz OOXAYLQPPVUBOI-RKDXNWHRSA-N 1 0 268.317 -1.906 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135340128 781361686 /nfs/dbraw/zinc/36/16/86/781361686.db2.gz OOXAYLQPPVUBOI-DTWKUNHWSA-N 1 0 268.317 -1.906 20 30 CAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001135340652 781361761 /nfs/dbraw/zinc/36/17/61/781361761.db2.gz VIJHDIOIXSFNNG-JGVFFNPUSA-N 1 0 269.305 -2.016 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COc1cccnc1 ZINC001135340874 781361827 /nfs/dbraw/zinc/36/18/27/781361827.db2.gz LEBJCXKARCHWRM-UHFFFAOYSA-N 1 0 291.311 -1.194 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135340127 781362020 /nfs/dbraw/zinc/36/20/20/781362020.db2.gz OOXAYLQPPVUBOI-BDAKNGLRSA-N 1 0 268.317 -1.906 20 30 CAEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001135340654 781362267 /nfs/dbraw/zinc/36/22/67/781362267.db2.gz VIJHDIOIXSFNNG-YUMQZZPRSA-N 1 0 269.305 -2.016 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135343683 781362311 /nfs/dbraw/zinc/36/23/11/781362311.db2.gz FQGPQBXBGKTXAB-VHSXEESVSA-N 1 0 255.318 -1.006 20 30 CAEDRO N#C[C@@H](Nc1ccc(N2CC[NH2+]CC2)nn1)C(N)=O ZINC001159467533 781364562 /nfs/dbraw/zinc/36/45/62/781364562.db2.gz AQFWVEKVWLSFIB-MRVPVSSYSA-N 1 0 261.289 -1.324 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381107 781364798 /nfs/dbraw/zinc/36/47/98/781364798.db2.gz OBTZNZVPZMUXLH-UHFFFAOYSA-N 1 0 284.360 -1.091 20 30 CAEDRO N#C[C@H](Nc1ccc(N2CC[NH2+]CC2)nn1)C(N)=O ZINC001159467534 781365104 /nfs/dbraw/zinc/36/51/04/781365104.db2.gz AQFWVEKVWLSFIB-QMMMGPOBSA-N 1 0 261.289 -1.324 20 30 CAEDRO C=CC[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135387055 781365735 /nfs/dbraw/zinc/36/57/35/781365735.db2.gz JSDDUMNOOUUMLB-SNVBAGLBSA-N 1 0 270.333 -1.352 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135389685 781367385 /nfs/dbraw/zinc/36/73/85/781367385.db2.gz ASIDDJZOXMSHIB-UHFFFAOYSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135444504 781367404 /nfs/dbraw/zinc/36/74/04/781367404.db2.gz WKSXZCHXYMYKLH-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135440939 781367698 /nfs/dbraw/zinc/36/76/98/781367698.db2.gz VOUDQLGMKPYFNF-UHFFFAOYSA-N 1 0 295.299 -3.007 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135456701 781368331 /nfs/dbraw/zinc/36/83/31/781368331.db2.gz DCWYJRVWGOQVFX-UHFFFAOYSA-N 1 0 296.287 -3.116 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccncn1 ZINC001135538920 781373497 /nfs/dbraw/zinc/37/34/97/781373497.db2.gz ADWIHTZSSSNRSG-UHFFFAOYSA-N 1 0 261.285 -1.455 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135529378 781373659 /nfs/dbraw/zinc/37/36/59/781373659.db2.gz QCVMSPUYWNQVRT-QMMMGPOBSA-N 1 0 266.305 -1.185 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnon1 ZINC001135567346 781376877 /nfs/dbraw/zinc/37/68/77/781376877.db2.gz PKGCCARDPXSLBC-MRVPVSSYSA-N 1 0 265.273 -1.473 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccnn1 ZINC001135632057 781378824 /nfs/dbraw/zinc/37/88/24/781378824.db2.gz TXNHUGQPPVQKAY-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO CCc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001135685384 781381771 /nfs/dbraw/zinc/38/17/71/781381771.db2.gz SVUYQMZVQIXEBC-UHFFFAOYSA-N 1 0 292.343 -1.058 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681654 781382079 /nfs/dbraw/zinc/38/20/79/781382079.db2.gz OJDGJIIKSYMIPM-UHFFFAOYSA-N 1 0 268.321 -1.028 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135684283 781382389 /nfs/dbraw/zinc/38/23/89/781382389.db2.gz FDTWWZFKRUAZCT-UHFFFAOYSA-N 1 0 281.320 -1.929 20 30 CAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nnc[nH]1 ZINC001135705842 781382440 /nfs/dbraw/zinc/38/24/40/781382440.db2.gz JWLDRCIQTQNWAM-RKDXNWHRSA-N 1 0 293.331 -1.069 20 30 CAEDRO C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135780942 781382838 /nfs/dbraw/zinc/38/28/38/781382838.db2.gz KPBMQVUJKPATPJ-VHSXEESVSA-N 1 0 268.317 -1.243 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816333 781388285 /nfs/dbraw/zinc/38/82/85/781388285.db2.gz QIXAGUGWLMGJQB-UHFFFAOYSA-N 1 0 292.299 -1.927 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(CCC)nn1 ZINC001135965930 781390322 /nfs/dbraw/zinc/39/03/22/781390322.db2.gz XFXOWGQFQFNSBO-UHFFFAOYSA-N 1 0 292.343 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C(C)C)nn1 ZINC001135981761 781391964 /nfs/dbraw/zinc/39/19/64/781391964.db2.gz ZRKQQTGFXPZXHB-UHFFFAOYSA-N 1 0 292.343 -1.072 20 30 CAEDRO COCc1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)co1 ZINC001136030658 781393075 /nfs/dbraw/zinc/39/30/75/781393075.db2.gz PKJXMXDEGILTSN-UHFFFAOYSA-N 1 0 295.299 -1.220 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090526940 781394823 /nfs/dbraw/zinc/39/48/23/781394823.db2.gz VSINCOSWDBQJAU-PWSUYJOCSA-N 1 0 290.323 -1.042 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090527953 781395505 /nfs/dbraw/zinc/39/55/05/781395505.db2.gz FSFHYZCSMJVGHI-CMPLNLGQSA-N 1 0 290.323 -1.042 20 30 CAEDRO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090535898 781408083 /nfs/dbraw/zinc/40/80/83/781408083.db2.gz XKLGRSYXFAHJCU-ZJUUUORDSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC001090641197 781415187 /nfs/dbraw/zinc/41/51/87/781415187.db2.gz ODWYTRMOPDOOCD-GHMZBOCLSA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001090657500 781417990 /nfs/dbraw/zinc/41/79/90/781417990.db2.gz CMUUTUMYOVTZHC-UWVGGRQHSA-N 1 0 263.301 -1.007 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090654180 781418104 /nfs/dbraw/zinc/41/81/04/781418104.db2.gz GAELHIFHOJRVFG-UWVGGRQHSA-N 1 0 296.327 -1.724 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171025457 781424595 /nfs/dbraw/zinc/42/45/95/781424595.db2.gz FORLQTCKDGVTQP-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090715263 781425135 /nfs/dbraw/zinc/42/51/35/781425135.db2.gz HOJAXVLIGMMWDB-GHMZBOCLSA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708560 781425534 /nfs/dbraw/zinc/42/55/34/781425534.db2.gz VDEFVASBJBHUMR-MNOVXSKESA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001090708562 781425711 /nfs/dbraw/zinc/42/57/11/781425711.db2.gz VDEFVASBJBHUMR-WDEREUQCSA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090787193 781430092 /nfs/dbraw/zinc/43/00/92/781430092.db2.gz NGWUHYMTJWIWKG-NWDGAFQWSA-N 1 0 277.328 -1.147 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090787192 781430324 /nfs/dbraw/zinc/43/03/24/781430324.db2.gz NGWUHYMTJWIWKG-NEPJUHHUSA-N 1 0 277.328 -1.147 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090787194 781430518 /nfs/dbraw/zinc/43/05/18/781430518.db2.gz NGWUHYMTJWIWKG-RYUDHWBXSA-N 1 0 277.328 -1.147 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090789820 781431051 /nfs/dbraw/zinc/43/10/51/781431051.db2.gz JGKTYUCPZNFBFJ-NEPJUHHUSA-N 1 0 277.328 -1.147 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090789823 781431800 /nfs/dbraw/zinc/43/18/00/781431800.db2.gz JGKTYUCPZNFBFJ-VXGBXAGGSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001090797159 781432918 /nfs/dbraw/zinc/43/29/18/781432918.db2.gz VAFOVKXLCVXTLO-MNOVXSKESA-N 1 0 295.339 -1.127 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)NCCN1CCOCC1 ZINC001143964043 781441100 /nfs/dbraw/zinc/44/11/00/781441100.db2.gz COBNGGQRFUGNFM-UHFFFAOYSA-N 1 0 298.387 -1.331 20 30 CAEDRO CN(CC(=O)N=C(N)c1ccc(C(N)=O)cc1)C(N)=[NH2+] ZINC001144142781 781444108 /nfs/dbraw/zinc/44/41/08/781444108.db2.gz ONWHUOFMCLUSQL-UHFFFAOYSA-N 1 0 276.300 -1.157 20 30 CAEDRO CC(C)C[C@H](NC(=O)CN(C)C(N)=[NH2+])C(=O)NO ZINC001144149660 781445810 /nfs/dbraw/zinc/44/58/10/781445810.db2.gz URLXNZCCWCFWSB-ZETCQYMHSA-N 1 0 259.310 -1.152 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100261663 781453218 /nfs/dbraw/zinc/45/32/18/781453218.db2.gz IYTHSOLMKKQPDN-UHFFFAOYSA-N 1 0 294.355 -1.644 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001160642189 781458048 /nfs/dbraw/zinc/45/80/48/781458048.db2.gz GLNCBGVUOGUDAZ-GUBZILKMSA-N 1 0 295.343 -1.544 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCC[C@@H]1C#N ZINC001160638118 781458351 /nfs/dbraw/zinc/45/83/51/781458351.db2.gz WQQJTFCKIHDOLB-AEJSXWLSSA-N 1 0 268.317 -1.285 20 30 CAEDRO N#C[C@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CCO1 ZINC001160878175 781480958 /nfs/dbraw/zinc/48/09/58/781480958.db2.gz HHZASHXNUSINIP-DTWKUNHWSA-N 1 0 269.305 -1.487 20 30 CAEDRO C#CC[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146191025 781482078 /nfs/dbraw/zinc/48/20/78/781482078.db2.gz OXCFHJIYRXIDQU-UHFFFAOYSA-N 1 0 251.290 -1.329 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nonc1C ZINC001146244030 781483417 /nfs/dbraw/zinc/48/34/17/781483417.db2.gz HMUCSQQMXRKLIW-JTQLQIEISA-N 1 0 293.327 -1.236 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nonc1C ZINC001146244031 781483493 /nfs/dbraw/zinc/48/34/93/781483493.db2.gz HMUCSQQMXRKLIW-SNVBAGLBSA-N 1 0 293.327 -1.236 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cnccn1 ZINC001146727869 781490098 /nfs/dbraw/zinc/49/00/98/781490098.db2.gz PBFKSGYFAKWOCN-UHFFFAOYSA-N 1 0 289.339 -1.136 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146878809 781493756 /nfs/dbraw/zinc/49/37/56/781493756.db2.gz LMMFIXMRTJDJTP-UHFFFAOYSA-N 1 0 296.327 -1.716 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146878387 781494006 /nfs/dbraw/zinc/49/40/06/781494006.db2.gz GGBYTQPWJWHFBF-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO C#CC[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146902219 781494140 /nfs/dbraw/zinc/49/41/40/781494140.db2.gz JLSHCCQEZFZLOX-UHFFFAOYSA-N 1 0 277.328 -1.280 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001147003029 781497300 /nfs/dbraw/zinc/49/73/00/781497300.db2.gz CCVWNTXBOADCMV-ZWNOBZJWSA-N 1 0 280.328 -1.241 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001147003026 781497319 /nfs/dbraw/zinc/49/73/19/781497319.db2.gz CCVWNTXBOADCMV-GWCFXTLKSA-N 1 0 280.328 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001147009286 781499415 /nfs/dbraw/zinc/49/94/15/781499415.db2.gz GUTIRQXSJRCITN-RISCZKNCSA-N 1 0 279.340 -1.132 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051301 781500215 /nfs/dbraw/zinc/50/02/15/781500215.db2.gz QXSJORKOGSZBES-JTQLQIEISA-N 1 0 295.347 -1.540 20 30 CAEDRO COCCCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147061578 781500265 /nfs/dbraw/zinc/50/02/65/781500265.db2.gz FUOKLYWXXVBLCO-UHFFFAOYSA-N 1 0 286.332 -1.615 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147051342 781500843 /nfs/dbraw/zinc/50/08/43/781500843.db2.gz SGZMHKHMPFILLH-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCCCOC ZINC001147064505 781501461 /nfs/dbraw/zinc/50/14/61/781501461.db2.gz NJJNZZCEUJPOIH-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147175855 781503785 /nfs/dbraw/zinc/50/37/85/781503785.db2.gz LPHSBNZSNXSUNJ-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271533 781505337 /nfs/dbraw/zinc/50/53/37/781505337.db2.gz HTOANFMHEPTWGX-SECBINFHSA-N 1 0 278.316 -1.809 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2nc[nH]n2)C1=O ZINC001147264605 781506593 /nfs/dbraw/zinc/50/65/93/781506593.db2.gz LLACHUGHNQRBBM-JTQLQIEISA-N 1 0 292.343 -1.160 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147363503 781509417 /nfs/dbraw/zinc/50/94/17/781509417.db2.gz FFBINQNDUPQQOO-SNVBAGLBSA-N 1 0 295.347 -1.540 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147645219 781515040 /nfs/dbraw/zinc/51/50/40/781515040.db2.gz SAHPJQLVNZHOMR-UHFFFAOYSA-N 1 0 298.343 -1.211 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147645061 781516103 /nfs/dbraw/zinc/51/61/03/781516103.db2.gz OXUMHQUSXLBHET-UHFFFAOYSA-N 1 0 296.327 -1.764 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001147698162 781518603 /nfs/dbraw/zinc/51/86/03/781518603.db2.gz FYYGYXAPYKVJNW-UHFFFAOYSA-N 1 0 266.257 -1.151 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cncn1C ZINC001147900772 781525286 /nfs/dbraw/zinc/52/52/86/781525286.db2.gz VQEUEBAKCLUWPM-UHFFFAOYSA-N 1 0 279.344 -1.029 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cncn1C ZINC001147908509 781525705 /nfs/dbraw/zinc/52/57/05/781525705.db2.gz XMFZDCVIRBEJRY-NSHDSACASA-N 1 0 291.355 -1.194 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181776 781529058 /nfs/dbraw/zinc/52/90/58/781529058.db2.gz TWZJYRQKKJAVBW-SNVBAGLBSA-N 1 0 292.339 -1.856 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCC(=O)N(C)C ZINC001148202664 781530806 /nfs/dbraw/zinc/53/08/06/781530806.db2.gz HPQORJNIHYJGIU-UHFFFAOYSA-N 1 0 296.371 -1.300 20 30 CAEDRO CC(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148431980 781533533 /nfs/dbraw/zinc/53/35/33/781533533.db2.gz FNZOZOAUXUZINE-NSHDSACASA-N 1 0 295.343 -1.657 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418082 781535031 /nfs/dbraw/zinc/53/50/31/781535031.db2.gz STEDLEYDQMOLII-JTQLQIEISA-N 1 0 253.302 -1.379 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418097 781535272 /nfs/dbraw/zinc/53/52/72/781535272.db2.gz SYCDSJHQAZUKAN-QMMMGPOBSA-N 1 0 267.289 -2.389 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1nc(C)ccc1=O ZINC001148557488 781536900 /nfs/dbraw/zinc/53/69/00/781536900.db2.gz QANUSEOXTWCVJZ-UHFFFAOYSA-N 1 0 292.339 -1.093 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C(=O)NC)CCC1 ZINC001148598728 781537494 /nfs/dbraw/zinc/53/74/94/781537494.db2.gz GRVZDURBMHGQIN-UHFFFAOYSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)[C@H](C)C1 ZINC001092928005 781549161 /nfs/dbraw/zinc/54/91/61/781549161.db2.gz HMVVHBHYVMCERM-GMTAPVOTSA-N 1 0 264.329 -1.015 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C)C1 ZINC001093203078 781551648 /nfs/dbraw/zinc/55/16/48/781551648.db2.gz FTJQKBHVTMUZOT-UTUOFQBUSA-N 1 0 299.396 -1.005 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171620559 781571345 /nfs/dbraw/zinc/57/13/45/781571345.db2.gz CAXQFPVGXJBNSY-MNOVXSKESA-N 1 0 294.355 -1.501 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171621473 781572299 /nfs/dbraw/zinc/57/22/99/781572299.db2.gz VZDCDPOUJUAGRC-VIFPVBQESA-N 1 0 281.316 -1.999 20 30 CAEDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001172918769 781577075 /nfs/dbraw/zinc/57/70/75/781577075.db2.gz MRJWMUPNZDYHAH-MJYBNVITSA-N 1 0 291.344 -1.824 20 30 CAEDRO C[C@H](CCCC#N)[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001172493175 781577469 /nfs/dbraw/zinc/57/74/69/781577469.db2.gz YHAOUCCBGZGGPD-SECBINFHSA-N 1 0 283.332 -1.624 20 30 CAEDRO CCOCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172412354 781577726 /nfs/dbraw/zinc/57/77/26/781577726.db2.gz WPCYYFPYQYNITR-PREPNJAASA-N 1 0 279.333 -1.966 20 30 CAEDRO CC[C@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173268604 781578907 /nfs/dbraw/zinc/57/89/07/781578907.db2.gz YWQDEPPCOZXBLY-DVWMECQTSA-N 1 0 275.345 -1.203 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)Cn1cncn1 ZINC001150261410 781582892 /nfs/dbraw/zinc/58/28/92/781582892.db2.gz LTNRYZUQMWIVHI-UHFFFAOYSA-N 1 0 251.290 -1.366 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1cncn1 ZINC001150250180 781583915 /nfs/dbraw/zinc/58/39/15/781583915.db2.gz QCBFFJKLKSCQOX-UHFFFAOYSA-N 1 0 265.277 -2.376 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCNC(N)=O ZINC001150423752 781585978 /nfs/dbraw/zinc/58/59/78/781585978.db2.gz JTJVQQPDRKHROL-UHFFFAOYSA-N 1 0 269.305 -2.500 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174927001 781586287 /nfs/dbraw/zinc/58/62/87/781586287.db2.gz GYFZXHOZSBVMTE-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174928093 781586389 /nfs/dbraw/zinc/58/63/89/781586389.db2.gz SJUPYYHVHMXJGC-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001174980859 781587633 /nfs/dbraw/zinc/58/76/33/781587633.db2.gz XPKKUQMWDHTCDA-LBPRGKRZSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175013456 781588057 /nfs/dbraw/zinc/58/80/57/781588057.db2.gz KCTPRDFYCWWXOS-JTQLQIEISA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150466139 781589906 /nfs/dbraw/zinc/58/99/06/781589906.db2.gz IOECCXHJBGZOQG-UHFFFAOYSA-N 1 0 294.311 -2.409 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150474016 781590319 /nfs/dbraw/zinc/59/03/19/781590319.db2.gz ZARHGOFUFNSSQN-UHFFFAOYSA-N 1 0 296.327 -1.857 20 30 CAEDRO CN1CCCn2nc(C(=O)N[C@H](C#N)C(N)=O)cc2C1 ZINC001175105170 781590361 /nfs/dbraw/zinc/59/03/61/781590361.db2.gz WCDXZHZAIBYNPB-SNVBAGLBSA-N 1 0 276.300 -1.174 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)Cn1cncn1 ZINC001175507969 781592413 /nfs/dbraw/zinc/59/24/13/781592413.db2.gz RRNBSDPAORUZDJ-UHFFFAOYSA-N 1 0 280.332 -1.324 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175568057 781593505 /nfs/dbraw/zinc/59/35/05/781593505.db2.gz WWRLOASIVJWQNC-UHFFFAOYSA-N 1 0 284.320 -2.220 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175567384 781593540 /nfs/dbraw/zinc/59/35/40/781593540.db2.gz LUCYFWGLEJLDBW-UHFFFAOYSA-N 1 0 283.332 -2.110 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175567752 781594024 /nfs/dbraw/zinc/59/40/24/781594024.db2.gz RTVKQFDWDUWOBJ-UHFFFAOYSA-N 1 0 285.348 -1.557 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn(C)n1 ZINC001176081118 781596879 /nfs/dbraw/zinc/59/68/79/781596879.db2.gz OUIAKMRKFHLWIL-UHFFFAOYSA-N 1 0 277.328 -1.121 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001176026150 781597775 /nfs/dbraw/zinc/59/77/75/781597775.db2.gz JJJSJNULDLBGDU-UHFFFAOYSA-N 1 0 287.385 -1.554 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176277051 781599270 /nfs/dbraw/zinc/59/92/70/781599270.db2.gz HOYWZFDPPBOPRP-VIFPVBQESA-N 1 0 261.347 -1.040 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176277040 781599381 /nfs/dbraw/zinc/59/93/81/781599381.db2.gz HOYWZFDPPBOPRP-SECBINFHSA-N 1 0 261.347 -1.040 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956339 781612367 /nfs/dbraw/zinc/61/23/67/781612367.db2.gz WANRDFISCCJVFN-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176961622 781612761 /nfs/dbraw/zinc/61/27/61/781612761.db2.gz QQMIRPUOHGFEET-UHFFFAOYSA-N 1 0 278.316 -1.504 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176961052 781613096 /nfs/dbraw/zinc/61/30/96/781613096.db2.gz CJHCNISHGVTTAP-UHFFFAOYSA-N 1 0 278.316 -1.504 20 30 CAEDRO C=CCCOCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001177260898 781617029 /nfs/dbraw/zinc/61/70/29/781617029.db2.gz ZQHWRQXRAAZWAJ-UHFFFAOYSA-N 1 0 286.332 -1.130 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cn1ccnc1 ZINC001177400632 781619092 /nfs/dbraw/zinc/61/90/92/781619092.db2.gz JMXCHYGTIOXUGH-UHFFFAOYSA-N 1 0 278.316 -1.381 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177400413 781619368 /nfs/dbraw/zinc/61/93/68/781619368.db2.gz IDQWPBUPVNXXTR-LLVKDONJSA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178094036 781631114 /nfs/dbraw/zinc/63/11/14/781631114.db2.gz ZIZKXMOPGSJYFA-UWVGGRQHSA-N 1 0 295.343 -2.017 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093939 781631463 /nfs/dbraw/zinc/63/14/63/781631463.db2.gz UXNPYTLCZCQVPJ-QWRGUYRKSA-N 1 0 282.344 -1.117 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCCCCNC(=O)CC(N)=O ZINC001178082104 781631562 /nfs/dbraw/zinc/63/15/62/781631562.db2.gz GJURRZLBWQOASK-UHFFFAOYSA-N 1 0 297.359 -1.232 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178262017 781633216 /nfs/dbraw/zinc/63/32/16/781633216.db2.gz BCYZKWHTQKURGN-UHFFFAOYSA-N 1 0 296.371 -1.123 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001178508352 781633907 /nfs/dbraw/zinc/63/39/07/781633907.db2.gz ABDQNPQOPLCYOE-UWVGGRQHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC(N)=O ZINC001178396224 781634656 /nfs/dbraw/zinc/63/46/56/781634656.db2.gz XHEZRJDPKAZAEE-IUCAKERBSA-N 1 0 281.316 -1.919 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178508724 781635008 /nfs/dbraw/zinc/63/50/08/781635008.db2.gz QKTQOAXOARUCQM-QWRGUYRKSA-N 1 0 294.355 -1.549 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179431010 781647357 /nfs/dbraw/zinc/64/73/57/781647357.db2.gz KLKZWICCUAJGEB-SDDRHHMPSA-N 1 0 294.355 -1.103 20 30 CAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C(N)=O ZINC001179446267 781647536 /nfs/dbraw/zinc/64/75/36/781647536.db2.gz FOXUPHNFVQFWNX-YUMQZZPRSA-N 1 0 267.289 -2.310 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179436052 781648146 /nfs/dbraw/zinc/64/81/46/781648146.db2.gz OAWBLWVSCOLUFC-UHFFFAOYSA-N 1 0 282.344 -1.513 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446696 781649572 /nfs/dbraw/zinc/64/95/72/781649572.db2.gz ZWMOUKQPVLEYLI-UWVGGRQHSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452745 781649985 /nfs/dbraw/zinc/64/99/85/781649985.db2.gz YVKWZEJBDJVOMK-UTLUCORTSA-N 1 0 280.328 -1.811 20 30 CAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1nc[nH]n1 ZINC001179748979 781652284 /nfs/dbraw/zinc/65/22/84/781652284.db2.gz RVCLPGBTKHLVTP-IUCAKERBSA-N 1 0 291.315 -1.363 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C ZINC001179740244 781653067 /nfs/dbraw/zinc/65/30/67/781653067.db2.gz NQVMBBJOFRXZIY-UWVGGRQHSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180156818 781656130 /nfs/dbraw/zinc/65/61/30/781656130.db2.gz HPOIYVRTKBNGRH-UWVGGRQHSA-N 1 0 273.358 -1.252 20 30 CAEDRO CC(C)[NH+]1CCN(CC(=O)N[C@H](C#N)C(N)=O)CC1 ZINC001180351289 781659697 /nfs/dbraw/zinc/65/96/97/781659697.db2.gz WOJAVHSKUFARGQ-SNVBAGLBSA-N 1 0 267.333 -1.494 20 30 CAEDRO CC(C)[NH+]1CCN(CC(=O)N[C@@H](C#N)C(N)=O)CC1 ZINC001180351288 781660472 /nfs/dbraw/zinc/66/04/72/781660472.db2.gz WOJAVHSKUFARGQ-JTQLQIEISA-N 1 0 267.333 -1.494 20 30 CAEDRO N#C[C@@H](NC(=O)CC[NH+]1CCC(C(N)=O)CC1)C(N)=O ZINC001180612747 781670014 /nfs/dbraw/zinc/67/00/14/781670014.db2.gz GXLDUWAXRHWJHI-SECBINFHSA-N 1 0 281.316 -1.933 20 30 CAEDRO N#C[C@H]1CNCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180607208 781671615 /nfs/dbraw/zinc/67/16/15/781671615.db2.gz NDYHGXHCLMQQPW-LBPRGKRZSA-N 1 0 293.371 -1.102 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001180736043 781673835 /nfs/dbraw/zinc/67/38/35/781673835.db2.gz KAWSAFFSDADAJK-SNVBAGLBSA-N 1 0 288.311 -1.080 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180708015 781675007 /nfs/dbraw/zinc/67/50/07/781675007.db2.gz VWTVBQRGWXJIHG-LLVKDONJSA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180729207 781676957 /nfs/dbraw/zinc/67/69/57/781676957.db2.gz MSOFGGQETBJUDB-ZYHUDNBSSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180729206 781677086 /nfs/dbraw/zinc/67/70/86/781677086.db2.gz MSOFGGQETBJUDB-CMPLNLGQSA-N 1 0 294.355 -1.549 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001180817265 781678392 /nfs/dbraw/zinc/67/83/92/781678392.db2.gz MYYYPOYXWCHZMS-GHMZBOCLSA-N 1 0 280.328 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001180828245 781678858 /nfs/dbraw/zinc/67/88/58/781678858.db2.gz KIBIFARHQAVZBM-CMPLNLGQSA-N 1 0 294.355 -1.549 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180863967 781681440 /nfs/dbraw/zinc/68/14/40/781681440.db2.gz YJRPITWARGRBDG-LLVKDONJSA-N 1 0 278.316 -1.487 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855365 781681716 /nfs/dbraw/zinc/68/17/16/781681716.db2.gz OXWAXNVPWXCEQT-SNVBAGLBSA-N 1 0 291.315 -2.387 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897225 781683696 /nfs/dbraw/zinc/68/36/96/781683696.db2.gz FJCCQEIFMSSZSD-MRVPVSSYSA-N 1 0 282.304 -2.515 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001181076616 781686269 /nfs/dbraw/zinc/68/62/69/781686269.db2.gz RQCNZACVGVSCBU-NEPJUHHUSA-N 1 0 297.355 -1.106 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181082094 781686794 /nfs/dbraw/zinc/68/67/94/781686794.db2.gz QCAOIETUIAVODI-SECBINFHSA-N 1 0 276.300 -1.146 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC001181270969 781689960 /nfs/dbraw/zinc/68/99/60/781689960.db2.gz JFAJNWWPIHJHOA-MRVPVSSYSA-N 1 0 294.340 -1.018 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001181216876 781690700 /nfs/dbraw/zinc/69/07/00/781690700.db2.gz MDRKFXZIKFDEDR-MRVPVSSYSA-N 1 0 294.340 -1.018 20 30 CAEDRO CO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181310398 781692235 /nfs/dbraw/zinc/69/22/35/781692235.db2.gz WFFZHBPORLIDCI-NXEZZACHSA-N 1 0 268.317 -1.148 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001181470068 781694632 /nfs/dbraw/zinc/69/46/32/781694632.db2.gz ZNAJKUBOAHEYCV-GHMZBOCLSA-N 1 0 280.328 -1.147 20 30 CAEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001181600258 781696026 /nfs/dbraw/zinc/69/60/26/781696026.db2.gz YLQPRBNIRLPGHK-NXEZZACHSA-N 1 0 298.343 -1.037 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599971 781696044 /nfs/dbraw/zinc/69/60/44/781696044.db2.gz URLOGNQAHFQVKR-NXEZZACHSA-N 1 0 293.327 -1.905 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181652800 781697338 /nfs/dbraw/zinc/69/73/38/781697338.db2.gz QBDNHMLYVUEFIA-JGVFFNPUSA-N 1 0 267.289 -1.469 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001181698383 781699180 /nfs/dbraw/zinc/69/91/80/781699180.db2.gz HJQTZILAMZPBII-VHSXEESVSA-N 1 0 288.373 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181698736 781699385 /nfs/dbraw/zinc/69/93/85/781699385.db2.gz OEJRRMYMDUYNHS-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779952 781699679 /nfs/dbraw/zinc/69/96/79/781699679.db2.gz OYIWVQUPMDPRJR-NXEZZACHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181769429 781699920 /nfs/dbraw/zinc/69/99/20/781699920.db2.gz OFMOIKGAVKRPHI-NXEZZACHSA-N 1 0 280.328 -1.810 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181768500 781700224 /nfs/dbraw/zinc/70/02/24/781700224.db2.gz HPZPXMYFDKJRBV-MRVPVSSYSA-N 1 0 267.289 -2.308 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001181778750 781700473 /nfs/dbraw/zinc/70/04/73/781700473.db2.gz CESHDNAWOMQQAU-LLVKDONJSA-N 1 0 290.327 -1.218 20 30 CAEDRO C[NH+]1CCC(O)(C(=O)N2CCNC[C@H]2C#N)CC1 ZINC001182028710 781705457 /nfs/dbraw/zinc/70/54/57/781705457.db2.gz ZAAIAXKLOQVZHY-SNVBAGLBSA-N 1 0 252.318 -1.233 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001182015225 781706531 /nfs/dbraw/zinc/70/65/31/781706531.db2.gz KEYOYMMDLLTFPN-LLVKDONJSA-N 1 0 289.339 -1.026 20 30 CAEDRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c1 ZINC001182015245 781706638 /nfs/dbraw/zinc/70/66/38/781706638.db2.gz KGXUIFNICKCVNE-SNVBAGLBSA-N 1 0 290.327 -1.136 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001182128115 781708485 /nfs/dbraw/zinc/70/84/85/781708485.db2.gz MKQQNOXISHUSSI-LLVKDONJSA-N 1 0 293.327 -1.176 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001182134731 781709921 /nfs/dbraw/zinc/70/99/21/781709921.db2.gz USTRWGJSPTWJBK-SNVBAGLBSA-N 1 0 280.328 -1.938 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCOC)C1 ZINC001182144969 781711889 /nfs/dbraw/zinc/71/18/89/781711889.db2.gz DXUBIRAUWOZCMM-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001182145625 781711896 /nfs/dbraw/zinc/71/18/96/781711896.db2.gz SGDDQQJNRIZKSW-VHSXEESVSA-N 1 0 280.328 -1.810 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182204480 781714683 /nfs/dbraw/zinc/71/46/83/781714683.db2.gz PTIPNHZUGTZWRG-RNCFNFMXSA-N 1 0 298.343 -1.301 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182204479 781715204 /nfs/dbraw/zinc/71/52/04/781715204.db2.gz PTIPNHZUGTZWRG-NOZJJQNGSA-N 1 0 298.343 -1.301 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182266656 781715894 /nfs/dbraw/zinc/71/58/94/781715894.db2.gz DVAKIXXMYHNGOD-GHMZBOCLSA-N 1 0 281.312 -1.065 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182260231 781716226 /nfs/dbraw/zinc/71/62/26/781716226.db2.gz YJWSBUDDAQTIKX-NXEZZACHSA-N 1 0 296.327 -1.413 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182267581 781716607 /nfs/dbraw/zinc/71/66/07/781716607.db2.gz MNSOOAMZZKGFDL-ZJUUUORDSA-N 1 0 294.311 -1.965 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182267580 781716667 /nfs/dbraw/zinc/71/66/67/781716667.db2.gz MNSOOAMZZKGFDL-NXEZZACHSA-N 1 0 294.311 -1.965 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001182214623 781716974 /nfs/dbraw/zinc/71/69/74/781716974.db2.gz CMHLYDYHFZFCOE-BXKDBHETSA-N 1 0 255.318 -1.011 20 30 CAEDRO CC(C)(O)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182220265 781716995 /nfs/dbraw/zinc/71/69/95/781716995.db2.gz GIXFNNRIJFBPHG-SNVBAGLBSA-N 1 0 282.344 -1.022 20 30 CAEDRO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182295417 781717611 /nfs/dbraw/zinc/71/76/11/781717611.db2.gz JMMAVJJKFAHJOU-ZYHUDNBSSA-N 1 0 282.344 -1.166 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302813 781717771 /nfs/dbraw/zinc/71/77/71/781717771.db2.gz KDVCOCFUIRYBRO-SNVBAGLBSA-N 1 0 292.343 -1.079 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182456909 781723286 /nfs/dbraw/zinc/72/32/86/781723286.db2.gz TYSGRJLBUWKSDQ-QMTHXVAHSA-N 1 0 296.371 -1.152 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182505190 781724174 /nfs/dbraw/zinc/72/41/74/781724174.db2.gz RKOUBFZPJOSQOH-NWDGAFQWSA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001182700758 781725564 /nfs/dbraw/zinc/72/55/64/781725564.db2.gz HBXXWBCEOGYAIF-ZOWXZIJZSA-N 1 0 291.351 -1.037 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001182692516 781726376 /nfs/dbraw/zinc/72/63/76/781726376.db2.gz MCADKDKNMQXIFW-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001182700465 781726459 /nfs/dbraw/zinc/72/64/59/781726459.db2.gz DXNZPSXFMKQWOF-WDMOLILDSA-N 1 0 292.339 -1.147 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182598776 781726489 /nfs/dbraw/zinc/72/64/89/781726489.db2.gz LXXCEZVKPARGRK-SNVBAGLBSA-N 1 0 291.315 -2.387 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001182803806 781727017 /nfs/dbraw/zinc/72/70/17/781727017.db2.gz WYGDANOCHZLHBD-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879442 781730512 /nfs/dbraw/zinc/73/05/12/781730512.db2.gz NTCQFDDFRDIVOJ-SNVBAGLBSA-N 1 0 291.315 -1.892 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879114 781730736 /nfs/dbraw/zinc/73/07/36/781730736.db2.gz FYCMPZJTMZEYOW-LLVKDONJSA-N 1 0 290.327 -1.782 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300445 781731842 /nfs/dbraw/zinc/73/18/42/781731842.db2.gz MDEIBJAYLBGLCY-SNVBAGLBSA-N 1 0 291.373 -1.414 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001183007613 781733903 /nfs/dbraw/zinc/73/39/03/781733903.db2.gz OCXSNYLTNUNZOY-LLVKDONJSA-N 1 0 267.329 -1.085 20 30 CAEDRO C=C(C[NH+]1CCCC1)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001183091451 781737474 /nfs/dbraw/zinc/73/74/74/781737474.db2.gz GRCZGHSDMWTEAC-SDDRHHMPSA-N 1 0 280.376 -1.843 20 30 CAEDRO C=C(C[NH+]1CCCC1)C(=O)NC(CO)(CO)CO ZINC001183079936 781737647 /nfs/dbraw/zinc/73/76/47/781737647.db2.gz IDCLIDBEVBUEIC-UHFFFAOYSA-N 1 0 258.318 -1.530 20 30 CAEDRO C=C(C[NH+]1CCCC1)C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001183091448 781737865 /nfs/dbraw/zinc/73/78/65/781737865.db2.gz GRCZGHSDMWTEAC-GRYCIOLGSA-N 1 0 280.376 -1.843 20 30 CAEDRO Cc1nccc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001151306303 781738000 /nfs/dbraw/zinc/73/80/00/781738000.db2.gz DYOGBEAPWTUXNR-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183055238 781739001 /nfs/dbraw/zinc/73/90/01/781739001.db2.gz WLWXHGZBYZGYFM-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055279 781739062 /nfs/dbraw/zinc/73/90/62/781739062.db2.gz YWUJIWMXBVXEEK-SNVBAGLBSA-N 1 0 295.343 -2.145 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183721004 781753635 /nfs/dbraw/zinc/75/36/35/781753635.db2.gz CVJSVUVZUFIGQH-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183720983 781753766 /nfs/dbraw/zinc/75/37/66/781753766.db2.gz BSXLASZYZXGDHC-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001183783092 781758054 /nfs/dbraw/zinc/75/80/54/781758054.db2.gz PQHLLSVUJRYACD-CYBMUJFWSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC[C@@H](C)C(=O)NCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001151366091 781759435 /nfs/dbraw/zinc/75/94/35/781759435.db2.gz HSONTTBOIFHYJN-SNVBAGLBSA-N 1 0 297.359 -1.506 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183903753 781759602 /nfs/dbraw/zinc/75/96/02/781759602.db2.gz XEXXVMPFOQEVIB-NXEZZACHSA-N 1 0 290.327 -1.253 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183903755 781759920 /nfs/dbraw/zinc/75/99/20/781759920.db2.gz XEXXVMPFOQEVIB-VHSXEESVSA-N 1 0 290.327 -1.253 20 30 CAEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184618503 781769014 /nfs/dbraw/zinc/76/90/14/781769014.db2.gz CJHDJYOHBAZZMW-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2csnn2)C1 ZINC001184660599 781769715 /nfs/dbraw/zinc/76/97/15/781769715.db2.gz RGUBYWKGOBHMAU-MRVPVSSYSA-N 1 0 294.340 -1.018 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184629288 781769757 /nfs/dbraw/zinc/76/97/57/781769757.db2.gz VSQWNJXRAJXHGK-SECBINFHSA-N 1 0 276.362 -1.583 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184619134 781770197 /nfs/dbraw/zinc/77/01/97/781770197.db2.gz OQLHPJPASAPMHV-SNVBAGLBSA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184833152 781770286 /nfs/dbraw/zinc/77/02/86/781770286.db2.gz BHYNWKSAGJIWDW-GHMZBOCLSA-N 1 0 292.339 -1.938 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815253 781770418 /nfs/dbraw/zinc/77/04/18/781770418.db2.gz PFXHYKHIYWGKLN-GFCCVEGCSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001184778659 781770733 /nfs/dbraw/zinc/77/07/33/781770733.db2.gz OAYWOSZMSRDOTL-SNVBAGLBSA-N 1 0 290.327 -1.333 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924496 781771620 /nfs/dbraw/zinc/77/16/20/781771620.db2.gz LUCINXJWPWVWKN-SNVBAGLBSA-N 1 0 278.316 -1.336 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184857916 781771680 /nfs/dbraw/zinc/77/16/80/781771680.db2.gz BFPYEEPVZPRJRT-MNOVXSKESA-N 1 0 294.355 -1.385 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184841806 781772024 /nfs/dbraw/zinc/77/20/24/781772024.db2.gz NEJPDCIDEQMMEK-GHMZBOCLSA-N 1 0 296.371 -1.009 20 30 CAEDRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185040564 781772775 /nfs/dbraw/zinc/77/27/75/781772775.db2.gz PAXKSSLAGUIBDR-NXEZZACHSA-N 1 0 295.343 -1.814 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185039584 781773122 /nfs/dbraw/zinc/77/31/22/781773122.db2.gz CZOLUVBLMCNKDL-GHMZBOCLSA-N 1 0 296.371 -1.152 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185039587 781773247 /nfs/dbraw/zinc/77/32/47/781773247.db2.gz CZOLUVBLMCNKDL-WDEREUQCSA-N 1 0 296.371 -1.152 20 30 CAEDRO C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185040567 781773587 /nfs/dbraw/zinc/77/35/87/781773587.db2.gz PAXKSSLAGUIBDR-ZJUUUORDSA-N 1 0 295.343 -1.814 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925802 781773595 /nfs/dbraw/zinc/77/35/95/781773595.db2.gz YASTXXYYMZDAHU-SECBINFHSA-N 1 0 293.331 -1.684 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC001185256542 781776643 /nfs/dbraw/zinc/77/66/43/781776643.db2.gz DUQRPESPHLARHH-GHMZBOCLSA-N 1 0 252.318 -1.017 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185256449 781776791 /nfs/dbraw/zinc/77/67/91/781776791.db2.gz GZYPCKZTOGRDPD-ZJUUUORDSA-N 1 0 293.327 -2.392 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCOC[C@H]1C#N ZINC001185258706 781778941 /nfs/dbraw/zinc/77/89/41/781778941.db2.gz YOUCGVOTYGRAGO-MNOVXSKESA-N 1 0 252.318 -1.017 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185261266 781779413 /nfs/dbraw/zinc/77/94/13/781779413.db2.gz CNHQFPWKFUCFQO-IUCAKERBSA-N 1 0 275.374 -1.180 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185267624 781781577 /nfs/dbraw/zinc/78/15/77/781781577.db2.gz WDANHAAFEBMORP-UWVGGRQHSA-N 1 0 268.317 -1.196 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289779 781783273 /nfs/dbraw/zinc/78/32/73/781783273.db2.gz UFUBKHQOWAYBKF-SECBINFHSA-N 1 0 293.327 -1.918 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185321654 781784085 /nfs/dbraw/zinc/78/40/85/781784085.db2.gz JYAQMYOELVBQHL-RKDXNWHRSA-N 1 0 266.301 -2.200 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001185539105 781787069 /nfs/dbraw/zinc/78/70/69/781787069.db2.gz HASSYTHAAOSJHH-NEPJUHHUSA-N 1 0 297.355 -1.412 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684245 781788071 /nfs/dbraw/zinc/78/80/71/781788071.db2.gz IJTKFWGIVSQTGA-MXWKQRLJSA-N 1 0 292.339 -1.952 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689736 781788945 /nfs/dbraw/zinc/78/89/45/781788945.db2.gz JTPMKGPSQBULNA-UTUOFQBUSA-N 1 0 279.340 -1.052 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185905312 781791239 /nfs/dbraw/zinc/79/12/39/781791239.db2.gz QOVGMPNIQWJWOW-VHSXEESVSA-N 1 0 273.358 -1.252 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941381 781791282 /nfs/dbraw/zinc/79/12/82/781791282.db2.gz ZLGSVEQZWDFXPR-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001185959445 781791703 /nfs/dbraw/zinc/79/17/03/781791703.db2.gz LAPRTSDOYAXWSH-SNVBAGLBSA-N 1 0 290.389 -1.241 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186119603 781801011 /nfs/dbraw/zinc/80/10/11/781801011.db2.gz UBLYLXGCCYLEEN-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186118086 781802793 /nfs/dbraw/zinc/80/27/93/781802793.db2.gz FIXVSDZJUBBLNT-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001186117874 781802876 /nfs/dbraw/zinc/80/28/76/781802876.db2.gz AUCMZPGQWXTZNW-MNOVXSKESA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312311 781804270 /nfs/dbraw/zinc/80/42/70/781804270.db2.gz MBAKDFPTCZLYLZ-SNVBAGLBSA-N 1 0 292.343 -1.079 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001186371047 781805844 /nfs/dbraw/zinc/80/58/44/781805844.db2.gz ANWXQNLDLGRALT-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464909 781806080 /nfs/dbraw/zinc/80/60/80/781806080.db2.gz RVNIYQBUFCVSAM-NSHDSACASA-N 1 0 279.340 -1.050 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396606 781806493 /nfs/dbraw/zinc/80/64/93/781806493.db2.gz XUVXMPBSQSFNHG-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151586741 781813149 /nfs/dbraw/zinc/81/31/49/781813149.db2.gz LAVMAXPQMLHXKK-CYBMUJFWSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186811817 781813379 /nfs/dbraw/zinc/81/33/79/781813379.db2.gz JWDSSKBYFFSJET-VHSXEESVSA-N 1 0 250.302 -1.179 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221414 781816206 /nfs/dbraw/zinc/81/62/06/781816206.db2.gz YXMHGAYYDWMGET-MNOVXSKESA-N 1 0 294.355 -1.242 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221181 781817053 /nfs/dbraw/zinc/81/70/53/781817053.db2.gz URLOGNQAHFQVKR-ZJUUUORDSA-N 1 0 293.327 -1.905 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698750 781827291 /nfs/dbraw/zinc/82/72/91/781827291.db2.gz KLNQMDQENXMMBZ-SECBINFHSA-N 1 0 296.331 -2.125 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187671257 781827950 /nfs/dbraw/zinc/82/79/50/781827950.db2.gz DJKNSTCMAJLAIK-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO Cn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001187826069 781831343 /nfs/dbraw/zinc/83/13/43/781831343.db2.gz UJAZOXFMMMEBLQ-SNVBAGLBSA-N 1 0 290.327 -1.136 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001187887923 781832295 /nfs/dbraw/zinc/83/22/95/781832295.db2.gz UTERIOGWSDOEAW-GHMZBOCLSA-N 1 0 285.369 -1.108 20 30 CAEDRO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188302252 781836897 /nfs/dbraw/zinc/83/68/97/781836897.db2.gz XMBKPNWEWCNIED-VHSXEESVSA-N 1 0 298.343 -1.037 20 30 CAEDRO C#Cc1ccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)cc1 ZINC001188743082 781843240 /nfs/dbraw/zinc/84/32/40/781843240.db2.gz YWICEDZDNGKXBY-AGIUHOORSA-N 1 0 271.324 -1.199 20 30 CAEDRO C#Cc1ccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)cc1 ZINC001188743083 781843895 /nfs/dbraw/zinc/84/38/95/781843895.db2.gz YWICEDZDNGKXBY-AVGNSLFASA-N 1 0 271.324 -1.199 20 30 CAEDRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 ZINC001191161564 781901695 /nfs/dbraw/zinc/90/16/95/781901695.db2.gz DRVBFDROPZGBJP-OPRDCNLKSA-N 1 0 273.358 -1.215 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 ZINC001189390163 781852700 /nfs/dbraw/zinc/85/27/00/781852700.db2.gz OCKJEMPFIPUKMU-BDAKNGLRSA-N 1 0 281.316 -1.126 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 ZINC001189390164 781853432 /nfs/dbraw/zinc/85/34/32/781853432.db2.gz OCKJEMPFIPUKMU-DTWKUNHWSA-N 1 0 281.316 -1.126 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCN(CC)C(=O)C(N)=O ZINC001273581811 781859331 /nfs/dbraw/zinc/85/93/31/781859331.db2.gz KITAWRJUQUXQFQ-UHFFFAOYSA-N 1 0 297.359 -1.328 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196044 781872385 /nfs/dbraw/zinc/87/23/85/781872385.db2.gz QWBIBBRXPSNOIF-GFCCVEGCSA-N 1 0 292.343 -1.144 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190709697 781882647 /nfs/dbraw/zinc/88/26/47/781882647.db2.gz VNTFUYNQUAJIBG-GHMZBOCLSA-N 1 0 253.302 -1.693 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190709522 781883355 /nfs/dbraw/zinc/88/33/55/781883355.db2.gz PJYFQQNRCFTOMR-GHMZBOCLSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001190894635 781893920 /nfs/dbraw/zinc/89/39/20/781893920.db2.gz IKJDGQTXPDVMKO-YUSALJHKSA-N 1 0 267.329 -1.304 20 30 CAEDRO C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922670 781894056 /nfs/dbraw/zinc/89/40/56/781894056.db2.gz LCQWXEDIEOQTRM-GHMZBOCLSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001190895150 781894169 /nfs/dbraw/zinc/89/41/69/781894169.db2.gz RITZUGDNSFPISM-CYZMBNFOSA-N 1 0 299.371 -1.125 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977687 781894901 /nfs/dbraw/zinc/89/49/01/781894901.db2.gz LWTDEJJOQXWQBE-RKDXNWHRSA-N 1 0 254.290 -2.161 20 30 CAEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001190989350 781895182 /nfs/dbraw/zinc/89/51/82/781895182.db2.gz OJZKZRDQEOWAQU-LBPRGKRZSA-N 1 0 296.371 -1.043 20 30 CAEDRO N#CCSCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001191149535 781898232 /nfs/dbraw/zinc/89/82/32/781898232.db2.gz XFJOYOKYCJQVPE-NXEZZACHSA-N 1 0 273.358 -1.213 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191321839 781904237 /nfs/dbraw/zinc/90/42/37/781904237.db2.gz UPBRJYGWAPODMT-VXGBXAGGSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191321002 781905125 /nfs/dbraw/zinc/90/51/25/781905125.db2.gz FOGNUBRATCPKCB-RKDXNWHRSA-N 1 0 257.290 -1.310 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191392018 781906265 /nfs/dbraw/zinc/90/62/65/781906265.db2.gz FHDBFPXNXPDAAB-NXEZZACHSA-N 1 0 269.301 -1.473 20 30 CAEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191562107 781912711 /nfs/dbraw/zinc/91/27/11/781912711.db2.gz YBKRYTINCOTHMP-JTQLQIEISA-N 1 0 290.389 -1.241 20 30 CAEDRO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191695968 781917301 /nfs/dbraw/zinc/91/73/01/781917301.db2.gz LZQXJUGLTNBXKT-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCC(=O)NCC ZINC001486265072 893022723 /nfs/dbraw/zinc/02/27/23/893022723.db2.gz LOABTESTIDIPQY-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001507234253 894008454 /nfs/dbraw/zinc/00/84/54/894008454.db2.gz WJVIMHYBTRGTCZ-AEJSXWLSSA-N 1 0 253.302 -1.802 20 30 CAEDRO C=CCOC[C@H](O)CN[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245980947 884079372 /nfs/dbraw/zinc/07/93/72/884079372.db2.gz DRWUZXCRUSBSGL-FOGDFJRCSA-N 1 0 255.318 -1.282 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCCS(N)(=O)=O ZINC001268324244 884093075 /nfs/dbraw/zinc/09/30/75/884093075.db2.gz UEQYUMGVHOFDBP-SECBINFHSA-N 1 0 277.346 -2.245 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccsn1 ZINC001278099809 884103781 /nfs/dbraw/zinc/10/37/81/884103781.db2.gz PTCAPKVBXZKGBG-MRVPVSSYSA-N 1 0 297.340 -1.537 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CCO)C(=O)c1cc(C#N)c[nH]1 ZINC001278742694 884108873 /nfs/dbraw/zinc/10/88/73/884108873.db2.gz DQGBZWUFRNYRKX-JTQLQIEISA-N 1 0 266.301 -1.099 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CCO)C(=O)c1cc(C#N)c[nH]1 ZINC001278742695 884108945 /nfs/dbraw/zinc/10/89/45/884108945.db2.gz DQGBZWUFRNYRKX-SNVBAGLBSA-N 1 0 266.301 -1.099 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001268299659 884093630 /nfs/dbraw/zinc/09/36/30/884093630.db2.gz MIGVUFQFKDHETG-SECBINFHSA-N 1 0 252.278 -2.237 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001268301254 884093650 /nfs/dbraw/zinc/09/36/50/884093650.db2.gz LJBOBCCAIXKPRY-NSHDSACASA-N 1 0 280.328 -1.250 20 30 CAEDRO N#CCC[C@H](C#N)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001307927756 884129174 /nfs/dbraw/zinc/12/91/74/884129174.db2.gz DUOSKGPPUFJNDB-UTLUCORTSA-N 1 0 263.301 -1.051 20 30 CAEDRO C[C@]12C[NH+](CC(=O)NCC#N)C[C@]1(C)C(=O)NC2=O ZINC001307994632 884129327 /nfs/dbraw/zinc/12/93/27/884129327.db2.gz SAYRQBGASKNQPV-VXGBXAGGSA-N 1 0 264.285 -1.389 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001317355753 884192383 /nfs/dbraw/zinc/19/23/83/884192383.db2.gz MEUBBMJGIDYIBT-NXEZZACHSA-N 1 0 280.328 -1.762 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317469320 884202789 /nfs/dbraw/zinc/20/27/89/884202789.db2.gz DVCSHGZEFWHRSU-GFCCVEGCSA-N 1 0 280.372 -1.265 20 30 CAEDRO CC#CC[N@@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001317469497 884203462 /nfs/dbraw/zinc/20/34/62/884203462.db2.gz FOEQCDBEJRJFET-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C=C(C)C[NH2+]CCN(C)C(=O)CNS(=O)(=O)NC ZINC001317614657 884227482 /nfs/dbraw/zinc/22/74/82/884227482.db2.gz NZSNHHVCZCQVCQ-UHFFFAOYSA-N 1 0 278.378 -1.336 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001318173632 884258278 /nfs/dbraw/zinc/25/82/78/884258278.db2.gz VDGSLSRTDOHYJU-UHFFFAOYSA-N 1 0 266.301 -1.228 20 30 CAEDRO CC[C@H](CNC(=O)Cn1cnnn1)[NH2+]CC#CCOC ZINC001318495965 884282073 /nfs/dbraw/zinc/28/20/73/884282073.db2.gz HUYJJTWEDHNECQ-LLVKDONJSA-N 1 0 280.332 -1.193 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319186070 884314056 /nfs/dbraw/zinc/31/40/56/884314056.db2.gz PLVMKFNJWXPAGD-VHSXEESVSA-N 1 0 298.343 -1.439 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001319539089 884338718 /nfs/dbraw/zinc/33/87/18/884338718.db2.gz DUCIZOQUMSZAES-VIFPVBQESA-N 1 0 294.311 -1.523 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001319453067 884331786 /nfs/dbraw/zinc/33/17/86/884331786.db2.gz DUHGEAKCSXQCEK-ZJUUUORDSA-N 1 0 255.318 -1.054 20 30 CAEDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cn1cnc(C#N)n1 ZINC001320093355 884375848 /nfs/dbraw/zinc/37/58/48/884375848.db2.gz WZHASCSFRRPXBT-LLVKDONJSA-N 1 0 266.305 -1.421 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(C)=O)C1=O ZINC001320188109 884380665 /nfs/dbraw/zinc/38/06/65/884380665.db2.gz MQTFHAXBKDXXIX-GHMZBOCLSA-N 1 0 255.318 -1.140 20 30 CAEDRO CC(F)(F)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001320190593 884382250 /nfs/dbraw/zinc/38/22/50/884382250.db2.gz ZDUJMLCQJIKSNT-SSDOTTSWSA-N 1 0 278.259 -1.652 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001320202966 884385080 /nfs/dbraw/zinc/38/50/80/884385080.db2.gz LJGONHRRVLBUKH-WDEREUQCSA-N 1 0 283.328 -2.161 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001320204611 884389919 /nfs/dbraw/zinc/38/99/19/884389919.db2.gz ZFQSWAJJYMTIKM-DTWKUNHWSA-N 1 0 292.361 -2.238 20 30 CAEDRO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001320199862 884387325 /nfs/dbraw/zinc/38/73/25/884387325.db2.gz CFYLAURMJIXRSD-SCZZXKLOSA-N 1 0 266.301 -1.053 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001320236360 884399572 /nfs/dbraw/zinc/39/95/72/884399572.db2.gz XREGYLGALDDGGX-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001320259196 884402562 /nfs/dbraw/zinc/40/25/62/884402562.db2.gz QAWRFSQNZIBFBP-QMMMGPOBSA-N 1 0 254.290 -1.008 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)CC(N)=O ZINC001320260225 884403374 /nfs/dbraw/zinc/40/33/74/884403374.db2.gz TXGROEGPNPHTBN-MNOVXSKESA-N 1 0 285.344 -1.786 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001320270197 884405226 /nfs/dbraw/zinc/40/52/26/884405226.db2.gz KDJKHSAIPCUDJM-SECBINFHSA-N 1 0 253.302 -1.658 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CNC(C)=O ZINC001320331346 884413373 /nfs/dbraw/zinc/41/33/73/884413373.db2.gz FJKFVYPXOURPGS-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccnc1 ZINC001320318761 884413460 /nfs/dbraw/zinc/41/34/60/884413460.db2.gz XZOJXAMMKZMASS-NSHDSACASA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccnn1C ZINC001321468196 884497258 /nfs/dbraw/zinc/49/72/58/884497258.db2.gz FVRKSMGNNNRHRK-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001321468081 884497503 /nfs/dbraw/zinc/49/75/03/884497503.db2.gz BHQLQDVETSEKFA-NXEZZACHSA-N 1 0 280.328 -1.891 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001321514124 884500476 /nfs/dbraw/zinc/50/04/76/884500476.db2.gz MGXVRRDXCFPAJL-ZJUUUORDSA-N 1 0 298.343 -1.425 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001321567156 884503217 /nfs/dbraw/zinc/50/32/17/884503217.db2.gz BFUVUGQPEOKXLL-MRVPVSSYSA-N 1 0 266.305 -1.185 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1csnn1 ZINC001321599476 884504278 /nfs/dbraw/zinc/50/42/78/884504278.db2.gz DNUBHORNAHHWQQ-MRVPVSSYSA-N 1 0 281.341 -1.005 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CNC(=O)N1 ZINC001321966152 884529881 /nfs/dbraw/zinc/52/98/81/884529881.db2.gz MMBCKEPTDOGNLD-YUMQZZPRSA-N 1 0 282.304 -2.598 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ncccn1 ZINC001322023135 884532923 /nfs/dbraw/zinc/53/29/23/884532923.db2.gz MZMFCAOKSSRTKG-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001323244014 884602144 /nfs/dbraw/zinc/60/21/44/884602144.db2.gz BAIPKJUILBVNBR-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)CNS(=O)(=O)NC ZINC001324198616 884654834 /nfs/dbraw/zinc/65/48/34/884654834.db2.gz DZKWYWOFJDZRIP-JTQLQIEISA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001325127240 884708404 /nfs/dbraw/zinc/70/84/04/884708404.db2.gz UGZOBEIFXQMEMP-NRUUGDAUSA-N 1 0 265.313 -1.706 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001325098440 884709374 /nfs/dbraw/zinc/70/93/74/884709374.db2.gz SJRALDZIQDPTHS-NSHDSACASA-N 1 0 264.289 -2.141 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001325161465 884713111 /nfs/dbraw/zinc/71/31/11/884713111.db2.gz OKCIYWFHLBJUSF-GFCCVEGCSA-N 1 0 270.333 -1.216 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001325153504 884714099 /nfs/dbraw/zinc/71/40/99/884714099.db2.gz LEMALLGESQKXFR-GWCFXTLKSA-N 1 0 265.313 -1.549 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C1 ZINC001325740311 884738846 /nfs/dbraw/zinc/73/88/46/884738846.db2.gz HGAAWYFMZRYBHW-TXEJJXNPSA-N 1 0 299.396 -1.051 20 30 CAEDRO N#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001325761274 884738916 /nfs/dbraw/zinc/73/89/16/884738916.db2.gz ILOYJXVPYUQTBN-DTORHVGOSA-N 1 0 279.300 -2.498 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001326034521 884758129 /nfs/dbraw/zinc/75/81/29/884758129.db2.gz UDOAGAASANCSSA-LBPRGKRZSA-N 1 0 281.356 -1.102 20 30 CAEDRO N#CCNC(=O)CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326778523 884827584 /nfs/dbraw/zinc/82/75/84/884827584.db2.gz XPEGWBMHWSFOAG-VHSXEESVSA-N 1 0 281.316 -1.913 20 30 CAEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001328758347 885019917 /nfs/dbraw/zinc/01/99/17/885019917.db2.gz TUVGCKFBHSWAKW-ZJUUUORDSA-N 1 0 268.317 -1.331 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCS1(=O)=O ZINC001329098788 885061038 /nfs/dbraw/zinc/06/10/38/885061038.db2.gz CEPWBKJYZRHROH-IWSPIJDZSA-N 1 0 257.315 -1.209 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329108972 885066622 /nfs/dbraw/zinc/06/66/22/885066622.db2.gz JFJWZPHVTJNDRY-YUMQZZPRSA-N 1 0 254.290 -2.296 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C)[NH3+])nn1 ZINC001329126260 885070488 /nfs/dbraw/zinc/07/04/88/885070488.db2.gz LUMABVBKGLTAEU-MRVPVSSYSA-N 1 0 266.305 -1.456 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001330058277 885173472 /nfs/dbraw/zinc/17/34/72/885173472.db2.gz WSHXRPHNJMEVKK-HBNTYKKESA-N 1 0 265.313 -1.286 20 30 CAEDRO C[C@@H]1C[NH+]=C(NCCC(=O)N[C@H]2CCS(=O)(=O)C2)N1 ZINC001330022569 885166599 /nfs/dbraw/zinc/16/65/99/885166599.db2.gz XGPXQAVFABYYTP-BDAKNGLRSA-N 1 0 288.373 -1.383 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)C(=O)OC)CC1 ZINC001330503381 885198647 /nfs/dbraw/zinc/19/86/47/885198647.db2.gz FFMHMXJULXPIMM-LLVKDONJSA-N 1 0 268.313 -1.018 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001331377579 885274125 /nfs/dbraw/zinc/27/41/25/885274125.db2.gz RWJPWSBMKWPFOS-VHSXEESVSA-N 1 0 297.359 -1.413 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC001331488735 885279939 /nfs/dbraw/zinc/27/99/39/885279939.db2.gz PQPVEAICGXKIPN-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO C[C@H](CN(C)C(=O)C1(C(N)=O)CC1)[NH2+]CC(=O)NCC#N ZINC001331545992 885289128 /nfs/dbraw/zinc/28/91/28/885289128.db2.gz WKIFDSWBWRGZHV-SECBINFHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC001331588515 885292613 /nfs/dbraw/zinc/29/26/13/885292613.db2.gz JDHOVTPEMBNXLX-VIFPVBQESA-N 1 0 291.373 -1.491 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CNC(C)=O ZINC001331663414 885306060 /nfs/dbraw/zinc/30/60/60/885306060.db2.gz JAGSKTPPDGHHHK-MWLCHTKSSA-N 1 0 298.343 -2.673 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001331667056 885306124 /nfs/dbraw/zinc/30/61/24/885306124.db2.gz PFAFXMHJJLZZEZ-MRVPVSSYSA-N 1 0 250.258 -1.504 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001331699227 885313160 /nfs/dbraw/zinc/31/31/60/885313160.db2.gz ZGUVCLLTUAADAR-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001331704559 885317501 /nfs/dbraw/zinc/31/75/01/885317501.db2.gz HETJUIMTADHYKG-UWVGGRQHSA-N 1 0 286.332 -2.240 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001331738037 885327050 /nfs/dbraw/zinc/32/70/50/885327050.db2.gz FGQDRSYDZUKCNC-VIFPVBQESA-N 1 0 264.285 -1.114 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001331738831 885327878 /nfs/dbraw/zinc/32/78/78/885327878.db2.gz DLLFFPVVDXKWEJ-ZJUUUORDSA-N 1 0 274.342 -1.879 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001331742217 885329531 /nfs/dbraw/zinc/32/95/31/885329531.db2.gz YAHGAIYZNPXJLC-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N(C)CCOCC[NH2+]C ZINC001331778703 885346312 /nfs/dbraw/zinc/34/63/12/885346312.db2.gz CWDGCJMXCPSGPQ-UHFFFAOYSA-N 1 0 255.318 -1.228 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC001331812895 885353549 /nfs/dbraw/zinc/35/35/49/885353549.db2.gz WUBFHGAECNMBEE-NEPJUHHUSA-N 1 0 279.340 -1.221 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC)[C@H]1C ZINC001331841756 885355141 /nfs/dbraw/zinc/35/51/41/885355141.db2.gz NIWFEYRTUHQCER-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001331837616 885356990 /nfs/dbraw/zinc/35/69/90/885356990.db2.gz ZAYOIYHZTRGDRS-MNOVXSKESA-N 1 0 288.369 -1.346 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001331834527 885358109 /nfs/dbraw/zinc/35/81/09/885358109.db2.gz IIUGPVLPGHXKOS-VIFPVBQESA-N 1 0 269.301 -1.612 20 30 CAEDRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001331853543 885358613 /nfs/dbraw/zinc/35/86/13/885358613.db2.gz UKACPASTHVRTAS-NSHDSACASA-N 1 0 298.343 -1.568 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccnnc1 ZINC001331791963 885347729 /nfs/dbraw/zinc/34/77/29/885347729.db2.gz XTMWZJXVKZEJJM-GFCCVEGCSA-N 1 0 278.312 -1.193 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccnnc1 ZINC001331791964 885349461 /nfs/dbraw/zinc/34/94/61/885349461.db2.gz XTMWZJXVKZEJJM-LBPRGKRZSA-N 1 0 278.312 -1.193 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001331819057 885349796 /nfs/dbraw/zinc/34/97/96/885349796.db2.gz KYTZDDVABZZNQR-JTQLQIEISA-N 1 0 278.312 -1.516 20 30 CAEDRO C[NH2+]C[C@H](O)CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC001332357149 885403657 /nfs/dbraw/zinc/40/36/57/885403657.db2.gz PCIHASKJYDYZCL-NSHDSACASA-N 1 0 298.368 -1.103 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001332476897 885413023 /nfs/dbraw/zinc/41/30/23/885413023.db2.gz USPAYRCKEZDFMF-LLVKDONJSA-N 1 0 265.317 -1.290 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001332503621 885415184 /nfs/dbraw/zinc/41/51/84/885415184.db2.gz JSDVQTHBWUKBOV-SNVBAGLBSA-N 1 0 265.317 -1.139 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001332553770 885420425 /nfs/dbraw/zinc/42/04/25/885420425.db2.gz XUCUJZZQQIXPMY-WDEREUQCSA-N 1 0 282.344 -1.558 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332647423 885428473 /nfs/dbraw/zinc/42/84/73/885428473.db2.gz KFNPAWTYHNWUQS-RYUDHWBXSA-N 1 0 281.356 -1.103 20 30 CAEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001332664877 885428526 /nfs/dbraw/zinc/42/85/26/885428526.db2.gz XSCUXEHBIRKDSE-QWRGUYRKSA-N 1 0 284.360 -1.005 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332647413 885428879 /nfs/dbraw/zinc/42/88/79/885428879.db2.gz KFNPAWTYHNWUQS-NWDGAFQWSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001332618804 885430422 /nfs/dbraw/zinc/43/04/22/885430422.db2.gz MMZBPRKAJSEYMK-WDEREUQCSA-N 1 0 267.329 -1.351 20 30 CAEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001332664878 885430520 /nfs/dbraw/zinc/43/05/20/885430520.db2.gz XSCUXEHBIRKDSE-WDEREUQCSA-N 1 0 284.360 -1.005 20 30 CAEDRO COC[C@@H](C(N)=O)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC001333215364 885464501 /nfs/dbraw/zinc/46/45/01/885464501.db2.gz OESSWVJXXUNZPK-NSHDSACASA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cn(C)nn1 ZINC001334054826 885520575 /nfs/dbraw/zinc/52/05/75/885520575.db2.gz UVAKVXVMHVBIHY-UHFFFAOYSA-N 1 0 278.316 -1.175 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001335233959 885595935 /nfs/dbraw/zinc/59/59/35/885595935.db2.gz WHPFCNWAPQELSK-GMTAPVOTSA-N 1 0 265.313 -1.429 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001335397394 885618203 /nfs/dbraw/zinc/61/82/03/885618203.db2.gz GQLJWYPBKFFLDH-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CC(=O)NCCN1CCOCC1 ZINC001335399855 885618235 /nfs/dbraw/zinc/61/82/35/885618235.db2.gz JLHRNGNPVFSULB-UHFFFAOYSA-N 1 0 296.371 -1.836 20 30 CAEDRO C[NH+]1CCC(OCC(=O)NCC(=O)NCC#N)CC1 ZINC001336303447 885657121 /nfs/dbraw/zinc/65/71/21/885657121.db2.gz JAPHXMFGXDNEGT-UHFFFAOYSA-N 1 0 268.317 -1.147 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001340736622 885811323 /nfs/dbraw/zinc/81/13/23/885811323.db2.gz SPIBYYCRTZQSRG-JTQLQIEISA-N 1 0 289.357 -2.014 20 30 CAEDRO C=CCn1cc(CNC(=O)[C@@H]2C[NH2+]CCN2C)nn1 ZINC001341145605 885826201 /nfs/dbraw/zinc/82/62/01/885826201.db2.gz NDFMKRWCYSALFK-NSHDSACASA-N 1 0 264.333 -1.016 20 30 CAEDRO CS(=O)(=O)C1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001341649393 885848525 /nfs/dbraw/zinc/84/85/25/885848525.db2.gz KEZBCECPNODOCZ-JGVFFNPUSA-N 1 0 257.315 -1.209 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCOC[C@@H]1CNC(=O)NC ZINC001342292535 885879133 /nfs/dbraw/zinc/87/91/33/885879133.db2.gz XZIYHTPVWXCXPF-JTQLQIEISA-N 1 0 268.317 -1.634 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@](O)(C(N)=O)C2)CC1 ZINC001343450111 885917734 /nfs/dbraw/zinc/91/77/34/885917734.db2.gz DGFDJMHRQLNVMF-CQSZACIVSA-N 1 0 279.340 -1.220 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001343148354 885906527 /nfs/dbraw/zinc/90/65/27/885906527.db2.gz XBRQNDFMAQJTOR-UHFFFAOYSA-N 1 0 264.285 -1.322 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC001348345482 886074513 /nfs/dbraw/zinc/07/45/13/886074513.db2.gz VDHDJIHRZHAQCE-BDAKNGLRSA-N 1 0 252.274 -1.785 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001368892442 887503902 /nfs/dbraw/zinc/50/39/02/887503902.db2.gz FWEPLRMJWCCYKQ-JTQLQIEISA-N 1 0 282.344 -1.083 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001382383186 888341820 /nfs/dbraw/zinc/34/18/20/888341820.db2.gz BTSVVDCGQJCOBN-VHSXEESVSA-N 1 0 270.333 -1.357 20 30 CAEDRO CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001420100889 890384012 /nfs/dbraw/zinc/38/40/12/890384012.db2.gz IJJIMBUPYKCRCF-GHMZBOCLSA-N 1 0 284.360 -1.015 20 30 CAEDRO CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001420100903 890384244 /nfs/dbraw/zinc/38/42/44/890384244.db2.gz IJJIMBUPYKCRCF-QWRGUYRKSA-N 1 0 284.360 -1.015 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001047334006 884018816 /nfs/dbraw/zinc/01/88/16/884018816.db2.gz VOOHTRJGTXRIMC-MELADBBJSA-N 1 0 295.383 -1.156 20 30 CAEDRO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329701 884026953 /nfs/dbraw/zinc/02/69/53/884026953.db2.gz RSDBQCRVOUDPTG-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329783 884028329 /nfs/dbraw/zinc/02/83/29/884028329.db2.gz UZMGRWZPPUTDJS-ZJUUUORDSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001083653932 884030938 /nfs/dbraw/zinc/03/09/38/884030938.db2.gz LKOMNHVSZMXPDA-PWSUYJOCSA-N 1 0 290.323 -1.422 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439881 884033335 /nfs/dbraw/zinc/03/33/35/884033335.db2.gz RYLHHJUFCYLVAS-UTLUCORTSA-N 1 0 269.301 -1.168 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363312 884042744 /nfs/dbraw/zinc/04/27/44/884042744.db2.gz BKYOWZITWNNEFU-PJXYFTJBSA-N 1 0 299.396 -1.053 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115249670 884048840 /nfs/dbraw/zinc/04/88/40/884048840.db2.gz JZFWELGXBNDKPC-JZYVYDRUSA-N 1 0 273.358 -1.232 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnns1 ZINC001124159720 884053609 /nfs/dbraw/zinc/05/36/09/884053609.db2.gz QLZMCKDCMFGLPO-UHFFFAOYSA-N 1 0 268.302 -1.503 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125918400 884054642 /nfs/dbraw/zinc/05/46/42/884054642.db2.gz NTEUOKQVXAOQJN-QWRGUYRKSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125918903 884055752 /nfs/dbraw/zinc/05/57/52/884055752.db2.gz RQKDACUCCUPPKZ-SNVBAGLBSA-N 1 0 278.316 -1.706 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125918401 884056052 /nfs/dbraw/zinc/05/60/52/884056052.db2.gz NTEUOKQVXAOQJN-WDEREUQCSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125918398 884056512 /nfs/dbraw/zinc/05/65/12/884056512.db2.gz NTEUOKQVXAOQJN-GHMZBOCLSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125918399 884057533 /nfs/dbraw/zinc/05/75/33/884057533.db2.gz NTEUOKQVXAOQJN-MNOVXSKESA-N 1 0 292.343 -1.317 20 30 CAEDRO CCn1nnc(C)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129283980 884059267 /nfs/dbraw/zinc/05/92/67/884059267.db2.gz HYKCIQYHVIDNOH-UHFFFAOYSA-N 1 0 293.331 -1.434 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C ZINC001152084702 884063772 /nfs/dbraw/zinc/06/37/72/884063772.db2.gz UMFTTWBQIIYFGZ-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153455050 884064215 /nfs/dbraw/zinc/06/42/15/884064215.db2.gz AZHWWTQJYJOBOM-UHFFFAOYSA-N 1 0 268.317 -1.903 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001188126160 884069036 /nfs/dbraw/zinc/06/90/36/884069036.db2.gz RNKHDQDMDHNKKS-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001266800369 884089096 /nfs/dbraw/zinc/08/90/96/884089096.db2.gz UTSGEYXFTTYLIB-UHFFFAOYSA-N 1 0 252.318 -1.901 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](CC)NC(C)=O ZINC001268319950 884090851 /nfs/dbraw/zinc/09/08/51/884090851.db2.gz CJXJVNUNFIIOKE-QWRGUYRKSA-N 1 0 255.318 -1.399 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001268321201 884090870 /nfs/dbraw/zinc/09/08/70/884090870.db2.gz FGRQMETVYLADEI-SNVBAGLBSA-N 1 0 296.327 -1.544 20 30 CAEDRO CC[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001268301916 884091566 /nfs/dbraw/zinc/09/15/66/884091566.db2.gz SRAZWYMVOOWINB-UWVGGRQHSA-N 1 0 270.333 -1.261 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001268323316 884091599 /nfs/dbraw/zinc/09/15/99/884091599.db2.gz MRZUQLKRTRYEKA-SECBINFHSA-N 1 0 284.291 -1.121 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001268323334 884091981 /nfs/dbraw/zinc/09/19/81/884091981.db2.gz MRZUQLKRTRYEKA-VIFPVBQESA-N 1 0 284.291 -1.121 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268300450 884092661 /nfs/dbraw/zinc/09/26/61/884092661.db2.gz UOJFMPHJILAEJW-BDAKNGLRSA-N 1 0 277.346 -1.743 20 30 CAEDRO CC[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268301917 884093787 /nfs/dbraw/zinc/09/37/87/884093787.db2.gz SRAZWYMVOOWINB-VHSXEESVSA-N 1 0 270.333 -1.261 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)Cn1nc(C)n(C)c1=O ZINC001273731510 884100753 /nfs/dbraw/zinc/10/07/53/884100753.db2.gz AGIJNUIFWBDPCR-UHFFFAOYSA-N 1 0 279.344 -1.038 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)c1nc[nH]n1 ZINC001273572154 884100775 /nfs/dbraw/zinc/10/07/75/884100775.db2.gz UVAGLWRSDRNOQD-UHFFFAOYSA-N 1 0 292.343 -1.052 20 30 CAEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001273959515 884101169 /nfs/dbraw/zinc/10/11/69/884101169.db2.gz RVTIYVDWSRVHFD-VIFPVBQESA-N 1 0 268.317 -1.114 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001278099143 884105296 /nfs/dbraw/zinc/10/52/96/884105296.db2.gz FBNIXRFDVWOUAK-GWCFXTLKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001278099559 884105327 /nfs/dbraw/zinc/10/53/27/884105327.db2.gz MKQZMMFKIPCHAU-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001278100148 884104108 /nfs/dbraw/zinc/10/41/08/884104108.db2.gz UULZDTCSJODJGN-VXGBXAGGSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001278100122 884104179 /nfs/dbraw/zinc/10/41/79/884104179.db2.gz UEJPCMTUIISDKB-SNVBAGLBSA-N 1 0 278.312 -1.516 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001278094241 884104195 /nfs/dbraw/zinc/10/41/95/884104195.db2.gz USNOJSSTCVYQBY-RYUDHWBXSA-N 1 0 281.356 -1.007 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278100145 884105662 /nfs/dbraw/zinc/10/56/62/884105662.db2.gz UULZDTCSJODJGN-NEPJUHHUSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001278099145 884105849 /nfs/dbraw/zinc/10/58/49/884105849.db2.gz FBNIXRFDVWOUAK-MFKMUULPSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1=O ZINC001278093481 884105985 /nfs/dbraw/zinc/10/59/85/884105985.db2.gz LKDQOQIDPMQHRI-LLVKDONJSA-N 1 0 285.344 -1.512 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001278100067 884105992 /nfs/dbraw/zinc/10/59/92/884105992.db2.gz SODCUONIWMXOMZ-NWDGAFQWSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001278855971 884107609 /nfs/dbraw/zinc/10/76/09/884107609.db2.gz ZLHVZPBDBQSEAY-JTQLQIEISA-N 1 0 265.317 -1.187 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001278855972 884107438 /nfs/dbraw/zinc/10/74/38/884107438.db2.gz ZLHVZPBDBQSEAY-SNVBAGLBSA-N 1 0 265.317 -1.187 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001279801295 884107644 /nfs/dbraw/zinc/10/76/44/884107644.db2.gz VZNNNMZKQYLCGS-GFCCVEGCSA-N 1 0 281.356 -1.102 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001280648741 884107784 /nfs/dbraw/zinc/10/77/84/884107784.db2.gz OELHHFHGFDETCG-NSHDSACASA-N 1 0 293.327 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC1 ZINC001278719179 884108256 /nfs/dbraw/zinc/10/82/56/884108256.db2.gz FTWQARLUXFDQGB-NSHDSACASA-N 1 0 267.329 -1.445 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001278742843 884108636 /nfs/dbraw/zinc/10/86/36/884108636.db2.gz HFSSRJJYBWKDHU-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001308060255 884127994 /nfs/dbraw/zinc/12/79/94/884127994.db2.gz SOOKNUUPUDSTFH-LLVKDONJSA-N 1 0 287.385 -1.003 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NCCCS(N)(=O)=O ZINC001312934387 884142851 /nfs/dbraw/zinc/14/28/51/884142851.db2.gz LSAGFDDDWBOYQP-UHFFFAOYSA-N 1 0 276.362 -1.471 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001316621115 884149554 /nfs/dbraw/zinc/14/95/54/884149554.db2.gz LVLRAFFZSNGGEW-TUAOUCFPSA-N 1 0 294.355 -1.198 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001316617912 884150338 /nfs/dbraw/zinc/15/03/38/884150338.db2.gz NKHMXZICIRYHMV-AEJSXWLSSA-N 1 0 278.312 -1.298 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC001313438614 884150497 /nfs/dbraw/zinc/15/04/97/884150497.db2.gz ALXANYLAPLFXIJ-UHFFFAOYSA-N 1 0 288.373 -1.506 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1COC(=O)N1 ZINC001316822260 884152205 /nfs/dbraw/zinc/15/22/05/884152205.db2.gz YIAWOUYEGXZBBJ-SNVBAGLBSA-N 1 0 296.327 -1.718 20 30 CAEDRO Cn1cnc(C(=O)NCCC[N@H+](C)CC(=O)NCC#N)n1 ZINC001316822029 884152315 /nfs/dbraw/zinc/15/23/15/884152315.db2.gz GSZFZPBIFFHDCR-UHFFFAOYSA-N 1 0 293.331 -1.493 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001316822259 884153050 /nfs/dbraw/zinc/15/30/50/884153050.db2.gz YIAWOUYEGXZBBJ-JTQLQIEISA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC(N)=O)n1 ZINC001316717047 884153272 /nfs/dbraw/zinc/15/32/72/884153272.db2.gz XUDPMUWKQCZWPS-UHFFFAOYSA-N 1 0 291.311 -1.213 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H](C)NC(N)=O ZINC001316818023 884154881 /nfs/dbraw/zinc/15/48/81/884154881.db2.gz CYOHOIMONFDXJR-JTQLQIEISA-N 1 0 297.359 -1.769 20 30 CAEDRO C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001316967231 884162834 /nfs/dbraw/zinc/16/28/34/884162834.db2.gz WRTPFPNBWIPFLP-LBPRGKRZSA-N 1 0 295.387 -1.022 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001316982090 884163751 /nfs/dbraw/zinc/16/37/51/884163751.db2.gz WJPBTMQGHMUGKI-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001317038975 884167172 /nfs/dbraw/zinc/16/71/72/884167172.db2.gz NCASKWSDGRRVNX-NSHDSACASA-N 1 0 296.371 -1.056 20 30 CAEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001317061626 884168485 /nfs/dbraw/zinc/16/84/85/884168485.db2.gz WPJODSHWKLXWMU-JTQLQIEISA-N 1 0 290.389 -1.193 20 30 CAEDRO CCNC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317075030 884170930 /nfs/dbraw/zinc/17/09/30/884170930.db2.gz PWGQMJDWMBWWKS-MGCOHNPYSA-N 1 0 295.343 -1.611 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CNC(C)=O)C1 ZINC001317104037 884172243 /nfs/dbraw/zinc/17/22/43/884172243.db2.gz KJMGYUDRYYLICI-JLLWLGSASA-N 1 0 294.355 -1.503 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001317105873 884172796 /nfs/dbraw/zinc/17/27/96/884172796.db2.gz XQQHMEKDXMBAMC-DTORHVGOSA-N 1 0 266.301 -2.152 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001317087193 884172844 /nfs/dbraw/zinc/17/28/44/884172844.db2.gz LNNASSZYXIWUQL-DBIOUOCHSA-N 1 0 292.339 -1.906 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001317111215 884174837 /nfs/dbraw/zinc/17/48/37/884174837.db2.gz WATYTFNODDRAPT-KXUCPTDWSA-N 1 0 296.327 -1.366 20 30 CAEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001317136742 884175399 /nfs/dbraw/zinc/17/53/99/884175399.db2.gz FMUVYGGHCBEUGB-CYBMUJFWSA-N 1 0 292.383 -1.120 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001317111214 884175521 /nfs/dbraw/zinc/17/55/21/884175521.db2.gz WATYTFNODDRAPT-AEJSXWLSSA-N 1 0 296.327 -1.366 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001317111750 884176067 /nfs/dbraw/zinc/17/60/67/884176067.db2.gz OIKARWZWVNZBND-AOOOYVTPSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001317136743 884176116 /nfs/dbraw/zinc/17/61/16/884176116.db2.gz FMUVYGGHCBEUGB-ZDUSSCGKSA-N 1 0 292.383 -1.120 20 30 CAEDRO C[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001317232232 884177757 /nfs/dbraw/zinc/17/77/57/884177757.db2.gz CLJFGMARIFVGDC-VHSXEESVSA-N 1 0 293.331 -1.427 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001317220236 884177820 /nfs/dbraw/zinc/17/78/20/884177820.db2.gz NGUJVMIWZIATNH-WHXUTIOJSA-N 1 0 294.355 -1.373 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CNC(=O)OC ZINC001317227827 884177969 /nfs/dbraw/zinc/17/79/69/884177969.db2.gz UBXOCZURGLSXLM-ZJUUUORDSA-N 1 0 298.343 -1.425 20 30 CAEDRO CCNC(=O)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317231982 884178458 /nfs/dbraw/zinc/17/84/58/884178458.db2.gz AQWGXYYMVVNRAC-SECBINFHSA-N 1 0 283.332 -1.753 20 30 CAEDRO C[C@@H](CNC(=O)c1cnn(C)c1N)[NH2+]CC(=O)NCC#N ZINC001317235138 884178533 /nfs/dbraw/zinc/17/85/33/884178533.db2.gz PWTSXZBDVHZELT-QMMMGPOBSA-N 1 0 293.331 -1.650 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317230770 884178582 /nfs/dbraw/zinc/17/85/82/884178582.db2.gz WTBZWNJRVLNWBN-RKDXNWHRSA-N 1 0 281.316 -1.208 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnn(C)c1N ZINC001317235004 884178653 /nfs/dbraw/zinc/17/86/53/884178653.db2.gz ORAHNTNKSSQOLE-VIFPVBQESA-N 1 0 292.343 -1.540 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001317241646 884178799 /nfs/dbraw/zinc/17/87/99/884178799.db2.gz MPCRGJAOQWNXMU-VHSXEESVSA-N 1 0 298.343 -1.425 20 30 CAEDRO C[C@@H](CNC(=O)[C@H](C)n1cncn1)[NH2+]CC(=O)NCC#N ZINC001317232228 884179687 /nfs/dbraw/zinc/17/96/87/884179687.db2.gz CLJFGMARIFVGDC-UWVGGRQHSA-N 1 0 293.331 -1.427 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001317226143 884179723 /nfs/dbraw/zinc/17/97/23/884179723.db2.gz CDOYLINYJVPAAQ-WDEREUQCSA-N 1 0 285.344 -1.202 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1nnn(C)n1 ZINC001317262316 884180768 /nfs/dbraw/zinc/18/07/68/884180768.db2.gz WVCVFEMOWISLPB-BDAKNGLRSA-N 1 0 295.347 -1.391 20 30 CAEDRO C[C@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]CC(=O)NCC#N ZINC001317246090 884182890 /nfs/dbraw/zinc/18/28/90/884182890.db2.gz LMSWNISOFXOEHO-ZJUUUORDSA-N 1 0 295.343 -1.753 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317306399 884188101 /nfs/dbraw/zinc/18/81/01/884188101.db2.gz XXLWLXOEQTYWTA-ZETCQYMHSA-N 1 0 253.262 -2.698 20 30 CAEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001317309673 884188154 /nfs/dbraw/zinc/18/81/54/884188154.db2.gz WTHFGRAXRPZHFK-QWRGUYRKSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001317307715 884188590 /nfs/dbraw/zinc/18/85/90/884188590.db2.gz NUVCHDMUACFXNC-JTQLQIEISA-N 1 0 290.327 -1.713 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317312603 884188961 /nfs/dbraw/zinc/18/89/61/884188961.db2.gz JCVFQUCAARSMOS-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001317297150 884189165 /nfs/dbraw/zinc/18/91/65/884189165.db2.gz QBDNHMLYVUEFIA-YUMQZZPRSA-N 1 0 267.289 -1.469 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317312599 884189643 /nfs/dbraw/zinc/18/96/43/884189643.db2.gz JCVFQUCAARSMOS-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001317300250 884189916 /nfs/dbraw/zinc/18/99/16/884189916.db2.gz KEYOYMMDLLTFPN-NSHDSACASA-N 1 0 289.339 -1.026 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001317403338 884192291 /nfs/dbraw/zinc/19/22/91/884192291.db2.gz WOEUANZUOZHAFV-QWRGUYRKSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1[nH]nnc1C ZINC001317400887 884192494 /nfs/dbraw/zinc/19/24/94/884192494.db2.gz MJQJNVULFAUOBS-SECBINFHSA-N 1 0 292.343 -1.039 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1cncn1 ZINC001317413382 884192567 /nfs/dbraw/zinc/19/25/67/884192567.db2.gz AMVUAJCUBYCQLN-LLVKDONJSA-N 1 0 292.343 -1.488 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCNC1=O ZINC001317403336 884192644 /nfs/dbraw/zinc/19/26/44/884192644.db2.gz WOEUANZUOZHAFV-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001317403774 884192607 /nfs/dbraw/zinc/19/26/07/884192607.db2.gz FFROFUHKENJHSE-UWVGGRQHSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001317355766 884192613 /nfs/dbraw/zinc/19/26/13/884192613.db2.gz MEUBBMJGIDYIBT-ZJUUUORDSA-N 1 0 280.328 -1.762 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001317467553 884199171 /nfs/dbraw/zinc/19/91/71/884199171.db2.gz VMRCNSYISXGABM-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001317502699 884206956 /nfs/dbraw/zinc/20/69/56/884206956.db2.gz VAGFXHHXPNXWAF-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO CC#CC[N@H+](CC)CCNC(=O)CS(=O)(=O)NC ZINC001317490213 884207319 /nfs/dbraw/zinc/20/73/19/884207319.db2.gz OHWRQPSUNJXGEP-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001317502698 884207364 /nfs/dbraw/zinc/20/73/64/884207364.db2.gz VAGFXHHXPNXWAF-JTQLQIEISA-N 1 0 290.389 -1.193 20 30 CAEDRO CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001317483200 884208393 /nfs/dbraw/zinc/20/83/93/884208393.db2.gz BSKSEWJDXOFDPQ-LLVKDONJSA-N 1 0 282.344 -1.244 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001317508407 884209121 /nfs/dbraw/zinc/20/91/21/884209121.db2.gz NFMKGMHBCJGTBG-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CCN1CC[C@@H](N2CCC[C@@H]2CNC(=O)C(N)=O)C1=O ZINC001317506561 884209357 /nfs/dbraw/zinc/20/93/57/884209357.db2.gz BYNNHJHRUACWLM-GHMZBOCLSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc[nH]n1 ZINC001317569561 884215271 /nfs/dbraw/zinc/21/52/71/884215271.db2.gz LLBPCGIJMPRXHA-UHFFFAOYSA-N 1 0 263.301 -1.179 20 30 CAEDRO COC[C@H](C)C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317574574 884220396 /nfs/dbraw/zinc/22/03/96/884220396.db2.gz UAUNUNOCXJDBEB-JTQLQIEISA-N 1 0 270.333 -1.043 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCNC(=O)C1 ZINC001317575281 884221636 /nfs/dbraw/zinc/22/16/36/884221636.db2.gz IDBSSADZXNYGLC-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO C[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001317578634 884223446 /nfs/dbraw/zinc/22/34/46/884223446.db2.gz BNIBEVSOTGCDQD-SNVBAGLBSA-N 1 0 293.331 -1.473 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cnc[nH]c1=O ZINC001317601353 884224699 /nfs/dbraw/zinc/22/46/99/884224699.db2.gz RRCVRJHFOPNYEC-UHFFFAOYSA-N 1 0 291.311 -1.407 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001317617769 884225022 /nfs/dbraw/zinc/22/50/22/884225022.db2.gz BPEJJGLCABARHB-QWRGUYRKSA-N 1 0 294.355 -1.705 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001317619064 884225510 /nfs/dbraw/zinc/22/55/10/884225510.db2.gz RKBLTFZASZVOFZ-UWVGGRQHSA-N 1 0 295.343 -1.814 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001317617770 884226190 /nfs/dbraw/zinc/22/61/90/884226190.db2.gz BPEJJGLCABARHB-WDEREUQCSA-N 1 0 294.355 -1.705 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCNC1=O ZINC001317617703 884226255 /nfs/dbraw/zinc/22/62/55/884226255.db2.gz AGOKMFRURWKCKI-NSHDSACASA-N 1 0 267.329 -1.180 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001317634061 884231583 /nfs/dbraw/zinc/23/15/83/884231583.db2.gz NWGHJWZUALYZNJ-SECBINFHSA-N 1 0 283.332 -1.982 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CNC(=O)N1 ZINC001317635204 884233832 /nfs/dbraw/zinc/23/38/32/884233832.db2.gz YKPWWYHFBYSBSW-QMMMGPOBSA-N 1 0 282.304 -2.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001317634064 884234054 /nfs/dbraw/zinc/23/40/54/884234054.db2.gz NWGHJWZUALYZNJ-VIFPVBQESA-N 1 0 283.332 -1.982 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001317662974 884235828 /nfs/dbraw/zinc/23/58/28/884235828.db2.gz BDRFWWHLQDYQQH-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001317663196 884238692 /nfs/dbraw/zinc/23/86/92/884238692.db2.gz HOPXIKKJSGOKQQ-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001317671467 884238795 /nfs/dbraw/zinc/23/87/95/884238795.db2.gz INIIWLWEOHDLLX-NSHDSACASA-N 1 0 295.339 -1.263 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CNC(=O)NC)C1 ZINC001318127623 884257199 /nfs/dbraw/zinc/25/71/99/884257199.db2.gz VORGXDKWSPHFQZ-UHFFFAOYSA-N 1 0 252.318 -1.013 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001318358532 884272896 /nfs/dbraw/zinc/27/28/96/884272896.db2.gz YLICCYGKVIOGTN-NEPJUHHUSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001318414145 884274577 /nfs/dbraw/zinc/27/45/77/884274577.db2.gz RVGRZBMNKRYJDD-LBPRGKRZSA-N 1 0 294.355 -1.595 20 30 CAEDRO CN(CC(=O)NC1(C#N)CC[NH+](C)CC1)S(C)(=O)=O ZINC001318383446 884275069 /nfs/dbraw/zinc/27/50/69/884275069.db2.gz PUKKFUOCOUKIDL-UHFFFAOYSA-N 1 0 288.373 -1.018 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1ncn(C)n1 ZINC001318517095 884281629 /nfs/dbraw/zinc/28/16/29/884281629.db2.gz AABOELQMRPVCGZ-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001318566270 884284291 /nfs/dbraw/zinc/28/42/91/884284291.db2.gz AYOISGDPKMAKKS-ZJUUUORDSA-N 1 0 295.343 -2.098 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cn(C)nn1 ZINC001318517160 884284324 /nfs/dbraw/zinc/28/43/24/884284324.db2.gz BPTSMSCBVPMJDT-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cn(C)nn1 ZINC001318517161 884286484 /nfs/dbraw/zinc/28/64/84/884286484.db2.gz BPTSMSCBVPMJDT-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CC[NH2+][C@@H](CC)CNC(=O)CNS(=O)(=O)N(C)C ZINC001318582422 884288181 /nfs/dbraw/zinc/28/81/81/884288181.db2.gz QAZJARSLUAIDJR-JTQLQIEISA-N 1 0 290.389 -1.500 20 30 CAEDRO C#CCC[NH2+][C@@H](CC)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001318603711 884288818 /nfs/dbraw/zinc/28/88/18/884288818.db2.gz AUMNZPXXMIYNPR-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CC[NH2+][C@@H](CC)CNC(=O)CN1C(=O)CNC1=O ZINC001318603860 884289511 /nfs/dbraw/zinc/28/95/11/884289511.db2.gz YNJSFFMZZCGCGM-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)C(N)=O)CCCC1 ZINC001318654677 884290863 /nfs/dbraw/zinc/29/08/63/884290863.db2.gz XUURBWMUPRKZJW-SNVBAGLBSA-N 1 0 294.355 -1.372 20 30 CAEDRO C[C@H](CNC(=O)Cn1cccn1)C[NH2+]CC(=O)NCC#N ZINC001319158908 884311630 /nfs/dbraw/zinc/31/16/30/884311630.db2.gz WHIPEDIVKRKTFO-NSHDSACASA-N 1 0 292.343 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001319182562 884314823 /nfs/dbraw/zinc/31/48/23/884314823.db2.gz VBNYEYSZRPQWFR-SNVBAGLBSA-N 1 0 292.343 -1.480 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001319270437 884317369 /nfs/dbraw/zinc/31/73/69/884317369.db2.gz PRBCSSANYRSXEB-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001319285836 884319533 /nfs/dbraw/zinc/31/95/33/884319533.db2.gz ROYWQPPGXYHZDI-SNVBAGLBSA-N 1 0 292.343 -1.258 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001319277783 884320280 /nfs/dbraw/zinc/32/02/80/884320280.db2.gz XEEUTQLJWDMAFS-JTQLQIEISA-N 1 0 280.328 -1.097 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001319457905 884331693 /nfs/dbraw/zinc/33/16/93/884331693.db2.gz QOIZUJYNBRDYHJ-UHFFFAOYSA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)=O ZINC001319425707 884327254 /nfs/dbraw/zinc/32/72/54/884327254.db2.gz VGFDTFVAVJUGEP-LLVKDONJSA-N 1 0 296.371 -1.349 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001319453061 884329828 /nfs/dbraw/zinc/32/98/28/884329828.db2.gz DUHGEAKCSXQCEK-NXEZZACHSA-N 1 0 255.318 -1.054 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001319452874 884330499 /nfs/dbraw/zinc/33/04/99/884330499.db2.gz NKJWBQLNQYGOAJ-SNVBAGLBSA-N 1 0 292.343 -1.385 20 30 CAEDRO CNC(=O)NCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319467771 884330932 /nfs/dbraw/zinc/33/09/32/884330932.db2.gz VYQNALVCPLVUPH-SECBINFHSA-N 1 0 298.347 -2.008 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001319453065 884331264 /nfs/dbraw/zinc/33/12/64/884331264.db2.gz DUHGEAKCSXQCEK-UWVGGRQHSA-N 1 0 255.318 -1.054 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001319466849 884331319 /nfs/dbraw/zinc/33/13/19/884331319.db2.gz PONVQEUAUSMHRQ-SNVBAGLBSA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001319452873 884332350 /nfs/dbraw/zinc/33/23/50/884332350.db2.gz NKJWBQLNQYGOAJ-JTQLQIEISA-N 1 0 292.343 -1.385 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001319462488 884332484 /nfs/dbraw/zinc/33/24/84/884332484.db2.gz XFZUOHDDWFJTRW-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001319466848 884332800 /nfs/dbraw/zinc/33/28/00/884332800.db2.gz PONVQEUAUSMHRQ-JTQLQIEISA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001319523841 884333598 /nfs/dbraw/zinc/33/35/98/884333598.db2.gz CDMIORKDDRCHFO-BDAKNGLRSA-N 1 0 268.317 -1.954 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001319539087 884337652 /nfs/dbraw/zinc/33/76/52/884337652.db2.gz DUCIZOQUMSZAES-SECBINFHSA-N 1 0 294.311 -1.523 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001319541171 884337743 /nfs/dbraw/zinc/33/77/43/884337743.db2.gz RSRMLAKPWVEZPO-BDAKNGLRSA-N 1 0 266.301 -1.346 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)C(N)=O ZINC001319633466 884345170 /nfs/dbraw/zinc/34/51/70/884345170.db2.gz HZONJSAATUQEDR-SNVBAGLBSA-N 1 0 284.360 -1.106 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](COC)C(N)=O)CC1 ZINC001319638207 884346129 /nfs/dbraw/zinc/34/61/29/884346129.db2.gz RLBFMRQCIFOYDU-LLVKDONJSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)CC(N)=O)C(C)C ZINC001319906369 884360977 /nfs/dbraw/zinc/36/09/77/884360977.db2.gz OAWBQAGNVZDMPU-SNVBAGLBSA-N 1 0 282.344 -1.658 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CNC(=O)C(N)=O)C(C)C)C1=O ZINC001319943674 884362531 /nfs/dbraw/zinc/36/25/31/884362531.db2.gz KSSZSMMSDRGKCC-MNOVXSKESA-N 1 0 296.371 -1.011 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CNC(=O)C(N)=O)C(C)C)C1=O ZINC001319943676 884364553 /nfs/dbraw/zinc/36/45/53/884364553.db2.gz KSSZSMMSDRGKCC-QWRGUYRKSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001320079262 884376110 /nfs/dbraw/zinc/37/61/10/884376110.db2.gz RIUOSDDTJQGZQZ-UHFFFAOYSA-N 1 0 275.374 -1.099 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001320184016 884378032 /nfs/dbraw/zinc/37/80/32/884378032.db2.gz DALQXTCQGODNOB-NSHDSACASA-N 1 0 295.343 -1.597 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001320184864 884379330 /nfs/dbraw/zinc/37/93/30/884379330.db2.gz GSDUISWBJCVWBD-SECBINFHSA-N 1 0 264.285 -1.114 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccnc1 ZINC001320187512 884380996 /nfs/dbraw/zinc/38/09/96/884380996.db2.gz LAOIJURXFJWPLN-LLVKDONJSA-N 1 0 291.311 -1.598 20 30 CAEDRO CC(F)(F)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320190597 884381616 /nfs/dbraw/zinc/38/16/16/884381616.db2.gz ZDUJMLCQJIKSNT-ZETCQYMHSA-N 1 0 278.259 -1.652 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(C)=O)C1=O ZINC001320188112 884381284 /nfs/dbraw/zinc/38/12/84/884381284.db2.gz MQTFHAXBKDXXIX-WDEREUQCSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001320188328 884382848 /nfs/dbraw/zinc/38/28/48/884382848.db2.gz RITXMCRLSMNBKQ-SNVBAGLBSA-N 1 0 297.311 -2.309 20 30 CAEDRO C=C(Br)C[NH2+]C[C@H](O)CNC(=O)CC(N)=O ZINC001320201833 884383673 /nfs/dbraw/zinc/38/36/73/884383673.db2.gz MMIWWKLENLQSOR-ZETCQYMHSA-N 1 0 294.149 -1.163 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001320202953 884384072 /nfs/dbraw/zinc/38/40/72/884384072.db2.gz LJGONHRRVLBUKH-GHMZBOCLSA-N 1 0 283.328 -2.161 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001320201686 884384432 /nfs/dbraw/zinc/38/44/32/884384432.db2.gz ITJIQUDFVBZMPB-VHSXEESVSA-N 1 0 284.316 -2.271 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC=CC1 ZINC001320202677 884386700 /nfs/dbraw/zinc/38/67/00/884386700.db2.gz QBUGBHGEHVEJGR-LBPRGKRZSA-N 1 0 279.340 -1.231 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cocn1 ZINC001320206016 884388792 /nfs/dbraw/zinc/38/87/92/884388792.db2.gz XAPZBHMFRZJSHP-SECBINFHSA-N 1 0 282.300 -1.343 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001320216710 884388703 /nfs/dbraw/zinc/38/87/03/884388703.db2.gz YMNFOXBURXEDQM-UWVGGRQHSA-N 1 0 255.318 -1.270 20 30 CAEDRO CC(C)(O)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320213180 884388992 /nfs/dbraw/zinc/38/89/92/884388992.db2.gz FIOVETOORYOFKF-VIFPVBQESA-N 1 0 286.332 -2.146 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001320217078 884389155 /nfs/dbraw/zinc/38/91/55/884389155.db2.gz MWDSMPFAVSAUDI-STQMWFEESA-N 1 0 282.340 -1.259 20 30 CAEDRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)co1 ZINC001320214509 884389234 /nfs/dbraw/zinc/38/92/34/884389234.db2.gz NRUSQBPPUNAEJJ-NSHDSACASA-N 1 0 294.311 -1.092 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001320204610 884390135 /nfs/dbraw/zinc/39/01/35/884390135.db2.gz ZFQSWAJJYMTIKM-BDAKNGLRSA-N 1 0 292.361 -2.238 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001320216459 884390947 /nfs/dbraw/zinc/39/09/47/884390947.db2.gz KLKAVZZMWUZEST-LBPRGKRZSA-N 1 0 294.355 -1.508 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001320216774 884392618 /nfs/dbraw/zinc/39/26/18/884392618.db2.gz YMNFOXBURXEDQM-ZJUUUORDSA-N 1 0 255.318 -1.270 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)NC ZINC001320226694 884394655 /nfs/dbraw/zinc/39/46/55/884394655.db2.gz FRPMRDSMCWJFAH-VIFPVBQESA-N 1 0 256.306 -1.995 20 30 CAEDRO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC001320218581 884395813 /nfs/dbraw/zinc/39/58/13/884395813.db2.gz WMZBQVUURSWQOS-SECBINFHSA-N 1 0 294.315 -2.260 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001320219415 884395990 /nfs/dbraw/zinc/39/59/90/884395990.db2.gz XWEWEEDWJFUPML-NWDGAFQWSA-N 1 0 270.329 -1.526 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)NC ZINC001320226693 884396977 /nfs/dbraw/zinc/39/69/77/884396977.db2.gz FRPMRDSMCWJFAH-SECBINFHSA-N 1 0 256.306 -1.995 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN(C)C(=O)C1CC1 ZINC001320226666 884396656 /nfs/dbraw/zinc/39/66/56/884396656.db2.gz DVVUUMPWCNJWGU-NSHDSACASA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001320218022 884396724 /nfs/dbraw/zinc/39/67/24/884396724.db2.gz QSUOJVHEVMNUGX-LLVKDONJSA-N 1 0 250.302 -1.338 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001320218001 884397016 /nfs/dbraw/zinc/39/70/16/884397016.db2.gz QPPCTEOIZJXGHH-SECBINFHSA-N 1 0 279.300 -2.161 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001320226242 884397348 /nfs/dbraw/zinc/39/73/48/884397348.db2.gz BQOZRXSZYNSUBN-VHSXEESVSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001320235092 884399262 /nfs/dbraw/zinc/39/92/62/884399262.db2.gz MZJWXTOIQVKCAF-YUMQZZPRSA-N 1 0 268.273 -2.716 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001320236362 884399527 /nfs/dbraw/zinc/39/95/27/884399527.db2.gz XREGYLGALDDGGX-WDEREUQCSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001320236359 884399120 /nfs/dbraw/zinc/39/91/20/884399120.db2.gz XREGYLGALDDGGX-GHMZBOCLSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001320242027 884400193 /nfs/dbraw/zinc/40/01/93/884400193.db2.gz KCDPVFOUBQSLTJ-VHSXEESVSA-N 1 0 255.318 -1.235 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001320235791 884400253 /nfs/dbraw/zinc/40/02/53/884400253.db2.gz REQSUMMSMWPWFS-JTQLQIEISA-N 1 0 278.312 -1.021 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001320242026 884400338 /nfs/dbraw/zinc/40/03/38/884400338.db2.gz KCDPVFOUBQSLTJ-UWVGGRQHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](F)CC ZINC001320257146 884401551 /nfs/dbraw/zinc/40/15/51/884401551.db2.gz KUSPUJYDVYVDLQ-UWVGGRQHSA-N 1 0 273.308 -1.449 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001320255963 884401779 /nfs/dbraw/zinc/40/17/79/884401779.db2.gz CBDBLQVJEGTWHJ-QWRGUYRKSA-N 1 0 283.328 -2.161 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001320260227 884402138 /nfs/dbraw/zinc/40/21/38/884402138.db2.gz TXGROEGPNPHTBN-WDEREUQCSA-N 1 0 285.344 -1.786 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001320245074 884402314 /nfs/dbraw/zinc/40/23/14/884402314.db2.gz LBHJYXUCLAJXLG-WDEREUQCSA-N 1 0 267.329 -1.255 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001320245073 884403518 /nfs/dbraw/zinc/40/35/18/884403518.db2.gz LBHJYXUCLAJXLG-QWRGUYRKSA-N 1 0 267.329 -1.255 20 30 CAEDRO C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001320256636 884403535 /nfs/dbraw/zinc/40/35/35/884403535.db2.gz IHGIELKETFEDRF-GUBZILKMSA-N 1 0 268.317 -1.651 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001320245055 884403557 /nfs/dbraw/zinc/40/35/57/884403557.db2.gz KQFHRSSOOMMGKD-JTQLQIEISA-N 1 0 281.312 -1.775 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](F)CC ZINC001320257145 884403644 /nfs/dbraw/zinc/40/36/44/884403644.db2.gz KUSPUJYDVYVDLQ-NXEZZACHSA-N 1 0 273.308 -1.449 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001320259195 884403660 /nfs/dbraw/zinc/40/36/60/884403660.db2.gz QAWRFSQNZIBFBP-MRVPVSSYSA-N 1 0 254.290 -1.008 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)c1 ZINC001320271146 884404633 /nfs/dbraw/zinc/40/46/33/884404633.db2.gz BOCRQQFADCGAND-NSHDSACASA-N 1 0 276.296 -1.772 20 30 CAEDRO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCC#N)CC1 ZINC001320270669 884405513 /nfs/dbraw/zinc/40/55/13/884405513.db2.gz NLFRNDSKBLQPIP-NSHDSACASA-N 1 0 254.334 -1.082 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1coc(C(N)=O)c1 ZINC001320262621 884406300 /nfs/dbraw/zinc/40/63/00/884406300.db2.gz XYHKLCGYBKTCJS-SECBINFHSA-N 1 0 265.269 -1.308 20 30 CAEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001320279566 884408511 /nfs/dbraw/zinc/40/85/11/884408511.db2.gz DTIIYIDRBZLCPY-ZJUUUORDSA-N 1 0 298.343 -1.383 20 30 CAEDRO N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(N)=O)s1 ZINC001320272154 884408840 /nfs/dbraw/zinc/40/88/40/884408840.db2.gz VLVCNIZWHYQWDZ-ZETCQYMHSA-N 1 0 282.325 -1.328 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCN1CCOCC1 ZINC001320287218 884410254 /nfs/dbraw/zinc/41/02/54/884410254.db2.gz WWWYGBUSKFGOGY-GFCCVEGCSA-N 1 0 271.361 -1.039 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cccnn1 ZINC001320293792 884410309 /nfs/dbraw/zinc/41/03/09/884410309.db2.gz ZPHWCTNNBKXRBK-NSHDSACASA-N 1 0 278.312 -1.193 20 30 CAEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC#N)C1 ZINC001320296507 884410397 /nfs/dbraw/zinc/41/03/97/884410397.db2.gz RSTXPMYQWJVSPF-GHMZBOCLSA-N 1 0 254.334 -1.082 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cccnn1 ZINC001320293791 884410751 /nfs/dbraw/zinc/41/07/51/884410751.db2.gz ZPHWCTNNBKXRBK-LLVKDONJSA-N 1 0 278.312 -1.193 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCCS(C)(=O)=O ZINC001320286604 884411306 /nfs/dbraw/zinc/41/13/06/884411306.db2.gz MIYBFXSAXATCTD-LLVKDONJSA-N 1 0 290.385 -1.099 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001320295731 884410877 /nfs/dbraw/zinc/41/08/77/884410877.db2.gz MQHRWGIXFRWVPP-JTQLQIEISA-N 1 0 298.343 -1.477 20 30 CAEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC#N)C1 ZINC001320296509 884411226 /nfs/dbraw/zinc/41/12/26/884411226.db2.gz RSTXPMYQWJVSPF-QWRGUYRKSA-N 1 0 254.334 -1.082 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001320302514 884412314 /nfs/dbraw/zinc/41/23/14/884412314.db2.gz HSMNWQJVPFKZLT-GFCCVEGCSA-N 1 0 277.324 -1.062 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001320296635 884411921 /nfs/dbraw/zinc/41/19/21/884411921.db2.gz UMHVCMCHGMDNNL-VIFPVBQESA-N 1 0 253.306 -1.010 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cccc(C(N)=O)n1 ZINC001320318823 884413953 /nfs/dbraw/zinc/41/39/53/884413953.db2.gz ZFZPSAJWYVSFPQ-SNVBAGLBSA-N 1 0 290.323 -1.116 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001320312962 884414104 /nfs/dbraw/zinc/41/41/04/884414104.db2.gz IYPLRLXXLSNVNX-DTWKUNHWSA-N 1 0 275.330 -2.622 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001320304136 884414337 /nfs/dbraw/zinc/41/43/37/884414337.db2.gz PRNAJMVCPABIMI-BDAKNGLRSA-N 1 0 284.316 -1.773 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001320304569 884414782 /nfs/dbraw/zinc/41/47/82/884414782.db2.gz QWHHRXCCBXZBTD-NSHDSACASA-N 1 0 263.297 -1.452 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001320316300 884414931 /nfs/dbraw/zinc/41/49/31/884414931.db2.gz MQNHGWDJOOGZMW-VXGBXAGGSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001320315964 884415228 /nfs/dbraw/zinc/41/52/28/884415228.db2.gz KUOMWAWXSFMVSU-QWRGUYRKSA-N 1 0 282.344 -1.381 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001320315663 884415486 /nfs/dbraw/zinc/41/54/86/884415486.db2.gz URTNBHVZIHYVLL-SNVBAGLBSA-N 1 0 278.312 -1.183 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001320315125 884415308 /nfs/dbraw/zinc/41/53/08/884415308.db2.gz HHZSIBOTUPFILF-QWRGUYRKSA-N 1 0 282.344 -1.381 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]n1 ZINC001320474782 884423942 /nfs/dbraw/zinc/42/39/42/884423942.db2.gz ABXMBDNWVCAOBX-MRVPVSSYSA-N 1 0 279.304 -1.458 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1[nH]nnc1C ZINC001320515140 884425538 /nfs/dbraw/zinc/42/55/38/884425538.db2.gz CBYFKCKZXZBEEQ-VIFPVBQESA-N 1 0 292.343 -1.039 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CNC(=O)N1 ZINC001320529099 884428783 /nfs/dbraw/zinc/42/87/83/884428783.db2.gz JJWCMDXLCXOVEU-IUCAKERBSA-N 1 0 296.331 -2.208 20 30 CAEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001320529945 884429499 /nfs/dbraw/zinc/42/94/99/884429499.db2.gz ORCZDYGEOQCFKC-QWRGUYRKSA-N 1 0 282.344 -1.198 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CNC(=O)N1 ZINC001320529094 884430281 /nfs/dbraw/zinc/43/02/81/884430281.db2.gz JJWCMDXLCXOVEU-BDAKNGLRSA-N 1 0 296.331 -2.208 20 30 CAEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001320529947 884430344 /nfs/dbraw/zinc/43/03/44/884430344.db2.gz ORCZDYGEOQCFKC-WDEREUQCSA-N 1 0 282.344 -1.198 20 30 CAEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001320529941 884430522 /nfs/dbraw/zinc/43/05/22/884430522.db2.gz ORCZDYGEOQCFKC-GHMZBOCLSA-N 1 0 282.344 -1.198 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CNS(=O)(=O)NC ZINC001320801302 884448059 /nfs/dbraw/zinc/44/80/59/884448059.db2.gz GYSLBCQXRFWBLU-UHFFFAOYSA-N 1 0 276.362 -1.889 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1nnc[nH]1 ZINC001320888976 884455178 /nfs/dbraw/zinc/45/51/78/884455178.db2.gz NWMJPQVYSKZVCZ-UHFFFAOYSA-N 1 0 293.331 -1.575 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CCS(=O)(=O)NC ZINC001321056645 884464383 /nfs/dbraw/zinc/46/43/83/884464383.db2.gz IKCQKSDNVITHFV-PLNGDYQASA-N 1 0 273.358 -1.179 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnnn1C ZINC001321044757 884465878 /nfs/dbraw/zinc/46/58/78/884465878.db2.gz LREBIWQQTAEXIJ-PLNGDYQASA-N 1 0 290.327 -1.560 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1COC(=O)N1 ZINC001321045223 884466086 /nfs/dbraw/zinc/46/60/86/884466086.db2.gz PWXIGPBLFORCGW-UMBAGQNISA-N 1 0 294.311 -1.894 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CNC(=O)NC ZINC001321085229 884469311 /nfs/dbraw/zinc/46/93/11/884469311.db2.gz UISWTWWTNQUIGV-SNAWJCMRSA-N 1 0 295.343 -2.073 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001321248320 884480325 /nfs/dbraw/zinc/48/03/25/884480325.db2.gz AYVGGSCKXQTNBZ-MJKAUQOVSA-N 1 0 265.313 -1.086 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cc[n+]([O-])cc1 ZINC001321455191 884492514 /nfs/dbraw/zinc/49/25/14/884492514.db2.gz LCTQCCDZSRAUCP-SNVBAGLBSA-N 1 0 291.311 -1.332 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001321392077 884494239 /nfs/dbraw/zinc/49/42/39/884494239.db2.gz KSBGUMANMUSUJD-PLNGDYQASA-N 1 0 276.296 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1ccnc1 ZINC001321431577 884494378 /nfs/dbraw/zinc/49/43/78/884494378.db2.gz GXGDXFKRGIQQOQ-ARJAWSKDSA-N 1 0 289.339 -1.106 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001321468379 884495469 /nfs/dbraw/zinc/49/54/69/884495469.db2.gz MKIBJWKRJGSONC-GMTAPVOTSA-N 1 0 294.355 -1.503 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@@H]1COC(=O)C1 ZINC001321489687 884495955 /nfs/dbraw/zinc/49/59/55/884495955.db2.gz VODOWSRZHDIDEX-ZJUUUORDSA-N 1 0 296.327 -1.326 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)[nH]n1 ZINC001321455703 884496299 /nfs/dbraw/zinc/49/62/99/884496299.db2.gz UAYGPCSIANQQIL-MRVPVSSYSA-N 1 0 292.299 -1.470 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001321455549 884496788 /nfs/dbraw/zinc/49/67/88/884496788.db2.gz RZROVYXVKQVGEB-ZJUUUORDSA-N 1 0 293.331 -2.095 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1COC(=O)C1 ZINC001321488495 884497062 /nfs/dbraw/zinc/49/70/62/884497062.db2.gz LGKCLTWGROOSQM-GHMZBOCLSA-N 1 0 295.339 -1.217 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@H]1COC(=O)C1 ZINC001321489683 884497278 /nfs/dbraw/zinc/49/72/78/884497278.db2.gz VODOWSRZHDIDEX-NXEZZACHSA-N 1 0 296.327 -1.326 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001321514123 884499783 /nfs/dbraw/zinc/49/97/83/884499783.db2.gz MGXVRRDXCFPAJL-NXEZZACHSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001321532436 884501361 /nfs/dbraw/zinc/50/13/61/884501361.db2.gz GVLTVQOGDFYZHT-GHMZBOCLSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001321568165 884503806 /nfs/dbraw/zinc/50/38/06/884503806.db2.gz SJLXLIJTXBSYRG-MRVPVSSYSA-N 1 0 264.289 -1.738 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001321600640 884504247 /nfs/dbraw/zinc/50/42/47/884504247.db2.gz YZUQNSMWIJIVDU-MRVPVSSYSA-N 1 0 262.335 -2.232 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001321637368 884505854 /nfs/dbraw/zinc/50/58/54/884505854.db2.gz NUPKQPVZVZUSTE-YGRLFVJLSA-N 1 0 294.355 -1.501 20 30 CAEDRO CN1CC(=O)N(CC(=O)NC2(C#N)CC[NH+](C)CC2)C1=O ZINC001321666429 884509204 /nfs/dbraw/zinc/50/92/04/884509204.db2.gz ZCROIODNNZFPQW-UHFFFAOYSA-N 1 0 293.327 -1.015 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001321739066 884513221 /nfs/dbraw/zinc/51/32/21/884513221.db2.gz AXOVGARGMCNBKG-SNVBAGLBSA-N 1 0 277.328 -1.123 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CN1CCCC1=O ZINC001321778849 884515515 /nfs/dbraw/zinc/51/55/15/884515515.db2.gz LHMDRLMODJKNRB-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001321746123 884515635 /nfs/dbraw/zinc/51/56/35/884515635.db2.gz GRNPURODEYPWNP-BDAKNGLRSA-N 1 0 261.347 -1.042 20 30 CAEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001321800747 884520190 /nfs/dbraw/zinc/52/01/90/884520190.db2.gz KAWQBLKJTCSXOA-QMMMGPOBSA-N 1 0 272.305 -1.522 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1nccnc1N ZINC001321813083 884520535 /nfs/dbraw/zinc/52/05/35/884520535.db2.gz CRANLAFVOCJTHW-VIFPVBQESA-N 1 0 290.327 -1.484 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321842115 884524048 /nfs/dbraw/zinc/52/40/48/884524048.db2.gz LSONAXJCKGNNBR-VHSXEESVSA-N 1 0 295.343 -1.259 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001321887361 884525936 /nfs/dbraw/zinc/52/59/36/884525936.db2.gz SPVBVKMEBXLGFP-VIFPVBQESA-N 1 0 291.311 -1.361 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC(=O)N1 ZINC001321886808 884526272 /nfs/dbraw/zinc/52/62/72/884526272.db2.gz MVNFVNGGOAVTIB-VHSXEESVSA-N 1 0 295.343 -1.611 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001321906362 884526825 /nfs/dbraw/zinc/52/68/25/884526825.db2.gz GMZFPPHJZGAYQC-IUCAKERBSA-N 1 0 278.316 -1.350 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001321928898 884527125 /nfs/dbraw/zinc/52/71/25/884527125.db2.gz BWHCUTYTXKYMAG-IUCAKERBSA-N 1 0 289.357 -1.820 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@]1(F)CCOC1 ZINC001321958835 884529106 /nfs/dbraw/zinc/52/91/06/884529106.db2.gz RWVIPLXJUQAJIK-JOYOIKCWSA-N 1 0 286.307 -1.151 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001321957843 884530133 /nfs/dbraw/zinc/53/01/33/884530133.db2.gz UPPJUCKFICOFOX-IUCAKERBSA-N 1 0 295.347 -1.391 20 30 CAEDRO C=CCN(CC=C)C(=O)C[NH2+]C[C@H](C)NC(=O)C(N)=O ZINC001321969069 884530824 /nfs/dbraw/zinc/53/08/24/884530824.db2.gz QPSDUORWFOPNPR-JTQLQIEISA-N 1 0 282.344 -1.233 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001321978414 884533371 /nfs/dbraw/zinc/53/33/71/884533371.db2.gz NUPKQPVZVZUSTE-HZMBPMFUSA-N 1 0 294.355 -1.501 20 30 CAEDRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001322002633 884534233 /nfs/dbraw/zinc/53/42/33/884534233.db2.gz PDXIDXVJHLOXAH-LLVKDONJSA-N 1 0 298.343 -1.568 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@H](C)NC(=O)CNC(C)=O ZINC001322102232 884536581 /nfs/dbraw/zinc/53/65/81/884536581.db2.gz BVXCUDXECHVHQJ-JTQLQIEISA-N 1 0 282.344 -1.692 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001322059397 884538402 /nfs/dbraw/zinc/53/84/02/884538402.db2.gz GFTIQZKVUQEHEL-VIFPVBQESA-N 1 0 261.347 -1.395 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001322161485 884541037 /nfs/dbraw/zinc/54/10/37/884541037.db2.gz UZYWLGHFSFDINK-SECBINFHSA-N 1 0 280.332 -1.001 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001322161486 884542263 /nfs/dbraw/zinc/54/22/63/884542263.db2.gz UZYWLGHFSFDINK-VIFPVBQESA-N 1 0 280.332 -1.001 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001322530277 884561220 /nfs/dbraw/zinc/56/12/20/884561220.db2.gz GGMSDFPPVUINHC-UHFFFAOYSA-N 1 0 292.339 -1.382 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001322650149 884566142 /nfs/dbraw/zinc/56/61/42/884566142.db2.gz AHUDYJBDGNDLPQ-PJXYFTJBSA-N 1 0 294.355 -1.043 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCCN(C)C(=O)C(N)=O ZINC001322672952 884570034 /nfs/dbraw/zinc/57/00/34/884570034.db2.gz NUKJYDOJXPEQOY-UHFFFAOYSA-N 1 0 297.359 -1.328 20 30 CAEDRO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001322693461 884570782 /nfs/dbraw/zinc/57/07/82/884570782.db2.gz KYHNUYLPAJKGCJ-LLVKDONJSA-N 1 0 268.361 -1.007 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001322999623 884592321 /nfs/dbraw/zinc/59/23/21/884592321.db2.gz JGESLOCNPOSWPI-KOLCDFICSA-N 1 0 267.329 -1.006 20 30 CAEDRO C[C@@H](NC(=O)NCC(=O)NCC#N)[C@H]1CN(C)CCO1 ZINC001323068055 884596812 /nfs/dbraw/zinc/59/68/12/884596812.db2.gz HRJMDWUDUWVGCD-NXEZZACHSA-N 1 0 283.332 -1.356 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001323443991 884617148 /nfs/dbraw/zinc/61/71/48/884617148.db2.gz UAIKBYPRUORCKY-LLVKDONJSA-N 1 0 292.339 -1.097 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](O)C(C)C)CC1 ZINC001323436191 884618570 /nfs/dbraw/zinc/61/85/70/884618570.db2.gz UTMIOPOYFNOYJD-GFCCVEGCSA-N 1 0 281.356 -1.009 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)c2cn[nH]n2)CC1 ZINC001323481203 884620846 /nfs/dbraw/zinc/62/08/46/884620846.db2.gz HXFACDAHBVNCAC-UHFFFAOYSA-N 1 0 278.316 -1.041 20 30 CAEDRO N#CCNC(=O)CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001323826755 884638052 /nfs/dbraw/zinc/63/80/52/884638052.db2.gz BOPMXQDQTMLRHK-GHMZBOCLSA-N 1 0 295.343 -1.211 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001324080952 884648113 /nfs/dbraw/zinc/64/81/13/884648113.db2.gz LFMVPMAPAQZYNE-ZJUUUORDSA-N 1 0 280.328 -1.810 20 30 CAEDRO CN(C(=O)C[NH+]1CCCC1)C1CN(CC(=O)NCC#N)C1 ZINC001324017861 884648344 /nfs/dbraw/zinc/64/83/44/884648344.db2.gz PZHRKRWOQPMKEI-UHFFFAOYSA-N 1 0 293.371 -1.135 20 30 CAEDRO CN(CC(=O)NCC#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001324112756 884649886 /nfs/dbraw/zinc/64/98/86/884649886.db2.gz TVGZMNKBMIHGDS-VIFPVBQESA-N 1 0 274.346 -1.408 20 30 CAEDRO C#CCNC(=O)CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001324214335 884654154 /nfs/dbraw/zinc/65/41/54/884654154.db2.gz URTMAPMGQRUMGL-UHFFFAOYSA-N 1 0 278.312 -1.200 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C(N)=O)C1CCCC1 ZINC001324497344 884675439 /nfs/dbraw/zinc/67/54/39/884675439.db2.gz JMJVWVMYJFTTGJ-LLVKDONJSA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001324655360 884685547 /nfs/dbraw/zinc/68/55/47/884685547.db2.gz BPPRNAASIUEGGU-FZMZJTMJSA-N 1 0 294.355 -1.420 20 30 CAEDRO N#CCNC(=O)CN1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001325052725 884701643 /nfs/dbraw/zinc/70/16/43/884701643.db2.gz BCDJYLZAYHCYKX-AWEZNQCLSA-N 1 0 294.355 -1.021 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001325081314 884703758 /nfs/dbraw/zinc/70/37/58/884703758.db2.gz HKOUWQQPBWOKHI-AWEZNQCLSA-N 1 0 279.340 -1.349 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001325095166 884704288 /nfs/dbraw/zinc/70/42/88/884704288.db2.gz BKBOZDSRMIIFSP-GFCCVEGCSA-N 1 0 280.332 -1.198 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001325081318 884705282 /nfs/dbraw/zinc/70/52/82/884705282.db2.gz HKOUWQQPBWOKHI-CQSZACIVSA-N 1 0 279.340 -1.349 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001325095168 884705924 /nfs/dbraw/zinc/70/59/24/884705924.db2.gz BKBOZDSRMIIFSP-LBPRGKRZSA-N 1 0 280.332 -1.198 20 30 CAEDRO CC#CC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001325064644 884706003 /nfs/dbraw/zinc/70/60/03/884706003.db2.gz BEJDIKYQFQIPLU-ZDUSSCGKSA-N 1 0 283.328 -1.081 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001325121891 884708814 /nfs/dbraw/zinc/70/88/14/884708814.db2.gz AKZCCHLZBBSQRG-LLVKDONJSA-N 1 0 266.305 -1.437 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001325122305 884709447 /nfs/dbraw/zinc/70/94/47/884709447.db2.gz FBEMYGJCSSAPJL-FZMZJTMJSA-N 1 0 279.340 -1.349 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001325127239 884710288 /nfs/dbraw/zinc/71/02/88/884710288.db2.gz UGZOBEIFXQMEMP-GBIKHYSHSA-N 1 0 265.313 -1.706 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001325098605 884710491 /nfs/dbraw/zinc/71/04/91/884710491.db2.gz SOOQKZVSBNKSEM-GXTWGEPZSA-N 1 0 284.356 -1.040 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001325128316 884710929 /nfs/dbraw/zinc/71/09/29/884710929.db2.gz YQUFYLIQJAKZOY-CQSZACIVSA-N 1 0 291.355 -1.066 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001325098607 884711828 /nfs/dbraw/zinc/71/18/28/884711828.db2.gz SOOQKZVSBNKSEM-JSGCOSHPSA-N 1 0 284.356 -1.040 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001325124507 884711336 /nfs/dbraw/zinc/71/13/36/884711336.db2.gz WPDRGXXJMGZQAH-GWCFXTLKSA-N 1 0 280.328 -1.756 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001325124510 884712002 /nfs/dbraw/zinc/71/20/02/884712002.db2.gz WPDRGXXJMGZQAH-ZWNOBZJWSA-N 1 0 280.328 -1.756 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001325161466 884715796 /nfs/dbraw/zinc/71/57/96/884715796.db2.gz OKCIYWFHLBJUSF-LBPRGKRZSA-N 1 0 270.333 -1.216 20 30 CAEDRO COCC#CCN1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001325188439 884716929 /nfs/dbraw/zinc/71/69/29/884716929.db2.gz BMSPUIJDFMLYFI-ZDUSSCGKSA-N 1 0 295.383 -1.107 20 30 CAEDRO COCC#CCN1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325188438 884716988 /nfs/dbraw/zinc/71/69/88/884716988.db2.gz BMSPUIJDFMLYFI-CYBMUJFWSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001325356041 884728425 /nfs/dbraw/zinc/72/84/25/884728425.db2.gz MAZCKBUOSTWHTN-UHFFFAOYSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001325466211 884732793 /nfs/dbraw/zinc/73/27/93/884732793.db2.gz LFDVSCBCRKOYLL-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001325466213 884732958 /nfs/dbraw/zinc/73/29/58/884732958.db2.gz LFDVSCBCRKOYLL-QWRGUYRKSA-N 1 0 287.385 -1.005 20 30 CAEDRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001326057179 884762277 /nfs/dbraw/zinc/76/22/77/884762277.db2.gz GRQHNCUXISGUAU-XLPZGREQSA-N 1 0 260.319 -1.848 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001325762516 884739333 /nfs/dbraw/zinc/73/93/33/884739333.db2.gz OKOWVIUUMNPMHR-MXWKQRLJSA-N 1 0 294.355 -1.447 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001325713106 884740703 /nfs/dbraw/zinc/74/07/03/884740703.db2.gz PNPDNDMYAYKKDT-LLVKDONJSA-N 1 0 282.344 -2.146 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCn1cnc(C#N)n1 ZINC001325843769 884742678 /nfs/dbraw/zinc/74/26/78/884742678.db2.gz HKIYZFGUNQVDLI-LLVKDONJSA-N 1 0 277.332 -1.054 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NCC(C)(C)[NH3+])nn1 ZINC001325830421 884743706 /nfs/dbraw/zinc/74/37/06/884743706.db2.gz UZUBXJWIFAAQOE-UHFFFAOYSA-N 1 0 280.332 -1.066 20 30 CAEDRO C#CC[NH2+]C1CCN(CCNC(=O)c2nnn(C)n2)CC1 ZINC001325806912 884744568 /nfs/dbraw/zinc/74/45/68/884744568.db2.gz XAJWCMDZFOQKOT-UHFFFAOYSA-N 1 0 291.359 -1.373 20 30 CAEDRO COCC#CC[NH2+]C1CCN(CCNC(=O)C(N)=O)CC1 ZINC001325805958 884745960 /nfs/dbraw/zinc/74/59/60/884745960.db2.gz OHZYSAIWVXUHSK-UHFFFAOYSA-N 1 0 296.371 -1.708 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H](C)C[NH3+])nn1 ZINC001325861239 884747910 /nfs/dbraw/zinc/74/79/10/884747910.db2.gz BJNNXAHRSYYQLV-MRVPVSSYSA-N 1 0 266.305 -1.456 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(CC[NH3+])CCO)nn1 ZINC001325864140 884747935 /nfs/dbraw/zinc/74/79/35/884747935.db2.gz TXVDNAUFOGFYPA-UHFFFAOYSA-N 1 0 296.331 -2.140 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@@H]1C ZINC001325971537 884754870 /nfs/dbraw/zinc/75/48/70/884754870.db2.gz KQZUJQQZZILQBN-NWDGAFQWSA-N 1 0 281.356 -1.198 20 30 CAEDRO CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc(C#N)[nH]1 ZINC001326010280 884755068 /nfs/dbraw/zinc/75/50/68/884755068.db2.gz XTQQGGNNROCIOS-UHFFFAOYSA-N 1 0 293.327 -1.344 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)Cn1cccn1 ZINC001325980382 884755160 /nfs/dbraw/zinc/75/51/60/884755160.db2.gz OKPPZYRIPFXYLC-UHFFFAOYSA-N 1 0 250.302 -1.073 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1 ZINC001325988675 884755277 /nfs/dbraw/zinc/75/52/77/884755277.db2.gz IYKTVNAKCQTPHH-LLVKDONJSA-N 1 0 267.329 -1.301 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001325988631 884755305 /nfs/dbraw/zinc/75/53/05/884755305.db2.gz ILFKIMBARIGERR-NSHDSACASA-N 1 0 297.359 -1.418 20 30 CAEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+]CCn1cncn1 ZINC001325990430 884755574 /nfs/dbraw/zinc/75/55/74/884755574.db2.gz QZOZJPOIFSAELF-LLVKDONJSA-N 1 0 280.332 -1.152 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN(C)C(C)=O ZINC001325981111 884756361 /nfs/dbraw/zinc/75/63/61/884756361.db2.gz UZXBQKXQFITWHS-UHFFFAOYSA-N 1 0 255.318 -1.492 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)CS(C)(=O)=O ZINC001325983573 884756929 /nfs/dbraw/zinc/75/69/29/884756929.db2.gz FLRUWHDUPWSDJF-UHFFFAOYSA-N 1 0 264.347 -1.373 20 30 CAEDRO CNC(=O)C[NH2+]CCN(CCO)C(=O)C#CC(C)C ZINC001326021726 884758849 /nfs/dbraw/zinc/75/88/49/884758849.db2.gz KNGUIMXVCSBORT-UHFFFAOYSA-N 1 0 269.345 -1.198 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)CNC(=O)NC ZINC001326032636 884759392 /nfs/dbraw/zinc/75/93/92/884759392.db2.gz GMUJEMRLEFCLMN-UHFFFAOYSA-N 1 0 270.333 -1.651 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C#CC1CC1 ZINC001326020995 884760492 /nfs/dbraw/zinc/76/04/92/884760492.db2.gz GGNZMMIQKAGJRV-LLVKDONJSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)S(C)(=O)=O ZINC001326046202 884762615 /nfs/dbraw/zinc/76/26/15/884762615.db2.gz TXTPQOORUACMBV-NSHDSACASA-N 1 0 290.385 -1.147 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001326070519 884762864 /nfs/dbraw/zinc/76/28/64/884762864.db2.gz PHIGAXQUYVSHPL-GHMZBOCLSA-N 1 0 267.329 -1.458 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001326070543 884762901 /nfs/dbraw/zinc/76/29/01/884762901.db2.gz PHIGAXQUYVSHPL-WDEREUQCSA-N 1 0 267.329 -1.458 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001326042659 884763539 /nfs/dbraw/zinc/76/35/39/884763539.db2.gz XRTOIVOYGMYMIG-NSHDSACASA-N 1 0 267.329 -1.444 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1COCCN1CC ZINC001326052131 884763904 /nfs/dbraw/zinc/76/39/04/884763904.db2.gz DDWMQEFHRYOSQG-ZDUSSCGKSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001326042657 884764369 /nfs/dbraw/zinc/76/43/69/884764369.db2.gz XRTOIVOYGMYMIG-LLVKDONJSA-N 1 0 267.329 -1.444 20 30 CAEDRO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001326057177 884764679 /nfs/dbraw/zinc/76/46/79/884764679.db2.gz GRQHNCUXISGUAU-RNJXMRFFSA-N 1 0 260.319 -1.848 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001326159622 884769645 /nfs/dbraw/zinc/76/96/45/884769645.db2.gz QDQFWQVTFRRVIL-NSHDSACASA-N 1 0 290.385 -1.289 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2nncn2C1 ZINC001326147769 884769889 /nfs/dbraw/zinc/76/98/89/884769889.db2.gz GYHJBQSGHZKSTN-LBPRGKRZSA-N 1 0 291.355 -1.116 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(C)CC[NH3+])nn1 ZINC001326142731 884769966 /nfs/dbraw/zinc/76/99/66/884769966.db2.gz ONRAIONMLOGNPN-UHFFFAOYSA-N 1 0 266.305 -1.503 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)Cn1cncn1 ZINC001326147581 884770260 /nfs/dbraw/zinc/77/02/60/884770260.db2.gz TVKFIGDSHNBKHX-UHFFFAOYSA-N 1 0 265.317 -1.288 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1 ZINC001326135281 884770395 /nfs/dbraw/zinc/77/03/95/884770395.db2.gz RNTJPUWXRGVKMU-JTQLQIEISA-N 1 0 255.318 -1.139 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CCn1cnccc1=O ZINC001326119404 884770446 /nfs/dbraw/zinc/77/04/46/884770446.db2.gz ODVURQHIDQSJCD-UHFFFAOYSA-N 1 0 292.339 -1.323 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)Cn1ccnc1 ZINC001326160676 884773884 /nfs/dbraw/zinc/77/38/84/884773884.db2.gz ZJLXQPSUPCJAFW-UHFFFAOYSA-N 1 0 294.355 -1.057 20 30 CAEDRO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001326304943 884781247 /nfs/dbraw/zinc/78/12/47/884781247.db2.gz CJIQYQGNJGVOAT-HTQZYQBOSA-N 1 0 279.300 -1.455 20 30 CAEDRO C#CCN1C(=O)C[C@H]([NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001326411832 884791455 /nfs/dbraw/zinc/79/14/55/884791455.db2.gz BWWPNXBBTCITPT-NSHDSACASA-N 1 0 293.323 -1.287 20 30 CAEDRO N#Cc1ncn(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001326577682 884811017 /nfs/dbraw/zinc/81/10/17/884811017.db2.gz MCVTUTZYAGIZDY-YUMQZZPRSA-N 1 0 252.253 -1.034 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCN1C(=O)CNC1=O ZINC001326599685 884811613 /nfs/dbraw/zinc/81/16/13/884811613.db2.gz ONFCVBDNXNRPOL-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC001326584052 884811641 /nfs/dbraw/zinc/81/16/41/884811641.db2.gz OLCMQKRHZFQETA-AXFHLTTASA-N 1 0 280.328 -1.101 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)nn1 ZINC001326583514 884812831 /nfs/dbraw/zinc/81/28/31/884812831.db2.gz ITGPNVGYZXQGBJ-SNVBAGLBSA-N 1 0 292.343 -1.052 20 30 CAEDRO CN(CCC#N)C(=O)CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC001326727915 884824928 /nfs/dbraw/zinc/82/49/28/884824928.db2.gz GXCCCHFYHXYMES-LBPRGKRZSA-N 1 0 268.317 -1.017 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](CCC(=O)NC)CC1 ZINC001326750237 884826263 /nfs/dbraw/zinc/82/62/63/884826263.db2.gz OEPWYYWLNZBTPH-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO N#Cc1nc(N)n(CC(=O)N2CC[NH2+]CC2)c1C#N ZINC001326806565 884836558 /nfs/dbraw/zinc/83/65/58/884836558.db2.gz WBNZKJMNOMTCSO-UHFFFAOYSA-N 1 0 259.273 -1.360 20 30 CAEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 ZINC001326906874 884846329 /nfs/dbraw/zinc/84/63/29/884846329.db2.gz OMKZSGULFPTQLD-BDAKNGLRSA-N 1 0 264.289 -1.276 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COC)CCO1 ZINC001326938639 884846624 /nfs/dbraw/zinc/84/66/24/884846624.db2.gz ZVUMHHQOJKRSDT-NWDGAFQWSA-N 1 0 297.355 -1.412 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CCO[C@H](C[NH3+])C2)n1 ZINC001326906791 884847072 /nfs/dbraw/zinc/84/70/72/884847072.db2.gz MEIXXNPVNUKOEJ-MRVPVSSYSA-N 1 0 250.262 -1.664 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)COC)CCO1 ZINC001326938638 884847775 /nfs/dbraw/zinc/84/77/75/884847775.db2.gz ZVUMHHQOJKRSDT-NEPJUHHUSA-N 1 0 297.355 -1.412 20 30 CAEDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 ZINC001326906879 884847885 /nfs/dbraw/zinc/84/78/85/884847885.db2.gz OMKZSGULFPTQLD-RKDXNWHRSA-N 1 0 264.289 -1.276 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001326977541 884849031 /nfs/dbraw/zinc/84/90/31/884849031.db2.gz IAVDXXGUKPGTGA-SNVBAGLBSA-N 1 0 266.305 -1.324 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001326959201 884849164 /nfs/dbraw/zinc/84/91/64/884849164.db2.gz WBGOMKVCBWDKCE-LLVKDONJSA-N 1 0 285.344 -1.248 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001326958936 884849345 /nfs/dbraw/zinc/84/93/45/884849345.db2.gz TVYKLKAVADPIIA-RYUDHWBXSA-N 1 0 297.355 -1.106 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001326958937 884849688 /nfs/dbraw/zinc/84/96/88/884849688.db2.gz TVYKLKAVADPIIA-VXGBXAGGSA-N 1 0 297.355 -1.106 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 ZINC001326975120 884850590 /nfs/dbraw/zinc/85/05/90/884850590.db2.gz UAAPWIQCCBPLDA-WDEREUQCSA-N 1 0 282.344 -1.117 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001326958935 884851267 /nfs/dbraw/zinc/85/12/67/884851267.db2.gz TVYKLKAVADPIIA-NWDGAFQWSA-N 1 0 297.355 -1.106 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)CN1CCCC1=O ZINC001326970662 884851136 /nfs/dbraw/zinc/85/11/36/884851136.db2.gz JYVWLBKUBYERMV-LLVKDONJSA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO1 ZINC001326991345 884852527 /nfs/dbraw/zinc/85/25/27/884852527.db2.gz QNZVCRPQBSUIII-MNOVXSKESA-N 1 0 288.369 -1.130 20 30 CAEDRO CN(C)C[C@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC001327002744 884853743 /nfs/dbraw/zinc/85/37/43/884853743.db2.gz MENHQVMPOYOUIG-NEPJUHHUSA-N 1 0 258.366 -1.295 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001327036670 884856670 /nfs/dbraw/zinc/85/66/70/884856670.db2.gz VCPKKDBDTTZKJM-UTUOFQBUSA-N 1 0 297.355 -1.120 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327181662 884866870 /nfs/dbraw/zinc/86/68/70/884866870.db2.gz GHESLRDMRWUFTG-WDEREUQCSA-N 1 0 265.313 -1.645 20 30 CAEDRO N#Cc1ncn(CC(=O)NC[C@@H]2C[NH2+]CCO2)n1 ZINC001327448237 884886073 /nfs/dbraw/zinc/88/60/73/884886073.db2.gz FAGOODADMCYNNN-QMMMGPOBSA-N 1 0 250.262 -1.746 20 30 CAEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001327486455 884894232 /nfs/dbraw/zinc/89/42/32/884894232.db2.gz PDEKHUDKYAREPK-KWQFWETISA-N 1 0 254.265 -1.071 20 30 CAEDRO COCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001327539723 884896398 /nfs/dbraw/zinc/89/63/98/884896398.db2.gz DHWPOOXHQMPQAE-ZDUSSCGKSA-N 1 0 298.343 -1.784 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001327523195 884898143 /nfs/dbraw/zinc/89/81/43/884898143.db2.gz FWPGJPAGFSXCRC-SNVBAGLBSA-N 1 0 271.317 -1.590 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001327553557 884902299 /nfs/dbraw/zinc/90/22/99/884902299.db2.gz CGQGWSXRLYHXSL-RISCZKNCSA-N 1 0 279.340 -1.159 20 30 CAEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C(CO)CO ZINC001327585476 884903816 /nfs/dbraw/zinc/90/38/16/884903816.db2.gz MFNMARWJLUUGSL-UHFFFAOYSA-N 1 0 254.290 -1.415 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001327582721 884904837 /nfs/dbraw/zinc/90/48/37/884904837.db2.gz NGVORJFBEVEDEX-UHFFFAOYSA-N 1 0 284.316 -1.378 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001327582733 884904875 /nfs/dbraw/zinc/90/48/75/884904875.db2.gz GRPWTEGQSANIKC-HBNTYKKESA-N 1 0 283.303 -1.255 20 30 CAEDRO C=CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327591751 884905909 /nfs/dbraw/zinc/90/59/09/884905909.db2.gz NJDXORAEOWVRPE-ZDUSSCGKSA-N 1 0 285.344 -1.383 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001327582731 884906451 /nfs/dbraw/zinc/90/64/51/884906451.db2.gz GRPWTEGQSANIKC-GMTAPVOTSA-N 1 0 283.303 -1.255 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)CNC(=O)NC)CCOCC1 ZINC001327638703 884913950 /nfs/dbraw/zinc/91/39/50/884913950.db2.gz IRLKSWSIXPOZKD-UHFFFAOYSA-N 1 0 282.344 -1.196 20 30 CAEDRO COCC#CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001327754397 884925506 /nfs/dbraw/zinc/92/55/06/884925506.db2.gz UDBYOCIMNXYOOX-UHFFFAOYSA-N 1 0 267.329 -1.131 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001327924088 884938178 /nfs/dbraw/zinc/93/81/78/884938178.db2.gz JPHSFSZEJYVYKC-NXEZZACHSA-N 1 0 290.327 -1.396 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327928891 884939322 /nfs/dbraw/zinc/93/93/22/884939322.db2.gz CXUOACIKGRNFDM-NWDGAFQWSA-N 1 0 297.355 -1.417 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])nn1 ZINC001327960556 884943078 /nfs/dbraw/zinc/94/30/78/884943078.db2.gz DNJMZUGWEQTUNH-SECBINFHSA-N 1 0 280.332 -1.209 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])nn1 ZINC001327960078 884944374 /nfs/dbraw/zinc/94/43/74/884944374.db2.gz AMYFJWUZBHGJQI-VIFPVBQESA-N 1 0 280.332 -1.066 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])nn1 ZINC001327960558 884944389 /nfs/dbraw/zinc/94/43/89/884944389.db2.gz DNJMZUGWEQTUNH-VIFPVBQESA-N 1 0 280.332 -1.209 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C(N)=O)CC1 ZINC001328017336 884947634 /nfs/dbraw/zinc/94/76/34/884947634.db2.gz KUZKSFXIJGQNAM-UHFFFAOYSA-N 1 0 282.344 -1.255 20 30 CAEDRO C#CCC[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001328156605 884955815 /nfs/dbraw/zinc/95/58/15/884955815.db2.gz ZMWYADOQUQJJFR-UHFFFAOYSA-N 1 0 267.329 -1.172 20 30 CAEDRO C=CCC[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001328197946 884958480 /nfs/dbraw/zinc/95/84/80/884958480.db2.gz GAQVOSDFCLSHSH-UHFFFAOYSA-N 1 0 255.318 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)=O ZINC001328311124 884969524 /nfs/dbraw/zinc/96/95/24/884969524.db2.gz UCKRWSPAVHRSOP-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C[C@@H](CCNC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001328354490 884972986 /nfs/dbraw/zinc/97/29/86/884972986.db2.gz VFZLZKNWWKHNCX-VIFPVBQESA-N 1 0 297.359 -1.378 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)nn1 ZINC001328370294 884974308 /nfs/dbraw/zinc/97/43/08/884974308.db2.gz NANOUDPTYWJZIY-VIFPVBQESA-N 1 0 280.332 -1.196 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001328368714 884975510 /nfs/dbraw/zinc/97/55/10/884975510.db2.gz XWXXCBXDQJWFCU-UHFFFAOYSA-N 1 0 298.343 -2.147 20 30 CAEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001328380779 884980110 /nfs/dbraw/zinc/98/01/10/884980110.db2.gz HWDNCZCGSPRWOX-DTWKUNHWSA-N 1 0 254.290 -1.539 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1nnn(C)n1 ZINC001328388656 884980165 /nfs/dbraw/zinc/98/01/65/884980165.db2.gz REFIUOUGMJPIEI-VIFPVBQESA-N 1 0 293.331 -1.943 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1nc[nH]n1 ZINC001328437768 884985761 /nfs/dbraw/zinc/98/57/61/884985761.db2.gz ZLOLBJNTEMQWRN-JTQLQIEISA-N 1 0 292.343 -1.419 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001328440484 884985903 /nfs/dbraw/zinc/98/59/03/884985903.db2.gz GQADGAGWQJZFSR-QWRGUYRKSA-N 1 0 294.355 -1.501 20 30 CAEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001328436710 884988477 /nfs/dbraw/zinc/98/84/77/884988477.db2.gz KZWIDRFDJLTASW-LLVKDONJSA-N 1 0 255.318 -1.186 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001328523637 884995369 /nfs/dbraw/zinc/99/53/69/884995369.db2.gz WYFYYHHEBGJLEH-YIZRAAEISA-N 1 0 251.290 -1.243 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC001328746320 885020685 /nfs/dbraw/zinc/02/06/85/885020685.db2.gz MKUUKPFQJIDLEV-UHFFFAOYSA-N 1 0 255.343 -1.099 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001328840179 885026192 /nfs/dbraw/zinc/02/61/92/885026192.db2.gz JPDAGNRQVANLEF-GJMOJQLCSA-N 1 0 258.303 -2.094 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001328840180 885026540 /nfs/dbraw/zinc/02/65/40/885026540.db2.gz JPDAGNRQVANLEF-PRJMDXOYSA-N 1 0 258.303 -2.094 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001328979034 885041882 /nfs/dbraw/zinc/04/18/82/885041882.db2.gz XZBPVIFUOZYWCF-WDEREUQCSA-N 1 0 280.332 -1.194 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001328979032 885042227 /nfs/dbraw/zinc/04/22/27/885042227.db2.gz XZBPVIFUOZYWCF-MNOVXSKESA-N 1 0 280.332 -1.194 20 30 CAEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001329003498 885046908 /nfs/dbraw/zinc/04/69/08/885046908.db2.gz LSYLAVMPZDYMOK-CABZTGNLSA-N 1 0 284.291 -1.445 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001329033629 885047683 /nfs/dbraw/zinc/04/76/83/885047683.db2.gz IRBWHLJJEANALT-ZJUUUORDSA-N 1 0 293.331 -2.095 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001329036901 885050076 /nfs/dbraw/zinc/05/00/76/885050076.db2.gz OOKDFGASCMDZDS-UWVGGRQHSA-N 1 0 292.343 -1.117 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001329036904 885051556 /nfs/dbraw/zinc/05/15/56/885051556.db2.gz OOKDFGASCMDZDS-VHSXEESVSA-N 1 0 292.343 -1.117 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001329036906 885052057 /nfs/dbraw/zinc/05/20/57/885052057.db2.gz OOKDFGASCMDZDS-ZJUUUORDSA-N 1 0 292.343 -1.117 20 30 CAEDRO C[NH2+]CCOCCNC(=O)NCC(=O)NCC#N ZINC001329054667 885055738 /nfs/dbraw/zinc/05/57/38/885055738.db2.gz LFDIXENDILYYTO-UHFFFAOYSA-N 1 0 257.294 -1.839 20 30 CAEDRO Cc1nn[nH]c1C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329090373 885059440 /nfs/dbraw/zinc/05/94/40/885059440.db2.gz LCOBPCRBUFEIJG-JGVFFNPUSA-N 1 0 293.331 -1.151 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329105658 885060400 /nfs/dbraw/zinc/06/04/00/885060400.db2.gz AZMNVUUAXAFGGV-SFYZADRCSA-N 1 0 256.306 -1.743 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCO1 ZINC001329092801 885060941 /nfs/dbraw/zinc/06/09/41/885060941.db2.gz IJEKZDHWVOZJTN-SNVBAGLBSA-N 1 0 296.327 -1.639 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001329098783 885062409 /nfs/dbraw/zinc/06/24/09/885062409.db2.gz CEPWBKJYZRHROH-HLTSFMKQSA-N 1 0 257.315 -1.209 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329108962 885063801 /nfs/dbraw/zinc/06/38/01/885063801.db2.gz JFJWZPHVTJNDRY-HTQZYQBOSA-N 1 0 254.290 -2.296 20 30 CAEDRO C[C@@H](NC(=O)C(N)=O)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329108923 885066229 /nfs/dbraw/zinc/06/62/29/885066229.db2.gz IUZHTCORJMWTFB-RNFRBKRXSA-N 1 0 255.278 -2.406 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)C(N)=O ZINC001329108926 885066436 /nfs/dbraw/zinc/06/64/36/885066436.db2.gz IUZHTCORJMWTFB-RQJHMYQMSA-N 1 0 255.278 -2.406 20 30 CAEDRO C[C@@H](NC(=O)C(N)=O)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329108921 885066962 /nfs/dbraw/zinc/06/69/62/885066962.db2.gz IUZHTCORJMWTFB-NKWVEPMBSA-N 1 0 255.278 -2.406 20 30 CAEDRO N#CCCCNC(=O)C(=O)NCCOCCC[NH3+] ZINC001329115927 885067148 /nfs/dbraw/zinc/06/71/48/885067148.db2.gz NFOXOKQXWNLBOX-UHFFFAOYSA-N 1 0 256.306 -1.112 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001329127457 885069061 /nfs/dbraw/zinc/06/90/61/885069061.db2.gz REXWLJCSDCJDMM-HTQZYQBOSA-N 1 0 299.356 -1.213 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCN1CC[C@@H](O)C1 ZINC001329146974 885073317 /nfs/dbraw/zinc/07/33/17/885073317.db2.gz DJVSHSGHETUSFR-CHWSQXEVSA-N 1 0 270.377 -1.151 20 30 CAEDRO N#CCNC(=O)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001329426753 885099301 /nfs/dbraw/zinc/09/93/01/885099301.db2.gz RJSNUXLTWWPYNU-MRVPVSSYSA-N 1 0 255.278 -2.086 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])nn1 ZINC001329466303 885107213 /nfs/dbraw/zinc/10/72/13/885107213.db2.gz QSTKHRJAGBLWNF-SECBINFHSA-N 1 0 280.332 -1.114 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001329607099 885120286 /nfs/dbraw/zinc/12/02/86/885120286.db2.gz HLWWLXLKYZASTF-SNVBAGLBSA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001329607096 885120374 /nfs/dbraw/zinc/12/03/74/885120374.db2.gz HLWWLXLKYZASTF-JTQLQIEISA-N 1 0 275.374 -1.053 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC001329612315 885123928 /nfs/dbraw/zinc/12/39/28/885123928.db2.gz LSWCYDKAFPZIRO-NSHDSACASA-N 1 0 283.328 -1.719 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001329644604 885125407 /nfs/dbraw/zinc/12/54/07/885125407.db2.gz XBLTWBMCESAHOR-YWPYICTPSA-N 1 0 291.351 -1.085 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001329644603 885126426 /nfs/dbraw/zinc/12/64/26/885126426.db2.gz XBLTWBMCESAHOR-SLEUVZQESA-N 1 0 291.351 -1.085 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1O ZINC001329646676 885126834 /nfs/dbraw/zinc/12/68/34/885126834.db2.gz JCQWFEJERKBDGQ-QJPTWQEYSA-N 1 0 257.334 -1.068 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CCN(C)C(=O)C(N)=O)C(C)C ZINC001329749230 885136547 /nfs/dbraw/zinc/13/65/47/885136547.db2.gz GFLUWFRPXDCVHG-LLVKDONJSA-N 1 0 296.371 -1.316 20 30 CAEDRO N#CCC(=O)N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001329753710 885138449 /nfs/dbraw/zinc/13/84/49/885138449.db2.gz JHJBBJHATKJEJR-UHFFFAOYSA-N 1 0 262.277 -1.402 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001329853418 885145059 /nfs/dbraw/zinc/14/50/59/885145059.db2.gz BVRMMVRJALUGCM-SNVBAGLBSA-N 1 0 271.317 -1.509 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001329853417 885147478 /nfs/dbraw/zinc/14/74/78/885147478.db2.gz BVRMMVRJALUGCM-JTQLQIEISA-N 1 0 271.317 -1.509 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC001329946592 885159185 /nfs/dbraw/zinc/15/91/85/885159185.db2.gz VCBZQWWJXUYBRD-QUNCOHTASA-N 1 0 278.312 -1.313 20 30 CAEDRO N#CCC1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001330010445 885165028 /nfs/dbraw/zinc/16/50/28/885165028.db2.gz VBUNGXGGTDKMAT-SNVBAGLBSA-N 1 0 280.328 -1.099 20 30 CAEDRO N#CCNC(=O)CNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC001330099881 885177161 /nfs/dbraw/zinc/17/71/61/885177161.db2.gz RVXXXLVPOVRZOM-LLVKDONJSA-N 1 0 295.343 -1.258 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCOCC[NH2+]C ZINC001330201550 885182680 /nfs/dbraw/zinc/18/26/80/885182680.db2.gz UPAWBBKTTHXKJC-GFCCVEGCSA-N 1 0 297.355 -1.459 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001330380464 885191812 /nfs/dbraw/zinc/19/18/12/885191812.db2.gz FRYFPRHGWQDSAK-GHMZBOCLSA-N 1 0 285.344 -1.120 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001330380469 885192205 /nfs/dbraw/zinc/19/22/05/885192205.db2.gz FRYFPRHGWQDSAK-WDEREUQCSA-N 1 0 285.344 -1.120 20 30 CAEDRO C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001330403161 885192676 /nfs/dbraw/zinc/19/26/76/885192676.db2.gz KQRBCCCDOAZQHF-RYUDHWBXSA-N 1 0 292.343 -1.098 20 30 CAEDRO C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001330403158 885193119 /nfs/dbraw/zinc/19/31/19/885193119.db2.gz KQRBCCCDOAZQHF-NWDGAFQWSA-N 1 0 292.343 -1.098 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC001330532917 885202742 /nfs/dbraw/zinc/20/27/42/885202742.db2.gz VDHDJIHRZHAQCE-IUCAKERBSA-N 1 0 252.274 -1.785 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N(CC[NH3+])CCO ZINC001330544507 885204302 /nfs/dbraw/zinc/20/43/02/885204302.db2.gz SJXBSPCBNWYIQA-UHFFFAOYSA-N 1 0 259.306 -1.915 20 30 CAEDRO C=CCN(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330542637 885204372 /nfs/dbraw/zinc/20/43/72/885204372.db2.gz BEOJZSGBZPUAEI-UHFFFAOYSA-N 1 0 279.300 -1.099 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1nc2ncccn2n1 ZINC001330590508 885205622 /nfs/dbraw/zinc/20/56/22/885205622.db2.gz BGFARAHKUFFCSJ-YUMQZZPRSA-N 1 0 257.257 -1.034 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001330565678 885207823 /nfs/dbraw/zinc/20/78/23/885207823.db2.gz PZJVVKAMMFJOIO-HAQNSBGRSA-N 1 0 292.343 -1.193 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001330567590 885208249 /nfs/dbraw/zinc/20/82/49/885208249.db2.gz JLPUKJPUMZMQMQ-OUAUKWLOSA-N 1 0 278.312 -1.300 20 30 CAEDRO COCC[N@H+](C)C[C@@H](O)Cn1cc(CNCC#N)nn1 ZINC001330800104 885231759 /nfs/dbraw/zinc/23/17/59/885231759.db2.gz NJVOKTJBWIOSAD-GFCCVEGCSA-N 1 0 282.348 -1.170 20 30 CAEDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001330859559 885237128 /nfs/dbraw/zinc/23/71/28/885237128.db2.gz IXAVMMHZDZNFJT-DTWKUNHWSA-N 1 0 254.290 -1.409 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)C1(C(N)=O)CC1 ZINC001331146169 885258209 /nfs/dbraw/zinc/25/82/09/885258209.db2.gz UUFHYKGZTMEHEI-UHFFFAOYSA-N 1 0 267.329 -1.050 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CCNC(=O)C(N)=O)C(C)C ZINC001331213771 885265550 /nfs/dbraw/zinc/26/55/50/885265550.db2.gz FAMJOXGEKKYBOA-SNVBAGLBSA-N 1 0 284.360 -1.106 20 30 CAEDRO C[C@@H](CN(C)C(=O)C1=COCCO1)[NH2+]CC(=O)NCC#N ZINC001331376487 885274952 /nfs/dbraw/zinc/27/49/52/885274952.db2.gz LNWWNPXLKRHVGJ-JTQLQIEISA-N 1 0 296.327 -1.049 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001331377578 885276841 /nfs/dbraw/zinc/27/68/41/885276841.db2.gz RWJPWSBMKWPFOS-UWVGGRQHSA-N 1 0 297.359 -1.413 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC001331488736 885279132 /nfs/dbraw/zinc/27/91/32/885279132.db2.gz PQPVEAICGXKIPN-WDEREUQCSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001331459096 885280699 /nfs/dbraw/zinc/28/06/99/885280699.db2.gz MYQUSFKFLHCENY-JTQLQIEISA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001331490876 885280935 /nfs/dbraw/zinc/28/09/35/885280935.db2.gz QVRXUPARIQUVAM-JTQLQIEISA-N 1 0 282.344 -1.692 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001331469017 885281320 /nfs/dbraw/zinc/28/13/20/885281320.db2.gz GMODDCZCUVUANK-IUCAKERBSA-N 1 0 266.301 -1.346 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001331517249 885284207 /nfs/dbraw/zinc/28/42/07/885284207.db2.gz FDCYQWLVXQCYMV-LLVKDONJSA-N 1 0 266.345 -1.512 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(N)=O ZINC001331542896 885286802 /nfs/dbraw/zinc/28/68/02/885286802.db2.gz ISPPMVAUNBNPJX-DTWKUNHWSA-N 1 0 270.333 -1.401 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001331576022 885293990 /nfs/dbraw/zinc/29/39/90/885293990.db2.gz LDQUZKNSLIVZAU-SNVBAGLBSA-N 1 0 292.339 -1.233 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001331615510 885295094 /nfs/dbraw/zinc/29/50/94/885295094.db2.gz KXJGERXAZLYEIQ-JTQLQIEISA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001331615522 885296860 /nfs/dbraw/zinc/29/68/60/885296860.db2.gz KXJGERXAZLYEIQ-SNVBAGLBSA-N 1 0 280.328 -1.050 20 30 CAEDRO N#CCCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331621087 885297357 /nfs/dbraw/zinc/29/73/57/885297357.db2.gz PNFILIJMXKOUIP-VIFPVBQESA-N 1 0 254.290 -1.489 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001331685203 885307965 /nfs/dbraw/zinc/30/79/65/885307965.db2.gz RCANVGPSDMOFFA-VHSXEESVSA-N 1 0 255.318 -1.092 20 30 CAEDRO Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)o1 ZINC001331670609 885302057 /nfs/dbraw/zinc/30/20/57/885302057.db2.gz ZMFQJEMZAQKLAJ-SNVBAGLBSA-N 1 0 294.311 -1.092 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CNC(C)=O ZINC001331663413 885304584 /nfs/dbraw/zinc/30/45/84/885304584.db2.gz JAGSKTPPDGHHHK-KOLCDFICSA-N 1 0 298.343 -2.673 20 30 CAEDRO CC(C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331663393 885304739 /nfs/dbraw/zinc/30/47/39/885304739.db2.gz FVGUDWBHAVFDFP-SNVBAGLBSA-N 1 0 270.333 -1.261 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001331664294 885306623 /nfs/dbraw/zinc/30/66/23/885306623.db2.gz HTAKWTZFPZVFGI-NSHDSACASA-N 1 0 284.312 -1.409 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001331683578 885308025 /nfs/dbraw/zinc/30/80/25/885308025.db2.gz LZAZAUYRKFDWKF-GHMZBOCLSA-N 1 0 256.302 -1.508 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001331680601 885308085 /nfs/dbraw/zinc/30/80/85/885308085.db2.gz BMIYKVLFHAKHJC-BDAKNGLRSA-N 1 0 297.315 -2.235 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CNC1=O ZINC001331680603 885308842 /nfs/dbraw/zinc/30/88/42/885308842.db2.gz BMIYKVLFHAKHJC-DTWKUNHWSA-N 1 0 297.315 -2.235 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001331683585 885309013 /nfs/dbraw/zinc/30/90/13/885309013.db2.gz LZAZAUYRKFDWKF-WDEREUQCSA-N 1 0 256.302 -1.508 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)NCC#N ZINC001331682367 885309177 /nfs/dbraw/zinc/30/91/77/885309177.db2.gz HMEQPPZKEKIAJD-QWRGUYRKSA-N 1 0 297.359 -2.213 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC=CC1 ZINC001331682384 885309298 /nfs/dbraw/zinc/30/92/98/885309298.db2.gz HMVRRDTWBRFRBU-LBPRGKRZSA-N 1 0 279.340 -1.231 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnsn1 ZINC001331680409 885310682 /nfs/dbraw/zinc/31/06/82/885310682.db2.gz CPKJMKXZTZZDNI-VIFPVBQESA-N 1 0 284.341 -1.132 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001331686083 885311620 /nfs/dbraw/zinc/31/16/20/885311620.db2.gz ULZUTYXVEORMPA-SECBINFHSA-N 1 0 264.347 -1.326 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)NCC#N ZINC001331682366 885312078 /nfs/dbraw/zinc/31/20/78/885312078.db2.gz HMEQPPZKEKIAJD-MNOVXSKESA-N 1 0 297.359 -2.213 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1[nH]ccc1C ZINC001331702928 885313203 /nfs/dbraw/zinc/31/32/03/885313203.db2.gz APDUYARXYJWBNN-NSHDSACASA-N 1 0 292.339 -1.247 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001331699226 885313775 /nfs/dbraw/zinc/31/37/75/885313775.db2.gz ZGUVCLLTUAADAR-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001331695392 885314668 /nfs/dbraw/zinc/31/46/68/885314668.db2.gz HIWUSSHPRWVUEP-NWDGAFQWSA-N 1 0 299.371 -1.076 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001331695389 885315663 /nfs/dbraw/zinc/31/56/63/885315663.db2.gz HIWUSSHPRWVUEP-NEPJUHHUSA-N 1 0 299.371 -1.076 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCO)[nH]1 ZINC001331696644 885316107 /nfs/dbraw/zinc/31/61/07/885316107.db2.gz LXCWZLSQMYMTII-SECBINFHSA-N 1 0 252.274 -1.441 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001331699225 885316450 /nfs/dbraw/zinc/31/64/50/885316450.db2.gz ZGUVCLLTUAADAR-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCO)[nH]1 ZINC001331696645 885316580 /nfs/dbraw/zinc/31/65/80/885316580.db2.gz LXCWZLSQMYMTII-VIFPVBQESA-N 1 0 252.274 -1.441 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001331695700 885316773 /nfs/dbraw/zinc/31/67/73/885316773.db2.gz IXWHJSANPVQEKK-LBPRGKRZSA-N 1 0 269.345 -1.591 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O ZINC001331704423 885317775 /nfs/dbraw/zinc/31/77/75/885317775.db2.gz FZIUGHCHIOXYLF-ZJUUUORDSA-N 1 0 255.318 -1.270 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001331703648 885317887 /nfs/dbraw/zinc/31/78/87/885317887.db2.gz COKBXNLHNRDMDY-NSHDSACASA-N 1 0 269.345 -1.199 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001331703645 885318329 /nfs/dbraw/zinc/31/83/29/885318329.db2.gz COKBXNLHNRDMDY-LLVKDONJSA-N 1 0 269.345 -1.199 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001331704581 885318970 /nfs/dbraw/zinc/31/89/70/885318970.db2.gz HETJUIMTADHYKG-VHSXEESVSA-N 1 0 286.332 -2.240 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001331725141 885322229 /nfs/dbraw/zinc/32/22/29/885322229.db2.gz LQOMMUBIDQTQLL-JTQLQIEISA-N 1 0 278.312 -1.516 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cccn2nnnc12 ZINC001331726889 885325823 /nfs/dbraw/zinc/32/58/23/885325823.db2.gz WKYVDZFRCVZXQC-SNVBAGLBSA-N 1 0 288.311 -1.172 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1COCCN1CC ZINC001331741961 885330775 /nfs/dbraw/zinc/33/07/75/885330775.db2.gz ZFUTZSHKUSKIBP-QWHCGFSZSA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)CC(C)C ZINC001331740149 885331156 /nfs/dbraw/zinc/33/11/56/885331156.db2.gz OBYBXJFQTSQNQN-NSHDSACASA-N 1 0 290.385 -1.243 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCN1C(=O)CCC1=O ZINC001331739993 885331758 /nfs/dbraw/zinc/33/17/58/885331758.db2.gz NFRYTWWQEOZJIW-JTQLQIEISA-N 1 0 283.328 -1.222 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(OC)n(C)n1 ZINC001331740213 885331859 /nfs/dbraw/zinc/33/18/59/885331859.db2.gz PFHGHQBKRPWQSG-VIFPVBQESA-N 1 0 266.301 -1.258 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)cc1 ZINC001331759823 885335805 /nfs/dbraw/zinc/33/58/05/885335805.db2.gz VXEWISOVBUPDJJ-GFCCVEGCSA-N 1 0 275.308 -1.167 20 30 CAEDRO C=C(Cl)CN[C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001331773364 885340326 /nfs/dbraw/zinc/34/03/26/885340326.db2.gz USQQVRVFJWDITP-BDAKNGLRSA-N 1 0 275.736 -1.058 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001331774763 885343506 /nfs/dbraw/zinc/34/35/06/885343506.db2.gz ONGKKIPGMQXWQS-QMMMGPOBSA-N 1 0 289.295 -1.023 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001331775808 885344681 /nfs/dbraw/zinc/34/46/81/885344681.db2.gz UYYQCBAKWMFGNU-BDAKNGLRSA-N 1 0 256.306 -1.689 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331791982 885349519 /nfs/dbraw/zinc/34/95/19/885349519.db2.gz YEBLRULAMIUMFG-YUMQZZPRSA-N 1 0 270.289 -2.163 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cnc1C ZINC001331817906 885350646 /nfs/dbraw/zinc/35/06/46/885350646.db2.gz BQNZEIZWZULCNV-GFCCVEGCSA-N 1 0 294.355 -1.023 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001331817801 885352246 /nfs/dbraw/zinc/35/22/46/885352246.db2.gz ACIWJTGVSRAWCZ-VIFPVBQESA-N 1 0 282.300 -2.420 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nocc1C ZINC001331826577 885352536 /nfs/dbraw/zinc/35/25/36/885352536.db2.gz UUAPAZQWFUMYIK-JTQLQIEISA-N 1 0 294.311 -1.587 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O)cn1 ZINC001331823345 885352640 /nfs/dbraw/zinc/35/26/40/885352640.db2.gz FCCROXXFKXCLBX-CABZTGNLSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001331825037 885353733 /nfs/dbraw/zinc/35/37/33/885353733.db2.gz MOBRWJOZDSEVLZ-SNVBAGLBSA-N 1 0 296.327 -1.982 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O)cn1 ZINC001331823351 885354085 /nfs/dbraw/zinc/35/40/85/885354085.db2.gz FCCROXXFKXCLBX-SKDRFNHKSA-N 1 0 290.323 -1.383 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001331819059 885354218 /nfs/dbraw/zinc/35/42/18/885354218.db2.gz KYTZDDVABZZNQR-SNVBAGLBSA-N 1 0 278.312 -1.516 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c(OC)ncnc1OC ZINC001331843819 885355696 /nfs/dbraw/zinc/35/56/96/885355696.db2.gz YEYKHNCFEBQTDK-VIFPVBQESA-N 1 0 294.311 -1.193 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c(OC)ncnc1OC ZINC001331843818 885357714 /nfs/dbraw/zinc/35/77/14/885357714.db2.gz YEYKHNCFEBQTDK-SECBINFHSA-N 1 0 294.311 -1.193 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nn(CC)nc1C ZINC001331842409 885357910 /nfs/dbraw/zinc/35/79/10/885357910.db2.gz PRBZUMMPLZCTLC-JTQLQIEISA-N 1 0 265.317 -1.080 20 30 CAEDRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001331853542 885360532 /nfs/dbraw/zinc/36/05/32/885360532.db2.gz UKACPASTHVRTAS-LLVKDONJSA-N 1 0 298.343 -1.568 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H]1C ZINC001331898658 885363385 /nfs/dbraw/zinc/36/33/85/885363385.db2.gz YFWYGAGYPWBCFX-PWSUYJOCSA-N 1 0 294.355 -1.549 20 30 CAEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn[nH]n1 ZINC001331902563 885366097 /nfs/dbraw/zinc/36/60/97/885366097.db2.gz KMWPRACWIHBHPZ-BDAKNGLRSA-N 1 0 291.315 -1.363 20 30 CAEDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001331970146 885368201 /nfs/dbraw/zinc/36/82/01/885368201.db2.gz HDRSENNBNFJGMH-ZJUUUORDSA-N 1 0 259.306 -1.372 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC001331969096 885370134 /nfs/dbraw/zinc/37/01/34/885370134.db2.gz ATDZNCJBOCVPNO-UHFFFAOYSA-N 1 0 292.343 -1.114 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NCC[NH2+]CC)nn1 ZINC001331948929 885371167 /nfs/dbraw/zinc/37/11/67/885371167.db2.gz HERWHUNCWNSETO-UHFFFAOYSA-N 1 0 280.332 -1.194 20 30 CAEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001332039013 885371469 /nfs/dbraw/zinc/37/14/69/885371469.db2.gz HTUUQIDIDGIYOK-PWSUYJOCSA-N 1 0 293.371 -1.009 20 30 CAEDRO CN1CC[N@H+](C)CC(C(=O)NCC(=O)NCC#N)C1 ZINC001332125029 885383312 /nfs/dbraw/zinc/38/33/12/885383312.db2.gz WHCXEYFYGWFWLK-UHFFFAOYSA-N 1 0 267.333 -1.764 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001332288723 885396122 /nfs/dbraw/zinc/39/61/22/885396122.db2.gz RJVHXRNRQAOAIL-SMDDNHRTSA-N 1 0 279.340 -1.180 20 30 CAEDRO C[NH2+]C[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC001332357146 885403379 /nfs/dbraw/zinc/40/33/79/885403379.db2.gz PCIHASKJYDYZCL-LLVKDONJSA-N 1 0 298.368 -1.103 20 30 CAEDRO CCCC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001332469715 885410689 /nfs/dbraw/zinc/41/06/89/885410689.db2.gz HBZLERCNDOEYIZ-SNVBAGLBSA-N 1 0 270.333 -1.165 20 30 CAEDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CSCC#N)C(N)=O ZINC001332474106 885413101 /nfs/dbraw/zinc/41/31/01/885413101.db2.gz AZPLYJTYLGZMMC-IUCAKERBSA-N 1 0 288.373 -1.474 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C(C)(C)F ZINC001332472469 885413203 /nfs/dbraw/zinc/41/32/03/885413203.db2.gz RFIAAORNQHKXJE-VIFPVBQESA-N 1 0 288.323 -1.217 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001332488323 885413914 /nfs/dbraw/zinc/41/39/14/885413914.db2.gz DHIOVGFXVZYDFO-VXGBXAGGSA-N 1 0 299.371 -1.266 20 30 CAEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CSCC#N)C(N)=O ZINC001332474103 885414109 /nfs/dbraw/zinc/41/41/09/885414109.db2.gz AZPLYJTYLGZMMC-BDAKNGLRSA-N 1 0 288.373 -1.474 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CC(=O)NCC ZINC001332505045 885415764 /nfs/dbraw/zinc/41/57/64/885415764.db2.gz QQIBOZLLFSQCJI-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001332504586 885416293 /nfs/dbraw/zinc/41/62/93/885416293.db2.gz OOZUAVNXQWPKBW-CYBMUJFWSA-N 1 0 283.372 -1.249 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332549626 885418233 /nfs/dbraw/zinc/41/82/33/885418233.db2.gz BWQAECNAMQWVNU-ZJUUUORDSA-N 1 0 255.318 -1.283 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001332530223 885418456 /nfs/dbraw/zinc/41/84/56/885418456.db2.gz SJSQTFJGIQTEMU-ZJUUUORDSA-N 1 0 276.358 -1.538 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001332537002 885418484 /nfs/dbraw/zinc/41/84/84/885418484.db2.gz QEILMRHWAAYERD-SECBINFHSA-N 1 0 251.290 -1.150 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001332537003 885418530 /nfs/dbraw/zinc/41/85/30/885418530.db2.gz QEILMRHWAAYERD-VIFPVBQESA-N 1 0 251.290 -1.150 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001332530218 885419008 /nfs/dbraw/zinc/41/90/08/885419008.db2.gz SJSQTFJGIQTEMU-NXEZZACHSA-N 1 0 276.358 -1.538 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332549624 885419061 /nfs/dbraw/zinc/41/90/61/885419061.db2.gz BWQAECNAMQWVNU-UWVGGRQHSA-N 1 0 255.318 -1.283 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)C1=O ZINC001332560867 885421237 /nfs/dbraw/zinc/42/12/37/885421237.db2.gz LWPYLTGMCUXZHO-NXEZZACHSA-N 1 0 298.343 -2.333 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001332553769 885421387 /nfs/dbraw/zinc/42/13/87/885421387.db2.gz XUCUJZZQQIXPMY-QWRGUYRKSA-N 1 0 282.344 -1.558 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001332562138 885421637 /nfs/dbraw/zinc/42/16/37/885421637.db2.gz STOGOSMKEYWHSN-GHMZBOCLSA-N 1 0 298.343 -2.274 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001332562139 885421656 /nfs/dbraw/zinc/42/16/56/885421656.db2.gz STOGOSMKEYWHSN-MNOVXSKESA-N 1 0 298.343 -2.274 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)C(N)=O ZINC001332560701 885421821 /nfs/dbraw/zinc/42/18/21/885421821.db2.gz KKBDOFVCZSEGST-LBPRGKRZSA-N 1 0 290.323 -1.048 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001332585740 885423205 /nfs/dbraw/zinc/42/32/05/885423205.db2.gz DCILPMUCHQQWJQ-SNVBAGLBSA-N 1 0 266.305 -1.895 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001332576235 885423411 /nfs/dbraw/zinc/42/34/11/885423411.db2.gz ZHXYCLFDAAUDJA-AXFHLTTASA-N 1 0 267.329 -1.460 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001332593196 885423696 /nfs/dbraw/zinc/42/36/96/885423696.db2.gz ZXXLSWIQDVWTBW-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001332602890 885426996 /nfs/dbraw/zinc/42/69/96/885426996.db2.gz SCLNGOGIXJKCPT-SNVBAGLBSA-N 1 0 283.328 -1.270 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001332604426 885427263 /nfs/dbraw/zinc/42/72/63/885427263.db2.gz AJIIPHLGEQXGEG-SNVBAGLBSA-N 1 0 291.373 -2.032 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001332616999 885427418 /nfs/dbraw/zinc/42/74/18/885427418.db2.gz BKCPPSAOIBPZGU-SNVBAGLBSA-N 1 0 298.343 -2.638 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001332616995 885427588 /nfs/dbraw/zinc/42/75/88/885427588.db2.gz BKCPPSAOIBPZGU-JTQLQIEISA-N 1 0 298.343 -2.638 20 30 CAEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001332664875 885429146 /nfs/dbraw/zinc/42/91/46/885429146.db2.gz XSCUXEHBIRKDSE-GHMZBOCLSA-N 1 0 284.360 -1.005 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001332631339 885429918 /nfs/dbraw/zinc/42/99/18/885429918.db2.gz HCXDRVVAPJTITG-KGLIPLIRSA-N 1 0 297.399 -1.173 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001332631337 885430867 /nfs/dbraw/zinc/43/08/67/885430867.db2.gz HCXDRVVAPJTITG-KBPBESRZSA-N 1 0 297.399 -1.173 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001332665032 885433431 /nfs/dbraw/zinc/43/34/31/885433431.db2.gz PIOKGHRYFZVJAR-LBPRGKRZSA-N 1 0 294.359 -1.162 20 30 CAEDRO CC(C)N(CCN(C)CC(=O)NCC#N)C(=O)C(N)=O ZINC001332722068 885435654 /nfs/dbraw/zinc/43/56/54/885435654.db2.gz DFNZZSJXOOJOSJ-UHFFFAOYSA-N 1 0 283.332 -1.720 20 30 CAEDRO C=CCNC(=O)CN(C)CCN(C(=O)C(N)=O)C(C)C ZINC001332722090 885437254 /nfs/dbraw/zinc/43/72/54/885437254.db2.gz FGHAFLYCHZXMQV-UHFFFAOYSA-N 1 0 284.360 -1.057 20 30 CAEDRO C#CCNC(=O)CN1CCN(C[C@H](O)COCC)CC1 ZINC001332842981 885443690 /nfs/dbraw/zinc/44/36/90/885443690.db2.gz OKZZOPXEUJEWFR-ZDUSSCGKSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001332891361 885445868 /nfs/dbraw/zinc/44/58/68/885445868.db2.gz AXWRHGXDBBVHDC-BXUZGUMPSA-N 1 0 295.339 -1.841 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CCO1 ZINC001332880665 885445672 /nfs/dbraw/zinc/44/56/72/885445672.db2.gz IWNHQYFDZQXDQR-NSHDSACASA-N 1 0 295.343 -2.241 20 30 CAEDRO CN1C(=O)[C@H]2C[N@H+](CC(=O)NCCC#N)C[C@H]2C1=O ZINC001333052729 885454023 /nfs/dbraw/zinc/45/40/23/885454023.db2.gz DKPFWXJQFHTEIZ-DTORHVGOSA-N 1 0 264.285 -1.437 20 30 CAEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001333164947 885459339 /nfs/dbraw/zinc/45/93/39/885459339.db2.gz AIDPSOZEZDVCMN-ZYHUDNBSSA-N 1 0 293.371 -1.091 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NCC[C@H](C)[NH3+])nn1 ZINC001333178446 885462633 /nfs/dbraw/zinc/46/26/33/885462633.db2.gz MDWKJYNRVZBSDG-VIFPVBQESA-N 1 0 280.332 -1.066 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)c1nnn(C)n1 ZINC001333243865 885465111 /nfs/dbraw/zinc/46/51/11/885465111.db2.gz BHIDSXOFUBJEIU-UHFFFAOYSA-N 1 0 266.305 -1.479 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333401752 885478173 /nfs/dbraw/zinc/47/81/73/885478173.db2.gz FCHVWIGIHDKGAS-AOOOYVTPSA-N 1 0 253.302 -1.394 20 30 CAEDRO C#CCN(CC(N)=O)C1CCN(CC(N)=O)CC1 ZINC001333465736 885481857 /nfs/dbraw/zinc/48/18/57/885481857.db2.gz BFQYJVOPQWRAJD-UHFFFAOYSA-N 1 0 252.318 -1.643 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001333547028 885489845 /nfs/dbraw/zinc/48/98/45/885489845.db2.gz CKGJGFLNFHFIBL-LLVKDONJSA-N 1 0 285.344 -1.200 20 30 CAEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC001333605890 885493701 /nfs/dbraw/zinc/49/37/01/885493701.db2.gz QYYQNXVGUDNELA-WCBMZHEXSA-N 1 0 255.274 -1.064 20 30 CAEDRO C#CCN1CCC[C@@H](NC(=O)C(=O)N=c2nc[nH]n2C)C1 ZINC001334180755 885527731 /nfs/dbraw/zinc/52/77/31/885527731.db2.gz UCYJVNOZNXQDRM-SNVBAGLBSA-N 1 0 290.327 -1.611 20 30 CAEDRO CN1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001334447830 885546725 /nfs/dbraw/zinc/54/67/25/885546725.db2.gz DYRKKBBVOLMWNX-ZJUUUORDSA-N 1 0 266.301 -1.442 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@H]1[NH3+] ZINC001334757738 885560840 /nfs/dbraw/zinc/56/08/40/885560840.db2.gz QZXKAUOEKYIHMQ-BREBYQMCSA-N 1 0 280.328 -1.067 20 30 CAEDRO C#CC1(O)CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001334951485 885571191 /nfs/dbraw/zinc/57/11/91/885571191.db2.gz KJPHUWWMUJWYNL-LLVKDONJSA-N 1 0 266.345 -1.378 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001335189440 885589334 /nfs/dbraw/zinc/58/93/34/885589334.db2.gz WTPJLWUFPAFAEM-CYBMUJFWSA-N 1 0 299.396 -1.219 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001335183634 885590001 /nfs/dbraw/zinc/59/00/01/885590001.db2.gz IRUIQFJQGDUOLO-NXEZZACHSA-N 1 0 253.302 -1.442 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001335233960 885596378 /nfs/dbraw/zinc/59/63/78/885596378.db2.gz WHPFCNWAPQELSK-OUAUKWLOSA-N 1 0 265.313 -1.429 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)nn1 ZINC001335248840 885600659 /nfs/dbraw/zinc/60/06/59/885600659.db2.gz TWPVYGLDDCYQHO-GXSJLCMTSA-N 1 0 292.343 -1.053 20 30 CAEDRO C#CCN(CC#CC)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001335262888 885602275 /nfs/dbraw/zinc/60/22/75/885602275.db2.gz NQVPIGRPQPTJCK-UHFFFAOYSA-N 1 0 290.367 -1.507 20 30 CAEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335282122 885605213 /nfs/dbraw/zinc/60/52/13/885605213.db2.gz RXXLEWRJCLMHHA-LBPRGKRZSA-N 1 0 293.371 -1.230 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001335284128 885606167 /nfs/dbraw/zinc/60/61/67/885606167.db2.gz YKIFHHQZVMPMDQ-NXEZZACHSA-N 1 0 251.286 -1.675 20 30 CAEDRO CN(CC[NH3+])C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001335302176 885609078 /nfs/dbraw/zinc/60/90/78/885609078.db2.gz NANUVLSJMRKUMY-NSHDSACASA-N 1 0 254.290 -1.455 20 30 CAEDRO CC#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001335304762 885610421 /nfs/dbraw/zinc/61/04/21/885610421.db2.gz TYWUTHSUWQIAOP-NSHDSACASA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001335397393 885617858 /nfs/dbraw/zinc/61/78/58/885617858.db2.gz GQLJWYPBKFFLDH-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCN(C)S(C)(=O)=O ZINC001335888899 885641011 /nfs/dbraw/zinc/64/10/11/885641011.db2.gz CMPIDXXXOFTTGN-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CCO1 ZINC001336118801 885649807 /nfs/dbraw/zinc/64/98/07/885649807.db2.gz KICHSLXXTRMIMT-SKDRFNHKSA-N 1 0 266.301 -1.313 20 30 CAEDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001336295882 885655600 /nfs/dbraw/zinc/65/56/00/885655600.db2.gz RGMUQHSXLXPOFS-GXFFZTMASA-N 1 0 298.318 -1.103 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCO1 ZINC001336300441 885655776 /nfs/dbraw/zinc/65/57/76/885655776.db2.gz NEQQVCTXRKZUCI-ZWNOBZJWSA-N 1 0 280.328 -1.065 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC001336299829 885656782 /nfs/dbraw/zinc/65/67/82/885656782.db2.gz JKFRVLJQZAQAGV-KWBADKCTSA-N 1 0 278.312 -1.300 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCO1 ZINC001336300439 885657009 /nfs/dbraw/zinc/65/70/09/885657009.db2.gz NEQQVCTXRKZUCI-GXFFZTMASA-N 1 0 280.328 -1.065 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001336555075 885665582 /nfs/dbraw/zinc/66/55/82/885665582.db2.gz XHLVMLVXUTXJIY-UHFFFAOYSA-N 1 0 284.360 -1.673 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001336554227 885665615 /nfs/dbraw/zinc/66/56/15/885665615.db2.gz PZAISWMPTDBDDY-UHFFFAOYSA-N 1 0 298.387 -1.156 20 30 CAEDRO N#C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC001336586506 885668411 /nfs/dbraw/zinc/66/84/11/885668411.db2.gz JHFMOVABKDIBPW-GFCCVEGCSA-N 1 0 293.371 -1.230 20 30 CAEDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001336664980 885678154 /nfs/dbraw/zinc/67/81/54/885678154.db2.gz XQNQBZGDWWEEBE-OPRDCNLKSA-N 1 0 266.301 -1.539 20 30 CAEDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001336664978 885678282 /nfs/dbraw/zinc/67/82/82/885678282.db2.gz XQNQBZGDWWEEBE-KXUCPTDWSA-N 1 0 266.301 -1.539 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1(O)CCOC1 ZINC001336793202 885684157 /nfs/dbraw/zinc/68/41/57/885684157.db2.gz ANYHEKSZPBUCHL-VXGBXAGGSA-N 1 0 257.334 -1.066 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@]1(O)CCOC1 ZINC001336793199 885684315 /nfs/dbraw/zinc/68/43/15/885684315.db2.gz ANYHEKSZPBUCHL-NEPJUHHUSA-N 1 0 257.334 -1.066 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001336963778 885688860 /nfs/dbraw/zinc/68/88/60/885688860.db2.gz CNVFEVZTMAOLGD-VIFPVBQESA-N 1 0 291.373 -1.443 20 30 CAEDRO CNC(NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)=[NH+]C ZINC001338448077 885746462 /nfs/dbraw/zinc/74/64/62/885746462.db2.gz UINKUOPGUNWXTN-MRVPVSSYSA-N 1 0 276.362 -1.525 20 30 CAEDRO CC#CCN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001340099642 885790811 /nfs/dbraw/zinc/79/08/11/885790811.db2.gz NPWNWPYBOUPYNQ-CYBMUJFWSA-N 1 0 267.329 -1.220 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC001340267629 885800016 /nfs/dbraw/zinc/80/00/16/885800016.db2.gz UTEGXYYCFGVVDI-LBPRGKRZSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001340415617 885803892 /nfs/dbraw/zinc/80/38/92/885803892.db2.gz GZUCAOALMFKWRM-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+]CC(=O)NCC1(C(N)=O)CCOCC1 ZINC001340605695 885807398 /nfs/dbraw/zinc/80/73/98/885807398.db2.gz ODMOGQUJFLTLAQ-UHFFFAOYSA-N 1 0 253.302 -1.393 20 30 CAEDRO C=CCCn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2O)nn1 ZINC001340786203 885815724 /nfs/dbraw/zinc/81/57/24/885815724.db2.gz LKJCPBUHVGAZDR-WCBMZHEXSA-N 1 0 251.290 -1.083 20 30 CAEDRO C=CCn1cc(CNC(=O)[C@H]2C[NH2+]CCN2C)nn1 ZINC001341145604 885827697 /nfs/dbraw/zinc/82/76/97/885827697.db2.gz NDFMKRWCYSALFK-LLVKDONJSA-N 1 0 264.333 -1.016 20 30 CAEDRO C#CC[NH2+]CC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001341440947 885842620 /nfs/dbraw/zinc/84/26/20/885842620.db2.gz BETGWDAVQTVFEO-GFCCVEGCSA-N 1 0 269.345 -1.639 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001341674841 885853272 /nfs/dbraw/zinc/85/32/72/885853272.db2.gz QBFQSIJXDLLGNS-LBPRGKRZSA-N 1 0 250.346 -1.285 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001341858157 885861712 /nfs/dbraw/zinc/86/17/12/885861712.db2.gz MZYKROCXPTTXTK-UHFFFAOYSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(c2nccnn2)CC1 ZINC001342199794 885876458 /nfs/dbraw/zinc/87/64/58/885876458.db2.gz RKSJAJARAMHDGM-UHFFFAOYSA-N 1 0 260.301 -1.257 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC001342243564 885879332 /nfs/dbraw/zinc/87/93/32/885879332.db2.gz LILCESBNDAUTTH-SECBINFHSA-N 1 0 259.331 -1.641 20 30 CAEDRO C#CC[NH2+]CC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001342477401 885889141 /nfs/dbraw/zinc/88/91/41/885889141.db2.gz XNKWVLYKPVXIPF-UHFFFAOYSA-N 1 0 273.358 -1.251 20 30 CAEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnc(C#N)n2)C1 ZINC001342571552 885889350 /nfs/dbraw/zinc/88/93/50/885889350.db2.gz TYMUKIIXPPHGQM-LLVKDONJSA-N 1 0 264.289 -1.667 20 30 CAEDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnc(C#N)n2)C1 ZINC001342571557 885889907 /nfs/dbraw/zinc/88/99/07/885889907.db2.gz TYMUKIIXPPHGQM-NSHDSACASA-N 1 0 264.289 -1.667 20 30 CAEDRO C[NH2+]CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001342696718 885896780 /nfs/dbraw/zinc/89/67/80/885896780.db2.gz GEEKSVQMAFOUCY-SCZZXKLOSA-N 1 0 257.315 -1.397 20 30 CAEDRO C#CCNCC(=O)N=c1nc(C2CC[NH2+]CC2)[nH]n1C ZINC001343252371 885911583 /nfs/dbraw/zinc/91/15/83/885911583.db2.gz VTILKHZGCRBWJG-UHFFFAOYSA-N 1 0 276.344 -1.135 20 30 CAEDRO C#CC[NH2+]CC(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC001343333916 885911896 /nfs/dbraw/zinc/91/18/96/885911896.db2.gz GNIZCHCPOALRCZ-LLVKDONJSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)C(=O)NC)CC1 ZINC001344042093 885932619 /nfs/dbraw/zinc/93/26/19/885932619.db2.gz BIHGZRNSOCJDGM-NSHDSACASA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCSCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001345167906 885958768 /nfs/dbraw/zinc/95/87/68/885958768.db2.gz HALIEHYBDBKAOE-NSHDSACASA-N 1 0 298.412 -1.430 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)nn1 ZINC001345594598 885963645 /nfs/dbraw/zinc/96/36/45/885963645.db2.gz GOFOCLANZABEEV-JTQLQIEISA-N 1 0 292.343 -1.113 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001345632190 885966234 /nfs/dbraw/zinc/96/62/34/885966234.db2.gz GCACGSQGAHTIGL-SNVBAGLBSA-N 1 0 283.332 -1.666 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001345899111 885973559 /nfs/dbraw/zinc/97/35/59/885973559.db2.gz JMZKCWIHBXPHHT-LLVKDONJSA-N 1 0 285.344 -1.248 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)Cn1ccnn1 ZINC001345957684 885978096 /nfs/dbraw/zinc/97/80/96/885978096.db2.gz YYMWSYMKFMEIDE-SNVBAGLBSA-N 1 0 251.290 -1.632 20 30 CAEDRO CN1CC(=O)N(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001346047384 885986349 /nfs/dbraw/zinc/98/63/49/885986349.db2.gz RSYLVFNVWOAAEV-YUMQZZPRSA-N 1 0 265.273 -1.892 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001346279025 885996344 /nfs/dbraw/zinc/99/63/44/885996344.db2.gz YUUUKJMFGCEDIZ-GFCCVEGCSA-N 1 0 296.371 -1.886 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001347512696 886041531 /nfs/dbraw/zinc/04/15/31/886041531.db2.gz XLWPVPMKLZPOJY-UHFFFAOYSA-N 1 0 265.317 -1.037 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001348446312 886084827 /nfs/dbraw/zinc/08/48/27/886084827.db2.gz DXRZWEPNAJZYBE-VIFPVBQESA-N 1 0 254.290 -1.455 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001348446311 886086187 /nfs/dbraw/zinc/08/61/87/886086187.db2.gz DXRZWEPNAJZYBE-SECBINFHSA-N 1 0 254.290 -1.455 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC001348724481 886101261 /nfs/dbraw/zinc/10/12/61/886101261.db2.gz SONYXYBTMZANBU-GFCCVEGCSA-N 1 0 297.355 -1.459 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)NCC[NH2+]C2CC2)nn1 ZINC001348950838 886109213 /nfs/dbraw/zinc/10/92/13/886109213.db2.gz FXPXCNBOBLDYBF-UHFFFAOYSA-N 1 0 292.343 -1.052 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC001348954004 886109516 /nfs/dbraw/zinc/10/95/16/886109516.db2.gz XKEDJIOANMJMGA-QWRGUYRKSA-N 1 0 285.344 -1.527 20 30 CAEDRO C=CCS(=O)(=O)CC[NH2+]CCC(=O)NC(N)=O ZINC001348972224 886110316 /nfs/dbraw/zinc/11/03/16/886110316.db2.gz HYHRRQJQUGFGEN-UHFFFAOYSA-N 1 0 263.319 -1.238 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001349169579 886116447 /nfs/dbraw/zinc/11/64/47/886116447.db2.gz ODYADWWBIGKLII-DJLDLDEBSA-N 1 0 257.315 -1.351 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349867989 886155193 /nfs/dbraw/zinc/15/51/93/886155193.db2.gz UBEIRMGTNPIKOZ-IJLUTSLNSA-N 1 0 251.330 -1.125 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001350574732 886177448 /nfs/dbraw/zinc/17/74/48/886177448.db2.gz YUWVLEMNAJBGNH-GFCCVEGCSA-N 1 0 298.387 -1.333 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001350574733 886177847 /nfs/dbraw/zinc/17/78/47/886177847.db2.gz YUWVLEMNAJBGNH-LBPRGKRZSA-N 1 0 298.387 -1.333 20 30 CAEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(O)(CC#N)C1 ZINC001350728613 886183920 /nfs/dbraw/zinc/18/39/20/886183920.db2.gz ODCGEQXVEXOAII-ONGXEEELSA-N 1 0 253.302 -1.072 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCNC2=O)CC1 ZINC001350734574 886184160 /nfs/dbraw/zinc/18/41/60/886184160.db2.gz KWCGIVQEZYQTJT-NSHDSACASA-N 1 0 294.355 -1.242 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001351551506 886211157 /nfs/dbraw/zinc/21/11/57/886211157.db2.gz MZCVSSOLHPENCD-UHFFFAOYSA-N 1 0 283.328 -1.624 20 30 CAEDRO CN(CCOCC[NH3+])C(=O)NCC(=O)NCC#N ZINC001351540107 886212446 /nfs/dbraw/zinc/21/24/46/886212446.db2.gz VFEGDXKDJJNDRT-UHFFFAOYSA-N 1 0 257.294 -1.757 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC001351553508 886213327 /nfs/dbraw/zinc/21/33/27/886213327.db2.gz UPJQOOWBNDVZFH-UHFFFAOYSA-N 1 0 271.317 -1.814 20 30 CAEDRO N#C[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001351545433 886213345 /nfs/dbraw/zinc/21/33/45/886213345.db2.gz KMMYRDQAEUJDBV-ZJUUUORDSA-N 1 0 254.290 -1.091 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCN1CC[C@H](O)C1 ZINC001351678672 886223122 /nfs/dbraw/zinc/22/31/22/886223122.db2.gz DJVSHSGHETUSFR-QWHCGFSZSA-N 1 0 270.377 -1.151 20 30 CAEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)C2 ZINC001352084451 886236160 /nfs/dbraw/zinc/23/61/60/886236160.db2.gz NXBDQBOAKXUXQE-COPLHBTASA-N 1 0 292.339 -1.195 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001351984243 886236489 /nfs/dbraw/zinc/23/64/89/886236489.db2.gz WNHGQIRRPYQOEW-TUAOUCFPSA-N 1 0 277.324 -1.190 20 30 CAEDRO C#CCN(CC(=O)NC)C1CC[NH+](CC(=O)NC)CC1 ZINC001352935789 886256355 /nfs/dbraw/zinc/25/63/55/886256355.db2.gz UHHUYXDXWNZUFM-UHFFFAOYSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001353029498 886257620 /nfs/dbraw/zinc/25/76/20/886257620.db2.gz XBVPGXMISFTNJB-UHFFFAOYSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001353135470 886263022 /nfs/dbraw/zinc/26/30/22/886263022.db2.gz XIWVVUPESPCEEA-GFCCVEGCSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001353134988 886264955 /nfs/dbraw/zinc/26/49/55/886264955.db2.gz RCXOXHOPESYUBE-UHFFFAOYSA-N 1 0 297.355 -1.281 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001353194389 886267158 /nfs/dbraw/zinc/26/71/58/886267158.db2.gz PSQGMVNASWRUEP-UHFFFAOYSA-N 1 0 294.355 -1.194 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC001353182842 886267981 /nfs/dbraw/zinc/26/79/81/886267981.db2.gz HJGZWURRRUWPGW-SECBINFHSA-N 1 0 251.286 -1.546 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001353286511 886270876 /nfs/dbraw/zinc/27/08/76/886270876.db2.gz UJFZWWTVCVHFCC-UHFFFAOYSA-N 1 0 255.318 -1.004 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)N1CCN(C)CC1 ZINC001353203547 886273407 /nfs/dbraw/zinc/27/34/07/886273407.db2.gz OMWMHKNZBZWERB-UHFFFAOYSA-N 1 0 268.361 -1.006 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC001353459828 886279646 /nfs/dbraw/zinc/27/96/46/886279646.db2.gz OAJZGXLVURNZDM-UHFFFAOYSA-N 1 0 296.371 -1.884 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC001353612836 886283306 /nfs/dbraw/zinc/28/33/06/886283306.db2.gz IEMSRQOBCJEUKE-BDAKNGLRSA-N 1 0 251.290 -2.354 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CC(O)(C(N)=O)C2)CC1 ZINC001354103616 886300054 /nfs/dbraw/zinc/30/00/54/886300054.db2.gz XHFDGRLXXDJONV-UHFFFAOYSA-N 1 0 265.313 -1.610 20 30 CAEDRO CC(=O)NCC(=O)NCC(=O)NCC#CC[NH+](C)C ZINC001354110362 886300230 /nfs/dbraw/zinc/30/02/30/886300230.db2.gz DYGOBTGKWSDSDZ-UHFFFAOYSA-N 1 0 268.317 -2.080 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC001354398681 886310950 /nfs/dbraw/zinc/31/09/50/886310950.db2.gz ZTZVQPKAMYAVAT-ZJUUUORDSA-N 1 0 254.286 -1.002 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001356089406 886354688 /nfs/dbraw/zinc/35/46/88/886354688.db2.gz BNQSSZUUGXUSAN-GFCCVEGCSA-N 1 0 268.317 -1.065 20 30 CAEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001356090437 886356234 /nfs/dbraw/zinc/35/62/34/886356234.db2.gz KAHFPAOFHLZWKS-BXKDBHETSA-N 1 0 268.317 -1.067 20 30 CAEDRO CCN1CC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001356246906 886358260 /nfs/dbraw/zinc/35/82/60/886358260.db2.gz IHWITQCOGNJRAE-QWRGUYRKSA-N 1 0 280.328 -1.052 20 30 CAEDRO CCN1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001356246900 886358583 /nfs/dbraw/zinc/35/85/83/886358583.db2.gz IHWITQCOGNJRAE-GHMZBOCLSA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCN1CCN(C(C)=O)CC1 ZINC001356569530 886369063 /nfs/dbraw/zinc/36/90/63/886369063.db2.gz NVNFEZMMCKERKK-UHFFFAOYSA-N 1 0 280.372 -1.120 20 30 CAEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001357377778 886404086 /nfs/dbraw/zinc/40/40/86/886404086.db2.gz ZNYSVAMKFMOLHN-SNVBAGLBSA-N 1 0 252.318 -1.725 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C(N)=O ZINC001357929184 886414905 /nfs/dbraw/zinc/41/49/05/886414905.db2.gz LJURZEPURPRMKV-BYCRGOAPSA-N 1 0 292.339 -1.642 20 30 CAEDRO C=CCn1cc(C(=O)N2CC[NH2+]C[C@H]2CO)nn1 ZINC001358030661 886418112 /nfs/dbraw/zinc/41/81/12/886418112.db2.gz XGRTYCCYYAAIAV-VIFPVBQESA-N 1 0 251.290 -1.130 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001358415035 886427390 /nfs/dbraw/zinc/42/73/90/886427390.db2.gz MWIAPDDKESEISB-JTQLQIEISA-N 1 0 274.342 -1.519 20 30 CAEDRO C[NH+]1CCC(O)(CNC(=O)Cn2cnc(C#N)n2)CC1 ZINC001361947071 886509881 /nfs/dbraw/zinc/50/98/81/886509881.db2.gz SSZDQBBVZHGTDG-UHFFFAOYSA-N 1 0 278.316 -1.277 20 30 CAEDRO C[NH+]1CCN(CCNC(=O)Cn2cnc(C#N)n2)CC1 ZINC001362037340 886521065 /nfs/dbraw/zinc/52/10/65/886521065.db2.gz PYFBEUXDVBHOTL-UHFFFAOYSA-N 1 0 277.332 -1.487 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364759192 887132954 /nfs/dbraw/zinc/13/29/54/887132954.db2.gz WJGOZSFUOFKIMD-UWVGGRQHSA-N 1 0 295.343 -1.733 20 30 CAEDRO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001367572435 887394297 /nfs/dbraw/zinc/39/42/97/887394297.db2.gz AIJYKUYDSJXILW-ZJUUUORDSA-N 1 0 270.333 -1.309 20 30 CAEDRO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001367572427 887394444 /nfs/dbraw/zinc/39/44/44/887394444.db2.gz AIJYKUYDSJXILW-UWVGGRQHSA-N 1 0 270.333 -1.309 20 30 CAEDRO CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)C(N)=O ZINC001368396882 887483037 /nfs/dbraw/zinc/48/30/37/887483037.db2.gz VFNRCOBROWCQSE-UWVGGRQHSA-N 1 0 270.333 -1.180 20 30 CAEDRO CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)C(N)=O ZINC001368396891 887484573 /nfs/dbraw/zinc/48/45/73/887484573.db2.gz VFNRCOBROWCQSE-VHSXEESVSA-N 1 0 270.333 -1.180 20 30 CAEDRO N#Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)c1 ZINC001368521415 887490763 /nfs/dbraw/zinc/49/07/63/887490763.db2.gz PMGUWXPXYUQXTR-SNVBAGLBSA-N 1 0 291.311 -1.198 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001368892444 887506484 /nfs/dbraw/zinc/50/64/84/887506484.db2.gz FWEPLRMJWCCYKQ-SNVBAGLBSA-N 1 0 282.344 -1.083 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001369445965 887569178 /nfs/dbraw/zinc/56/91/78/887569178.db2.gz ADEDZPIHQZNQMP-GXSJLCMTSA-N 1 0 280.332 -1.116 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370748638 887633265 /nfs/dbraw/zinc/63/32/65/887633265.db2.gz GCNZWPUVEYIBOH-WDEREUQCSA-N 1 0 294.355 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370748628 887633562 /nfs/dbraw/zinc/63/35/62/887633562.db2.gz GCNZWPUVEYIBOH-GHMZBOCLSA-N 1 0 294.355 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001374591001 887803264 /nfs/dbraw/zinc/80/32/64/887803264.db2.gz ORJYDBYIMRHUHX-KOLCDFICSA-N 1 0 282.344 -1.166 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374592794 887803952 /nfs/dbraw/zinc/80/39/52/887803952.db2.gz FGOQZODGGYFXOE-NEPJUHHUSA-N 1 0 296.327 -1.426 20 30 CAEDRO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001374593355 887804546 /nfs/dbraw/zinc/80/45/46/887804546.db2.gz MWDKGSDOPJVPLI-WDEREUQCSA-N 1 0 296.327 -1.426 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001374591006 887805495 /nfs/dbraw/zinc/80/54/95/887805495.db2.gz ORJYDBYIMRHUHX-ONGXEEELSA-N 1 0 282.344 -1.166 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001375485394 887878614 /nfs/dbraw/zinc/87/86/14/887878614.db2.gz TWJYLWYPDFCTAM-XHNCKOQMSA-N 1 0 281.316 -1.175 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379186251 888096126 /nfs/dbraw/zinc/09/61/26/888096126.db2.gz KODRKRUFGAHUBQ-HTQZYQBOSA-N 1 0 282.304 -2.165 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001379197917 888102052 /nfs/dbraw/zinc/10/20/52/888102052.db2.gz CSKHMRJKHUXVSE-JGVFFNPUSA-N 1 0 278.740 -1.138 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001379199890 888102235 /nfs/dbraw/zinc/10/22/35/888102235.db2.gz REMWZLRSBNZKIE-SFYZADRCSA-N 1 0 277.708 -1.086 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379368706 888130617 /nfs/dbraw/zinc/13/06/17/888130617.db2.gz DDMIHERQAQGRGI-SCZZXKLOSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379368713 888130824 /nfs/dbraw/zinc/13/08/24/888130824.db2.gz DDMIHERQAQGRGI-WPRPVWTQSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379368702 888132013 /nfs/dbraw/zinc/13/20/13/888132013.db2.gz DDMIHERQAQGRGI-PSASIEDQSA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001379771307 888173027 /nfs/dbraw/zinc/17/30/27/888173027.db2.gz QYXLQUNNJAVCLP-SCZZXKLOSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001379771308 888173858 /nfs/dbraw/zinc/17/38/58/888173858.db2.gz QYXLQUNNJAVCLP-WCBMZHEXSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001382382891 888343117 /nfs/dbraw/zinc/34/31/17/888343117.db2.gz BTSVVDCGQJCOBN-NXEZZACHSA-N 1 0 270.333 -1.357 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001384824725 888434351 /nfs/dbraw/zinc/43/43/51/888434351.db2.gz HYESHFLJYWNVEH-MXWKQRLJSA-N 1 0 282.344 -1.214 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001389559487 888554339 /nfs/dbraw/zinc/55/43/39/888554339.db2.gz JZUNCJNSKTYTLR-VXNVDRBHSA-N 1 0 281.316 -1.175 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001389559475 888554796 /nfs/dbraw/zinc/55/47/96/888554796.db2.gz JZUNCJNSKTYTLR-CBAPKCEASA-N 1 0 281.316 -1.175 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001392363466 888683176 /nfs/dbraw/zinc/68/31/76/888683176.db2.gz COJSXOWJJPEDHE-JTQLQIEISA-N 1 0 293.327 -1.297 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392388068 888690483 /nfs/dbraw/zinc/69/04/83/888690483.db2.gz FQXZFLVZGAJZNT-IUCAKERBSA-N 1 0 290.751 -1.171 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392388084 888691472 /nfs/dbraw/zinc/69/14/72/888691472.db2.gz FQXZFLVZGAJZNT-RKDXNWHRSA-N 1 0 290.751 -1.171 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)NC ZINC001392429611 888705977 /nfs/dbraw/zinc/70/59/77/888705977.db2.gz REHOEXMDDZTMBP-QMMMGPOBSA-N 1 0 299.780 -1.645 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001393579093 888794721 /nfs/dbraw/zinc/79/47/21/888794721.db2.gz JZBOMXZZCNCAQW-DTWKUNHWSA-N 1 0 297.315 -1.842 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001394578431 888843337 /nfs/dbraw/zinc/84/33/37/888843337.db2.gz LSJYTJDMRPWJJY-GXSJLCMTSA-N 1 0 282.344 -1.261 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001394578454 888845293 /nfs/dbraw/zinc/84/52/93/888845293.db2.gz LSJYTJDMRPWJJY-MWLCHTKSSA-N 1 0 282.344 -1.261 20 30 CAEDRO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001394582000 888847529 /nfs/dbraw/zinc/84/75/29/888847529.db2.gz SMMQUJCXADUNNL-WDEREUQCSA-N 1 0 296.327 -1.426 20 30 CAEDRO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001394584336 888847548 /nfs/dbraw/zinc/84/75/48/888847548.db2.gz XBPXYCLFKJIITJ-VHSXEESVSA-N 1 0 270.333 -1.263 20 30 CAEDRO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001394584338 888848787 /nfs/dbraw/zinc/84/87/87/888848787.db2.gz XBPXYCLFKJIITJ-ZJUUUORDSA-N 1 0 270.333 -1.263 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001394589215 888852196 /nfs/dbraw/zinc/85/21/96/888852196.db2.gz XNEPQZPIWRARBH-KCJUWKMLSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001394732454 888889793 /nfs/dbraw/zinc/88/97/93/888889793.db2.gz SNMAIEKMKSXDMZ-DTWKUNHWSA-N 1 0 299.331 -1.989 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001398879285 889017875 /nfs/dbraw/zinc/01/78/75/889017875.db2.gz KKOQILFWLUDKFR-NXEZZACHSA-N 1 0 295.343 -1.801 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001398879353 889020120 /nfs/dbraw/zinc/02/01/20/889020120.db2.gz KKOQILFWLUDKFR-ZJUUUORDSA-N 1 0 295.343 -1.801 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001398879310 889020475 /nfs/dbraw/zinc/02/04/75/889020475.db2.gz KKOQILFWLUDKFR-UWVGGRQHSA-N 1 0 295.343 -1.801 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001399184124 889036593 /nfs/dbraw/zinc/03/65/93/889036593.db2.gz OWVROUXMNPXCFD-BDAKNGLRSA-N 1 0 281.316 -1.208 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001402268741 889208636 /nfs/dbraw/zinc/20/86/36/889208636.db2.gz TUMULLBWJHGNIU-WCQYABFASA-N 1 0 292.343 -1.009 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N ZINC001402527337 889245003 /nfs/dbraw/zinc/24/50/03/889245003.db2.gz ABPFTODIWABVQO-VHSXEESVSA-N 1 0 270.333 -1.309 20 30 CAEDRO CNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403646104 889326946 /nfs/dbraw/zinc/32/69/46/889326946.db2.gz BHJYTKHWGJXZIJ-VIFPVBQESA-N 1 0 279.300 -1.687 20 30 CAEDRO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403646096 889328208 /nfs/dbraw/zinc/32/82/08/889328208.db2.gz BHJYTKHWGJXZIJ-SECBINFHSA-N 1 0 279.300 -1.687 20 30 CAEDRO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403654536 889332327 /nfs/dbraw/zinc/33/23/27/889332327.db2.gz KAWUIXQWBGMXHM-WDEREUQCSA-N 1 0 296.327 -1.426 20 30 CAEDRO CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001403680716 889344285 /nfs/dbraw/zinc/34/42/85/889344285.db2.gz LPUGVBPPDIGRLM-UWVGGRQHSA-N 1 0 270.333 -1.261 20 30 CAEDRO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403673350 889345163 /nfs/dbraw/zinc/34/51/63/889345163.db2.gz ZALAOGLEVRSJSP-JTQLQIEISA-N 1 0 293.327 -1.297 20 30 CAEDRO CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001403680725 889345202 /nfs/dbraw/zinc/34/52/02/889345202.db2.gz LPUGVBPPDIGRLM-VHSXEESVSA-N 1 0 270.333 -1.261 20 30 CAEDRO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001403673359 889345864 /nfs/dbraw/zinc/34/58/64/889345864.db2.gz ZALAOGLEVRSJSP-SNVBAGLBSA-N 1 0 293.327 -1.297 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C ZINC001405359180 889453420 /nfs/dbraw/zinc/45/34/20/889453420.db2.gz GQQGDWFSOBJOTO-UWVGGRQHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001406197941 889480861 /nfs/dbraw/zinc/48/08/61/889480861.db2.gz AMGDSFUKGYJLIH-ONGXEEELSA-N 1 0 282.344 -1.261 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001406197927 889481385 /nfs/dbraw/zinc/48/13/85/889481385.db2.gz AMGDSFUKGYJLIH-MWLCHTKSSA-N 1 0 282.344 -1.261 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)c[nH]1 ZINC001406206551 889484717 /nfs/dbraw/zinc/48/47/17/889484717.db2.gz GKOVHFSWCTUQRF-GHMZBOCLSA-N 1 0 291.311 -1.545 20 30 CAEDRO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001406208288 889484797 /nfs/dbraw/zinc/48/47/97/889484797.db2.gz IFAQDOSZWRTHHK-NXEZZACHSA-N 1 0 270.333 -1.263 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001406211760 889485407 /nfs/dbraw/zinc/48/54/07/889485407.db2.gz KRRUQILSUOTZGM-KCJUWKMLSA-N 1 0 293.327 -1.299 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001407563115 889584041 /nfs/dbraw/zinc/58/40/41/889584041.db2.gz YBQYQPOLFQJVLI-LPEHRKFASA-N 1 0 293.327 -1.269 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001410169544 889664972 /nfs/dbraw/zinc/66/49/72/889664972.db2.gz ZWGDNUIBBDCYJC-UWVGGRQHSA-N 1 0 270.333 -1.309 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411240898 889743313 /nfs/dbraw/zinc/74/33/13/889743313.db2.gz USTPOCKRRAETFL-AFPNSQJFSA-N 1 0 281.316 -1.080 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC001412933467 889912541 /nfs/dbraw/zinc/91/25/41/889912541.db2.gz VEJYWRSCRPAKMJ-GHMZBOCLSA-N 1 0 290.327 -1.183 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)n1 ZINC001412933471 889913606 /nfs/dbraw/zinc/91/36/06/889913606.db2.gz VEJYWRSCRPAKMJ-QWRGUYRKSA-N 1 0 290.327 -1.183 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)n1 ZINC001412933469 889914610 /nfs/dbraw/zinc/91/46/10/889914610.db2.gz VEJYWRSCRPAKMJ-MNOVXSKESA-N 1 0 290.327 -1.183 20 30 CAEDRO N#Cc1ncn(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)n1 ZINC001413679345 890004612 /nfs/dbraw/zinc/00/46/12/890004612.db2.gz AGBUPTOPAIAKKS-VIFPVBQESA-N 1 0 276.300 -1.261 20 30 CAEDRO N#Cc1ncn(CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC001414634540 890070559 /nfs/dbraw/zinc/07/05/59/890070559.db2.gz TWHJCJHHALGDHO-SNVBAGLBSA-N 1 0 293.331 -1.484 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001418047625 890185267 /nfs/dbraw/zinc/18/52/67/890185267.db2.gz BDXTYDSACXDPMH-CIUDSAMLSA-N 1 0 281.316 -1.162 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001418332787 890212364 /nfs/dbraw/zinc/21/23/64/890212364.db2.gz FYLAPHMPLKXKHB-IUCAKERBSA-N 1 0 281.316 -1.221 20 30 CAEDRO COC[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001419137391 890303874 /nfs/dbraw/zinc/30/38/74/890303874.db2.gz ZCLVMUUYEHPJNV-STQMWFEESA-N 1 0 298.387 -1.113 20 30 CAEDRO CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001420100912 890382296 /nfs/dbraw/zinc/38/22/96/890382296.db2.gz IJJIMBUPYKCRCF-WDEREUQCSA-N 1 0 284.360 -1.015 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001420100837 890383866 /nfs/dbraw/zinc/38/38/66/890383866.db2.gz HQKHATFOLNOLFS-VIFPVBQESA-N 1 0 279.300 -1.687 20 30 CAEDRO CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001420100893 890384798 /nfs/dbraw/zinc/38/47/98/890384798.db2.gz IJJIMBUPYKCRCF-MNOVXSKESA-N 1 0 284.360 -1.015 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001420117189 890391702 /nfs/dbraw/zinc/39/17/02/890391702.db2.gz SPBZMPHTKSABRP-SCZZXKLOSA-N 1 0 293.327 -1.299 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001420117217 890396131 /nfs/dbraw/zinc/39/61/31/890396131.db2.gz SPBZMPHTKSABRP-WPRPVWTQSA-N 1 0 293.327 -1.299 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001420141372 890397987 /nfs/dbraw/zinc/39/79/87/890397987.db2.gz PNFZDOUSIOPJIK-VIFPVBQESA-N 1 0 296.776 -1.150 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001421635224 890520031 /nfs/dbraw/zinc/52/00/31/890520031.db2.gz LHJYKOKNMYCMRX-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)c1 ZINC001422288374 890569380 /nfs/dbraw/zinc/56/93/80/890569380.db2.gz POISDQMANFHZGH-UWVGGRQHSA-N 1 0 291.311 -1.545 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)c1 ZINC001422288368 890569602 /nfs/dbraw/zinc/56/96/02/890569602.db2.gz POISDQMANFHZGH-NXEZZACHSA-N 1 0 291.311 -1.545 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)c1 ZINC001422288383 890570205 /nfs/dbraw/zinc/57/02/05/890570205.db2.gz POISDQMANFHZGH-ZJUUUORDSA-N 1 0 291.311 -1.545 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CCNC(N)=O ZINC001422401855 890587994 /nfs/dbraw/zinc/58/79/94/890587994.db2.gz DSWUMOUSLDAPRO-QMMMGPOBSA-N 1 0 278.740 -1.136 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001423189331 890635961 /nfs/dbraw/zinc/63/59/61/890635961.db2.gz KJZMIJLHYCLOAF-VHSXEESVSA-N 1 0 283.332 -1.762 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001423187328 890636460 /nfs/dbraw/zinc/63/64/60/890636460.db2.gz DGZDYVZKMWYVIB-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001423187327 890636497 /nfs/dbraw/zinc/63/64/97/890636497.db2.gz DGZDYVZKMWYVIB-MNOVXSKESA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O ZINC001424066757 890720188 /nfs/dbraw/zinc/72/01/88/890720188.db2.gz KJFQQPCZBXGIRF-QWRGUYRKSA-N 1 0 282.344 -1.213 20 30 CAEDRO CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001424389260 890730990 /nfs/dbraw/zinc/73/09/90/890730990.db2.gz FSZBANUAYWSEFH-GWCFXTLKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001425983987 890841918 /nfs/dbraw/zinc/84/19/18/890841918.db2.gz ROLVNTGDYBZXNS-WDEREUQCSA-N 1 0 282.344 -1.213 20 30 CAEDRO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001426536769 890860612 /nfs/dbraw/zinc/86/06/12/890860612.db2.gz HYESHFLJYWNVEH-HBNTYKKESA-N 1 0 282.344 -1.214 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437695317 891189610 /nfs/dbraw/zinc/18/96/10/891189610.db2.gz IMSBUSDPGUVCJB-BDAKNGLRSA-N 1 0 281.316 -1.221 20 30 CAEDRO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001438980291 891254095 /nfs/dbraw/zinc/25/40/95/891254095.db2.gz MWDKGSDOPJVPLI-MNOVXSKESA-N 1 0 296.327 -1.426 20 30 CAEDRO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001438980481 891255948 /nfs/dbraw/zinc/25/59/48/891255948.db2.gz KUDVSOBIHOBZEY-SECBINFHSA-N 1 0 279.300 -1.687 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001440307879 891365892 /nfs/dbraw/zinc/36/58/92/891365892.db2.gz KFXZYNDGPSCAIB-QMMMGPOBSA-N 1 0 281.316 -1.031 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](CO)CNC(C)=O ZINC001441657674 891423188 /nfs/dbraw/zinc/42/31/88/891423188.db2.gz RDCHVWRWGNDHAT-NSHDSACASA-N 1 0 270.333 -1.165 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)c1 ZINC001441670845 891426460 /nfs/dbraw/zinc/42/64/60/891426460.db2.gz NLLDONXAVFREHW-VHSXEESVSA-N 1 0 291.311 -1.545 20 30 CAEDRO C[NH+]1CCC(C#N)(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001443356348 891521013 /nfs/dbraw/zinc/52/10/13/891521013.db2.gz DYGRYHYCEMNFFQ-QMMMGPOBSA-N 1 0 279.300 -1.311 20 30 CAEDRO C[C@H](NC(=O)Cn1cnc(C#N)n1)[C@H]1C[N@H+](C)CCN1C ZINC001444409681 891572793 /nfs/dbraw/zinc/57/27/93/891572793.db2.gz KVZAKXCLAHDMDN-WDEREUQCSA-N 1 0 291.359 -1.100 20 30 CAEDRO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001445150736 891606995 /nfs/dbraw/zinc/60/69/95/891606995.db2.gz HTIODMYWQCWGAG-JTQLQIEISA-N 1 0 293.327 -1.297 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445149616 891607391 /nfs/dbraw/zinc/60/73/91/891607391.db2.gz GSNFVJMBXLIRDQ-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001445242135 891620381 /nfs/dbraw/zinc/62/03/81/891620381.db2.gz VVNRKKJIDSLGDL-JGVFFNPUSA-N 1 0 276.724 -1.513 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001445242141 891620557 /nfs/dbraw/zinc/62/05/57/891620557.db2.gz VVNRKKJIDSLGDL-SFYZADRCSA-N 1 0 276.724 -1.513 20 30 CAEDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001449101764 891825616 /nfs/dbraw/zinc/82/56/16/891825616.db2.gz MAXZIXJNRJYHKK-WPRPVWTQSA-N 1 0 293.327 -1.217 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001458016713 892115663 /nfs/dbraw/zinc/11/56/63/892115663.db2.gz DKNUNCJVUZVLQY-GHMZBOCLSA-N 1 0 294.355 -1.165 20 30 CAEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001460128231 892138651 /nfs/dbraw/zinc/13/86/51/892138651.db2.gz IXZLSCBOHACBGM-AOOOYVTPSA-N 1 0 278.312 -1.047 20 30 CAEDRO C[NH+](C)CCOCCNC(=O)Cn1cnc(C#N)n1 ZINC001466525379 892228016 /nfs/dbraw/zinc/22/80/16/892228016.db2.gz GVOLMTQCQUBTGJ-UHFFFAOYSA-N 1 0 266.305 -1.156 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NC[C@H]1CNC(=O)C1 ZINC001470516380 892317390 /nfs/dbraw/zinc/31/73/90/892317390.db2.gz DCPYWRSAUCGBAH-SNVBAGLBSA-N 1 0 252.318 -1.013 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NC[C@@H]1CNC(=O)C1 ZINC001470516378 892318587 /nfs/dbraw/zinc/31/85/87/892318587.db2.gz DCPYWRSAUCGBAH-JTQLQIEISA-N 1 0 252.318 -1.013 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001471035912 892339884 /nfs/dbraw/zinc/33/98/84/892339884.db2.gz IISLAKDDVYBHNN-UHFFFAOYSA-N 1 0 264.289 -1.942 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001471035194 892340687 /nfs/dbraw/zinc/34/06/87/892340687.db2.gz AQQGVONHGDOBAV-VHSXEESVSA-N 1 0 253.302 -1.300 20 30 CAEDRO Cn1c(NCC[N@H+](C)CCO)c(C#N)c(=O)n(C)c1=O ZINC001472876803 892408343 /nfs/dbraw/zinc/40/83/43/892408343.db2.gz UCNJKORKJNOOAX-UHFFFAOYSA-N 1 0 281.316 -1.708 20 30 CAEDRO C#CCN1CCN(C(=O)CN2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001473557368 892418039 /nfs/dbraw/zinc/41/80/39/892418039.db2.gz XUHNUBKYUMEITQ-ZIAGYGMSSA-N 1 0 295.383 -1.561 20 30 CAEDRO N#CC1(NC(=O)CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC001473490389 892418842 /nfs/dbraw/zinc/41/88/42/892418842.db2.gz FUHGOPQHTBOHPP-DTORHVGOSA-N 1 0 276.296 -1.247 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001473529529 892419077 /nfs/dbraw/zinc/41/90/77/892419077.db2.gz HDPWBNIVHCKAGR-NXEZZACHSA-N 1 0 251.286 -1.675 20 30 CAEDRO C#CCN1CCN(C(=O)CN2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001473557363 892419978 /nfs/dbraw/zinc/41/99/78/892419978.db2.gz XUHNUBKYUMEITQ-KBPBESRZSA-N 1 0 295.383 -1.561 20 30 CAEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001473643694 892423170 /nfs/dbraw/zinc/42/31/70/892423170.db2.gz VEWKYTSEUKBGHG-YIZRAAEISA-N 1 0 269.301 -1.377 20 30 CAEDRO CN(CCO)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001475669336 892446682 /nfs/dbraw/zinc/44/66/82/892446682.db2.gz RSDNBDFZKRZUFN-JTQLQIEISA-N 1 0 292.361 -2.031 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC001478734233 892464311 /nfs/dbraw/zinc/46/43/11/892464311.db2.gz ASYDHFHKROTZDV-NSHDSACASA-N 1 0 282.344 -1.163 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001479371217 892474641 /nfs/dbraw/zinc/47/46/41/892474641.db2.gz YNCCUNSOHQIHMZ-MGCOHNPYSA-N 1 0 290.327 -1.505 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001479416156 892475963 /nfs/dbraw/zinc/47/59/63/892475963.db2.gz CZWHCFOONZRUCM-MGCOHNPYSA-N 1 0 278.312 -1.344 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cnon2)C1 ZINC001479402640 892476237 /nfs/dbraw/zinc/47/62/37/892476237.db2.gz HVIJRBISBXCJMQ-KYZUINATSA-N 1 0 292.299 -1.193 20 30 CAEDRO C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001479650497 892478221 /nfs/dbraw/zinc/47/82/21/892478221.db2.gz PXEKGVHOXOQMJK-LBPRGKRZSA-N 1 0 292.343 -1.408 20 30 CAEDRO C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001479658722 892479683 /nfs/dbraw/zinc/47/96/83/892479683.db2.gz CZEZEEDDPNXAKY-RYUDHWBXSA-N 1 0 294.355 -1.414 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CNC(C)=O)C1 ZINC001479752386 892481929 /nfs/dbraw/zinc/48/19/29/892481929.db2.gz SNATYPKDUICROQ-UHFFFAOYSA-N 1 0 296.371 -1.091 20 30 CAEDRO CC#CCN1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001479922126 892486323 /nfs/dbraw/zinc/48/63/23/892486323.db2.gz QZKVVDOEZHPWPA-UHFFFAOYSA-N 1 0 266.345 -1.381 20 30 CAEDRO COCC#CC[NH2+][C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001480022039 892495626 /nfs/dbraw/zinc/49/56/26/892495626.db2.gz UUDAVFHLKNSWCR-LBPRGKRZSA-N 1 0 292.343 -1.193 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001480107038 892497714 /nfs/dbraw/zinc/49/77/14/892497714.db2.gz YXMHGAYYDWMGET-WDEREUQCSA-N 1 0 294.355 -1.242 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480045797 892498211 /nfs/dbraw/zinc/49/82/11/892498211.db2.gz ZFUCNKFGVKJIJV-VIFPVBQESA-N 1 0 266.301 -2.295 20 30 CAEDRO Cn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001480104303 892498653 /nfs/dbraw/zinc/49/86/53/892498653.db2.gz IBPCWYMYSOCUGW-NSHDSACASA-N 1 0 290.327 -1.136 20 30 CAEDRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480104323 892498902 /nfs/dbraw/zinc/49/89/02/892498902.db2.gz NEZSHKXYKNSCJJ-VIFPVBQESA-N 1 0 254.290 -1.537 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC001480137023 892500127 /nfs/dbraw/zinc/50/01/27/892500127.db2.gz VZCORIPPMXVALH-MGCOHNPYSA-N 1 0 290.327 -1.585 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001480154972 892503445 /nfs/dbraw/zinc/50/34/45/892503445.db2.gz DWXAWPIGHGDFJB-KWBADKCTSA-N 1 0 298.318 -1.008 20 30 CAEDRO Cn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001480203166 892503456 /nfs/dbraw/zinc/50/34/56/892503456.db2.gz MIHLSHBOWRKXOP-DTORHVGOSA-N 1 0 291.315 -1.695 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001480154971 892504443 /nfs/dbraw/zinc/50/44/43/892504443.db2.gz DWXAWPIGHGDFJB-GIPNMCIBSA-N 1 0 298.318 -1.008 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001480192446 892504662 /nfs/dbraw/zinc/50/46/62/892504662.db2.gz UOFYOQWKODEFSA-JLLWLGSASA-N 1 0 294.355 -1.503 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001480203299 892505098 /nfs/dbraw/zinc/50/50/98/892505098.db2.gz JPAAJCORNUQEDB-UTINFBMNSA-N 1 0 295.299 -1.472 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001480211969 892506832 /nfs/dbraw/zinc/50/68/32/892506832.db2.gz UOQQBEHOYVKQGN-OCAPTIKFSA-N 1 0 277.288 -1.705 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001480219164 892506892 /nfs/dbraw/zinc/50/68/92/892506892.db2.gz VUCOPSWHXJFVDX-OUAUKWLOSA-N 1 0 294.355 -1.339 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001480225285 892507099 /nfs/dbraw/zinc/50/70/99/892507099.db2.gz UOGCDBNTOYNTNW-PHIMTYICSA-N 1 0 289.339 -1.062 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001480219163 892509123 /nfs/dbraw/zinc/50/91/23/892509123.db2.gz VUCOPSWHXJFVDX-AXFHLTTASA-N 1 0 294.355 -1.339 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CNC(C)=O ZINC001480415077 892511021 /nfs/dbraw/zinc/51/10/21/892511021.db2.gz DSVZEQVURHAHDL-UWVGGRQHSA-N 1 0 282.344 -1.645 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001480429488 892513557 /nfs/dbraw/zinc/51/35/57/892513557.db2.gz TVJAQHAXCKCFCZ-QWRGUYRKSA-N 1 0 283.328 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001480429489 892514452 /nfs/dbraw/zinc/51/44/52/892514452.db2.gz TVJAQHAXCKCFCZ-WDEREUQCSA-N 1 0 283.328 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CS(C)(=O)=O ZINC001480434494 892514615 /nfs/dbraw/zinc/51/46/15/892514615.db2.gz WCRASRTVXOWQMT-SECBINFHSA-N 1 0 289.357 -2.125 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccnn1C ZINC001480434645 892515770 /nfs/dbraw/zinc/51/57/70/892515770.db2.gz NFMAPAABYAXKLW-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C[C@@H](CNC(=O)c1ncn(C)n1)[NH2+]CC(=O)NCC#N ZINC001480456554 892517082 /nfs/dbraw/zinc/51/70/82/892517082.db2.gz SHGXPBDTYOPMCJ-QMMMGPOBSA-N 1 0 279.304 -1.837 20 30 CAEDRO C[C@H](CNC(=O)c1ncn(C)n1)[NH2+]CC(=O)NCC#N ZINC001480456553 892517915 /nfs/dbraw/zinc/51/79/15/892517915.db2.gz SHGXPBDTYOPMCJ-MRVPVSSYSA-N 1 0 279.304 -1.837 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC(N)=O ZINC001480440935 892517953 /nfs/dbraw/zinc/51/79/53/892517953.db2.gz ZCFMWWVSWRSZDP-MRVPVSSYSA-N 1 0 256.306 -1.742 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC1OCCCO1 ZINC001480451160 892518083 /nfs/dbraw/zinc/51/80/83/892518083.db2.gz QHMXHZCSMUDUQS-NSHDSACASA-N 1 0 297.355 -1.017 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC(N)=O ZINC001480438649 892519790 /nfs/dbraw/zinc/51/97/90/892519790.db2.gz JIDWOABHBIPPKA-RKDXNWHRSA-N 1 0 268.317 -1.906 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC(N)=O ZINC001480438642 892519860 /nfs/dbraw/zinc/51/98/60/892519860.db2.gz JIDWOABHBIPPKA-BDAKNGLRSA-N 1 0 268.317 -1.906 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001480477007 892521197 /nfs/dbraw/zinc/52/11/97/892521197.db2.gz BAVRPIICMYTPAV-YUMQZZPRSA-N 1 0 252.274 -1.688 20 30 CAEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001480488172 892521212 /nfs/dbraw/zinc/52/12/12/892521212.db2.gz FNYJVOUVYULOJG-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001480488171 892521309 /nfs/dbraw/zinc/52/13/09/892521309.db2.gz FNYJVOUVYULOJG-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001480459182 892521385 /nfs/dbraw/zinc/52/13/85/892521385.db2.gz KGZJPNIZDQLRFE-LLVKDONJSA-N 1 0 291.355 -1.194 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)Cn1ncnn1 ZINC001480461595 892521468 /nfs/dbraw/zinc/52/14/68/892521468.db2.gz MPHKDPVDFBIVFM-JTQLQIEISA-N 1 0 266.305 -1.583 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001480464315 892521519 /nfs/dbraw/zinc/52/15/19/892521519.db2.gz RNGNPTGKBNRCCF-MRVPVSSYSA-N 1 0 264.289 -1.896 20 30 CAEDRO C[C@@H](CNC(=O)c1cnc[nH]c1=O)[NH2+]CC(=O)NCC#N ZINC001480485172 892522176 /nfs/dbraw/zinc/52/21/76/892522176.db2.gz ZZBPUSMFORSGOP-QMMMGPOBSA-N 1 0 292.299 -1.470 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C#CC1CC1 ZINC001480458532 892523089 /nfs/dbraw/zinc/52/30/89/892523089.db2.gz XZMVFSVBKDWRKJ-VIFPVBQESA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1[nH]nnc1C ZINC001480515246 892524935 /nfs/dbraw/zinc/52/49/35/892524935.db2.gz RYRLQKLZQXACMB-MRVPVSSYSA-N 1 0 278.316 -1.430 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001480519008 892526974 /nfs/dbraw/zinc/52/69/74/892526974.db2.gz UKCMTMSJKVCQAQ-MEWQQHAOSA-N 1 0 279.340 -1.278 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001480517009 892527476 /nfs/dbraw/zinc/52/74/76/892527476.db2.gz DBVKIAFIQCRQNB-SECBINFHSA-N 1 0 293.327 -1.417 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001480549504 892528625 /nfs/dbraw/zinc/52/86/25/892528625.db2.gz VSKKJKTZACNUQT-JTQLQIEISA-N 1 0 292.339 -1.185 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001480547655 892530731 /nfs/dbraw/zinc/53/07/31/892530731.db2.gz CNLGYEVUGOHIFC-ONGXEEELSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001480542049 892530906 /nfs/dbraw/zinc/53/09/06/892530906.db2.gz JDYFEAJARFAFQM-JTQLQIEISA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001480544007 892531048 /nfs/dbraw/zinc/53/10/48/892531048.db2.gz OKAMFNGCRADWNA-SFYZADRCSA-N 1 0 252.274 -1.688 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001480527149 892531532 /nfs/dbraw/zinc/53/15/32/892531532.db2.gz OTORFLWFWXETAJ-NXEZZACHSA-N 1 0 268.317 -1.588 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001480561571 892533945 /nfs/dbraw/zinc/53/39/45/892533945.db2.gz LCOFIFMNFCHABO-SNVBAGLBSA-N 1 0 277.328 -1.204 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001480589950 892534335 /nfs/dbraw/zinc/53/43/35/892534335.db2.gz ZJYRBFBJWDUASJ-SECBINFHSA-N 1 0 251.286 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCNC(N)=O ZINC001480586418 892535221 /nfs/dbraw/zinc/53/52/21/892535221.db2.gz KBAMHZCHBOTIAG-SECBINFHSA-N 1 0 283.332 -2.112 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCNC(N)=O ZINC001480586421 892535312 /nfs/dbraw/zinc/53/53/12/892535312.db2.gz KBAMHZCHBOTIAG-VIFPVBQESA-N 1 0 283.332 -2.112 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001480562510 892535400 /nfs/dbraw/zinc/53/54/00/892535400.db2.gz SWZZXDUFKUYUKW-SNVBAGLBSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)NC(C)=O ZINC001480556548 892535677 /nfs/dbraw/zinc/53/56/77/892535677.db2.gz WFOKRQDQCKNTOM-JTQLQIEISA-N 1 0 296.371 -1.255 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001480588567 892535832 /nfs/dbraw/zinc/53/58/32/892535832.db2.gz JVUNOFPJDLPNEC-NSHDSACASA-N 1 0 295.339 -1.121 20 30 CAEDRO CC(C)(C(N)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480616732 892537739 /nfs/dbraw/zinc/53/77/39/892537739.db2.gz JFGLUJVCPWWFSX-VIFPVBQESA-N 1 0 295.343 -1.672 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001480630115 892537783 /nfs/dbraw/zinc/53/77/83/892537783.db2.gz OSFNWDAGEVCXNL-LBPRGKRZSA-N 1 0 296.371 -1.137 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001480613194 892538242 /nfs/dbraw/zinc/53/82/42/892538242.db2.gz CMHLYDYHFZFCOE-JOYOIKCWSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1ccnc1 ZINC001480604923 892538480 /nfs/dbraw/zinc/53/84/80/892538480.db2.gz SPNKRYPFBMHDII-NSHDSACASA-N 1 0 277.328 -1.273 20 30 CAEDRO Cn1nncc1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480614036 892538808 /nfs/dbraw/zinc/53/88/08/892538808.db2.gz DKUJTNUXSFRBHL-VIFPVBQESA-N 1 0 291.315 -1.741 20 30 CAEDRO COC[C@H](OC)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480620237 892539018 /nfs/dbraw/zinc/53/90/18/892539018.db2.gz ZCVLABGITNFNTP-QWRGUYRKSA-N 1 0 298.343 -1.522 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001480667358 892541299 /nfs/dbraw/zinc/54/12/99/892541299.db2.gz GRLZQVKJWKGPMC-RYUDHWBXSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001480658300 892542327 /nfs/dbraw/zinc/54/23/27/892542327.db2.gz CHCMDQGLTMBIBZ-SECBINFHSA-N 1 0 266.301 -2.341 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001480794043 892544398 /nfs/dbraw/zinc/54/43/98/892544398.db2.gz UWSRKDRXVJPUJM-VIFPVBQESA-N 1 0 294.311 -1.475 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1cnon1 ZINC001480800256 892544525 /nfs/dbraw/zinc/54/45/25/892544525.db2.gz XYLZCOXFIFCOEM-SECBINFHSA-N 1 0 279.300 -1.083 20 30 CAEDRO CC#CC[N@@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001480864173 892553971 /nfs/dbraw/zinc/55/39/71/892553971.db2.gz KSAHQFNDHKQJJD-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C=CC[N@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001480866196 892555499 /nfs/dbraw/zinc/55/54/99/892555499.db2.gz WAIWYYQXPJIIJG-UHFFFAOYSA-N 1 0 266.305 -1.389 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001480911225 892558298 /nfs/dbraw/zinc/55/82/98/892558298.db2.gz WZNFQLYRZYNDQV-UHFFFAOYSA-N 1 0 299.356 -1.258 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001480920750 892561499 /nfs/dbraw/zinc/56/14/99/892561499.db2.gz XGQOZSYVGPPXLF-UHFFFAOYSA-N 1 0 288.311 -1.428 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001480923835 892563454 /nfs/dbraw/zinc/56/34/54/892563454.db2.gz FDMMTWWIZWJXQT-UHFFFAOYSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001481044657 892572669 /nfs/dbraw/zinc/57/26/69/892572669.db2.gz CGCNWVMDKLLKME-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001481044656 892574737 /nfs/dbraw/zinc/57/47/37/892574737.db2.gz CGCNWVMDKLLKME-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCO1 ZINC001481204531 892581611 /nfs/dbraw/zinc/58/16/11/892581611.db2.gz ZIKFUPUQJMVSPJ-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCO1 ZINC001481204181 892581901 /nfs/dbraw/zinc/58/19/01/892581901.db2.gz OQBAPOADKZMZTG-SNVBAGLBSA-N 1 0 268.317 -1.147 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCO1 ZINC001481204180 892582747 /nfs/dbraw/zinc/58/27/47/892582747.db2.gz OQBAPOADKZMZTG-JTQLQIEISA-N 1 0 268.317 -1.147 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CNC(=O)CC ZINC001481216397 892583220 /nfs/dbraw/zinc/58/32/20/892583220.db2.gz ZWDOBFVTXPZANE-LLVKDONJSA-N 1 0 296.371 -1.302 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC(=O)N1 ZINC001481213610 892583869 /nfs/dbraw/zinc/58/38/69/892583869.db2.gz JOAUXAAEFCEQHM-SECBINFHSA-N 1 0 281.316 -2.047 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001481215597 892583943 /nfs/dbraw/zinc/58/39/43/892583943.db2.gz LILSNUCWLCLEFC-SNVBAGLBSA-N 1 0 295.343 -1.848 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1cc[nH]n1 ZINC001481216610 892585583 /nfs/dbraw/zinc/58/55/83/892585583.db2.gz IYPWYWALYOXWMC-UHFFFAOYSA-N 1 0 278.316 -1.360 20 30 CAEDRO CCNC(=O)CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481221937 892586215 /nfs/dbraw/zinc/58/62/15/892586215.db2.gz DBAJEHBFTVJLGU-UHFFFAOYSA-N 1 0 283.332 -1.800 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CNS(=O)(=O)CC ZINC001481236733 892589370 /nfs/dbraw/zinc/58/93/70/892589370.db2.gz NZQQGJWYOLNNPG-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001481274983 892593857 /nfs/dbraw/zinc/59/38/57/892593857.db2.gz FQUNHEQPWSBRNW-AWEZNQCLSA-N 1 0 294.355 -1.548 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CCC(=O)N1 ZINC001481290951 892595306 /nfs/dbraw/zinc/59/53/06/892595306.db2.gz QKSVOTVPCZNKBK-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001481314112 892597393 /nfs/dbraw/zinc/59/73/93/892597393.db2.gz DIUXMTHPRDJTKQ-UHFFFAOYSA-N 1 0 295.339 -1.167 20 30 CAEDRO C=CC[NH+]1CCN(CCN(C)C(=O)Cn2ncnn2)CC1 ZINC001481469418 892600897 /nfs/dbraw/zinc/60/08/97/892600897.db2.gz XGNJEIJSOVNYLC-UHFFFAOYSA-N 1 0 293.375 -1.065 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001481580877 892610524 /nfs/dbraw/zinc/61/05/24/892610524.db2.gz GSPPJVFPKMBODF-LLVKDONJSA-N 1 0 280.372 -1.124 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001481628714 892614201 /nfs/dbraw/zinc/61/42/01/892614201.db2.gz ZKRZQGBPHOOXSO-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001481648421 892616026 /nfs/dbraw/zinc/61/60/26/892616026.db2.gz SEZLMQUJTDTEIL-NSHDSACASA-N 1 0 282.344 -1.400 20 30 CAEDRO C=CC[NH+]1CC(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001481648002 892617902 /nfs/dbraw/zinc/61/79/02/892617902.db2.gz JQPKEDOSLLBUDX-UHFFFAOYSA-N 1 0 290.389 -1.384 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)COC ZINC001482071317 892633383 /nfs/dbraw/zinc/63/33/83/892633383.db2.gz RSKFPGNKZJXURF-JTQLQIEISA-N 1 0 255.318 -1.276 20 30 CAEDRO CC[C@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001481820390 892626568 /nfs/dbraw/zinc/62/65/68/892626568.db2.gz DJSRSVGOCFNJKS-SECBINFHSA-N 1 0 297.359 -1.378 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CC(N)=O ZINC001481796752 892626787 /nfs/dbraw/zinc/62/67/87/892626787.db2.gz GZFDXPNWBIXXFV-VIFPVBQESA-N 1 0 268.317 -1.904 20 30 CAEDRO C#CC[NH2+][C@@H](CC)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001481814559 892627384 /nfs/dbraw/zinc/62/73/84/892627384.db2.gz YERWQAOHLSANDX-VIFPVBQESA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cnnn1C ZINC001481807248 892628479 /nfs/dbraw/zinc/62/84/79/892628479.db2.gz FMJHXSUUPKWGSY-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO CC[C@@H](CNC(=O)CC(N)=O)[NH2+]CC#CCOC ZINC001481798227 892628603 /nfs/dbraw/zinc/62/86/03/892628603.db2.gz PUUYYXSYULWUEO-JTQLQIEISA-N 1 0 255.318 -1.004 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)C(N)=O ZINC001481849832 892630158 /nfs/dbraw/zinc/63/01/58/892630158.db2.gz NXBHDPRJLFSODX-DTWKUNHWSA-N 1 0 270.333 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001482062799 892634529 /nfs/dbraw/zinc/63/45/29/892634529.db2.gz ZEJJDXKBSWYCQS-SECBINFHSA-N 1 0 266.301 -2.198 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001482101653 892636149 /nfs/dbraw/zinc/63/61/49/892636149.db2.gz OMTKQPPOSOOWRF-SNVBAGLBSA-N 1 0 275.374 -1.099 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001482116946 892636971 /nfs/dbraw/zinc/63/69/71/892636971.db2.gz UPKXMPPZSRYNGD-NSHDSACASA-N 1 0 296.371 -1.396 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001482101652 892637153 /nfs/dbraw/zinc/63/71/53/892637153.db2.gz OMTKQPPOSOOWRF-JTQLQIEISA-N 1 0 275.374 -1.099 20 30 CAEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001482116944 892637346 /nfs/dbraw/zinc/63/73/46/892637346.db2.gz UPKXMPPZSRYNGD-LLVKDONJSA-N 1 0 296.371 -1.396 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(N)=O ZINC001482139386 892637371 /nfs/dbraw/zinc/63/73/71/892637371.db2.gz UAWJPUJUWBWVNX-MRVPVSSYSA-N 1 0 254.290 -2.437 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482160632 892640225 /nfs/dbraw/zinc/64/02/25/892640225.db2.gz ITJOXSBNCRUFDS-MNOVXSKESA-N 1 0 296.371 -1.091 20 30 CAEDRO CCC(=O)NCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001482264570 892641766 /nfs/dbraw/zinc/64/17/66/892641766.db2.gz ATMMYBOCJOAASK-SNVBAGLBSA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C(N)=O)CCCC1 ZINC001482228912 892642552 /nfs/dbraw/zinc/64/25/52/892642552.db2.gz ZIYCMOPQEQDWNQ-JTQLQIEISA-N 1 0 294.355 -1.372 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCCC1 ZINC001482227877 892643107 /nfs/dbraw/zinc/64/31/07/892643107.db2.gz GNIGUUNBVCDGSX-UHFFFAOYSA-N 1 0 282.344 -1.208 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCCC1 ZINC001482228243 892643258 /nfs/dbraw/zinc/64/32/58/892643258.db2.gz OCJSRZCNYDCBKN-UHFFFAOYSA-N 1 0 281.316 -1.870 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001482279940 892645267 /nfs/dbraw/zinc/64/52/67/892645267.db2.gz OYOMVRFWKWLWBO-JTQLQIEISA-N 1 0 292.343 -1.385 20 30 CAEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001482369794 892648511 /nfs/dbraw/zinc/64/85/11/892648511.db2.gz PCYJIVSLEXHQKO-VIFPVBQESA-N 1 0 280.332 -1.001 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482329419 892648538 /nfs/dbraw/zinc/64/85/38/892648538.db2.gz BFIGUGOEDJVYII-MXWKQRLJSA-N 1 0 296.371 -1.154 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C(N)=O ZINC001482495114 892648567 /nfs/dbraw/zinc/64/85/67/892648567.db2.gz PYDCFBFXJMMILT-QWRGUYRKSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001482337069 892648741 /nfs/dbraw/zinc/64/87/41/892648741.db2.gz MKQRULHMKQTMQT-SNVBAGLBSA-N 1 0 292.339 -1.233 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001482418729 892649069 /nfs/dbraw/zinc/64/90/69/892649069.db2.gz WJQHQAXOOUAMDO-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)CC(N)=O)C(C)C ZINC001482517117 892649080 /nfs/dbraw/zinc/64/90/80/892649080.db2.gz GTYFOXYRZHLFJO-WDEREUQCSA-N 1 0 296.371 -1.270 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001482363142 892650340 /nfs/dbraw/zinc/65/03/40/892650340.db2.gz VFWMQSGAZUYWNL-JTQLQIEISA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)Cn1ncn(C)c1=O)C(C)C ZINC001482539807 892652071 /nfs/dbraw/zinc/65/20/71/892652071.db2.gz TXQGAYGYPSSMRY-LLVKDONJSA-N 1 0 279.344 -1.055 20 30 CAEDRO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CC#CCOC ZINC001482600114 892652200 /nfs/dbraw/zinc/65/22/00/892652200.db2.gz CUWKQWNTOLSCIN-UHFFFAOYSA-N 1 0 284.360 -1.045 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)Cn1ncn(C)c1=O)C(C)C ZINC001482539809 892652244 /nfs/dbraw/zinc/65/22/44/892652244.db2.gz TXQGAYGYPSSMRY-NSHDSACASA-N 1 0 279.344 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001482688065 892655798 /nfs/dbraw/zinc/65/57/98/892655798.db2.gz QFYVFOJNOYXKQK-UWVGGRQHSA-N 1 0 280.328 -1.904 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001482689475 892657948 /nfs/dbraw/zinc/65/79/48/892657948.db2.gz ZUNFWUULHQMKTP-QWRGUYRKSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)F ZINC001482702560 892660270 /nfs/dbraw/zinc/66/02/70/892660270.db2.gz LDRAZMNSYNLKPJ-VIFPVBQESA-N 1 0 273.308 -1.449 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001482705820 892660421 /nfs/dbraw/zinc/66/04/21/892660421.db2.gz OHDYJXANFSKQGC-MNOVXSKESA-N 1 0 283.328 -2.019 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001482705289 892660549 /nfs/dbraw/zinc/66/05/49/892660549.db2.gz RPXDIAVNGVJJIZ-SNVBAGLBSA-N 1 0 254.286 -1.035 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CSCC#N ZINC001482710435 892662895 /nfs/dbraw/zinc/66/28/95/892662895.db2.gz YMPUFKRHIKLNDA-QMMMGPOBSA-N 1 0 274.346 -1.944 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001482710455 892662921 /nfs/dbraw/zinc/66/29/21/892662921.db2.gz YQRDZILTEQYKFF-VIFPVBQESA-N 1 0 281.316 -1.608 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001482710224 892664154 /nfs/dbraw/zinc/66/41/54/892664154.db2.gz VBKDGWJVVCTZBF-QWRGUYRKSA-N 1 0 298.343 -1.738 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)OC ZINC001482710786 892667715 /nfs/dbraw/zinc/66/77/15/892667715.db2.gz GJMOESDHESSMSY-SECBINFHSA-N 1 0 257.290 -1.568 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001482717407 892671012 /nfs/dbraw/zinc/67/10/12/892671012.db2.gz BUQWAQBWQLHOOA-VXGBXAGGSA-N 1 0 271.361 -1.040 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)/C(C)=C/C ZINC001482718625 892671202 /nfs/dbraw/zinc/67/12/02/892671202.db2.gz JWVGDUQDBMRGQV-IGLBNKAOSA-N 1 0 267.329 -1.231 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001482716818 892671739 /nfs/dbraw/zinc/67/17/39/892671739.db2.gz QZJCYXFHUYGZFG-QWRGUYRKSA-N 1 0 282.344 -1.165 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CC(N)=O ZINC001482715363 892671785 /nfs/dbraw/zinc/67/17/85/892671785.db2.gz JQDNBLBAMUYFSK-IUCAKERBSA-N 1 0 284.316 -2.934 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001482717404 892671821 /nfs/dbraw/zinc/67/18/21/892671821.db2.gz BUQWAQBWQLHOOA-NEPJUHHUSA-N 1 0 271.361 -1.040 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001482718331 892671837 /nfs/dbraw/zinc/67/18/37/892671837.db2.gz METPZVPCVFXWFN-MEWQQHAOSA-N 1 0 294.355 -1.261 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001482716816 892671900 /nfs/dbraw/zinc/67/19/00/892671900.db2.gz QZJCYXFHUYGZFG-GHMZBOCLSA-N 1 0 282.344 -1.165 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001482723563 892673032 /nfs/dbraw/zinc/67/30/32/892673032.db2.gz VFBZTMPDJHIMKC-NSHDSACASA-N 1 0 257.334 -1.429 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001482722376 892673173 /nfs/dbraw/zinc/67/31/73/892673173.db2.gz LZIQZOPAXUGUKL-LBPRGKRZSA-N 1 0 271.361 -1.039 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)[nH]1 ZINC001482722625 892674042 /nfs/dbraw/zinc/67/40/42/892674042.db2.gz NTSMUWFYCCYQTI-VHSXEESVSA-N 1 0 291.311 -1.545 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@H](O)C[NH2+]CCCO)c[nH]1 ZINC001482721319 892674571 /nfs/dbraw/zinc/67/45/71/892674571.db2.gz JUTJZQSHWMDDMO-LLVKDONJSA-N 1 0 266.301 -1.051 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CCCO)c[nH]1 ZINC001482721324 892674808 /nfs/dbraw/zinc/67/48/08/892674808.db2.gz JUTJZQSHWMDDMO-NSHDSACASA-N 1 0 266.301 -1.051 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001482729801 892675955 /nfs/dbraw/zinc/67/59/55/892675955.db2.gz QQYDBXSNTXPWIU-ZJUUUORDSA-N 1 0 271.317 -2.163 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001482729411 892676137 /nfs/dbraw/zinc/67/61/37/892676137.db2.gz ZPFSMCUIPRVYQM-VHSXEESVSA-N 1 0 255.318 -1.414 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001482728978 892676536 /nfs/dbraw/zinc/67/65/36/892676536.db2.gz KAYZIYLGPBASMH-GHMZBOCLSA-N 1 0 256.302 -1.508 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001482729409 892676587 /nfs/dbraw/zinc/67/65/87/892676587.db2.gz ZPFSMCUIPRVYQM-NXEZZACHSA-N 1 0 255.318 -1.414 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001482727246 892676873 /nfs/dbraw/zinc/67/68/73/892676873.db2.gz NANQKXDEPGPCBI-BDAKNGLRSA-N 1 0 289.282 -1.542 20 30 CAEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cn1ncnn1 ZINC001482730328 892677004 /nfs/dbraw/zinc/67/70/04/892677004.db2.gz WZHRCTDDJRLKLE-JTQLQIEISA-N 1 0 268.321 -1.294 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001482729800 892677007 /nfs/dbraw/zinc/67/70/07/892677007.db2.gz QQYDBXSNTXPWIU-VHSXEESVSA-N 1 0 271.317 -2.163 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001482728999 892677162 /nfs/dbraw/zinc/67/71/62/892677162.db2.gz OEPHNWIPKXJXJJ-SECBINFHSA-N 1 0 253.306 -1.092 20 30 CAEDRO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C#CC2CC2)C1=O ZINC001482728984 892677634 /nfs/dbraw/zinc/67/76/34/892677634.db2.gz OANQFHBUYHBZEW-VXGBXAGGSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001482730737 892679207 /nfs/dbraw/zinc/67/92/07/892679207.db2.gz GDFFZLZPXIVELA-VIFPVBQESA-N 1 0 294.315 -2.533 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001482734512 892679338 /nfs/dbraw/zinc/67/93/38/892679338.db2.gz KQGCIHGPWJSBOD-VXGBXAGGSA-N 1 0 297.355 -1.819 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001482734506 892679959 /nfs/dbraw/zinc/67/99/59/892679959.db2.gz KQGCIHGPWJSBOD-NEPJUHHUSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001482736632 892679984 /nfs/dbraw/zinc/67/99/84/892679984.db2.gz YKURAGORLCGFNA-MNOVXSKESA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN(C)C(=O)COC ZINC001482733159 892680071 /nfs/dbraw/zinc/68/00/71/892680071.db2.gz BPENSDHURRCJCT-JTQLQIEISA-N 1 0 271.317 -2.209 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001482737353 892680598 /nfs/dbraw/zinc/68/05/98/892680598.db2.gz KUDYAOGLZNNRRA-MNOVXSKESA-N 1 0 267.329 -1.397 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN(C)C(=O)COC ZINC001482735565 892680765 /nfs/dbraw/zinc/68/07/65/892680765.db2.gz PEDFGRARKDKSCM-NSHDSACASA-N 1 0 285.344 -1.819 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001482730412 892680826 /nfs/dbraw/zinc/68/08/26/892680826.db2.gz YMHNSTOALZSCPY-JTQLQIEISA-N 1 0 277.328 -1.144 20 30 CAEDRO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC#N)CC[N@@H+]1C ZINC001482730733 892680933 /nfs/dbraw/zinc/68/09/33/892680933.db2.gz GAVDUOKLHBFZKB-OUAUKWLOSA-N 1 0 254.334 -1.083 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001482739129 892682203 /nfs/dbraw/zinc/68/22/03/892682203.db2.gz OZXSFCSOUHVZKB-SNVBAGLBSA-N 1 0 278.312 -1.273 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001482740599 892682580 /nfs/dbraw/zinc/68/25/80/892682580.db2.gz BNRLVSVWBZCVMS-GXFFZTMASA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001482739092 892682636 /nfs/dbraw/zinc/68/26/36/892682636.db2.gz GCNLXWHDYZLKGP-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001482739128 892682787 /nfs/dbraw/zinc/68/27/87/892682787.db2.gz OZXSFCSOUHVZKB-JTQLQIEISA-N 1 0 278.312 -1.273 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccsn1 ZINC001482741746 892682871 /nfs/dbraw/zinc/68/28/71/892682871.db2.gz LZPBTEBJACCIHC-VIFPVBQESA-N 1 0 296.352 -1.427 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1=O ZINC001482737905 892682997 /nfs/dbraw/zinc/68/29/97/892682997.db2.gz VVGTULXYDPAGNC-SNVBAGLBSA-N 1 0 271.317 -1.902 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001482740133 892683055 /nfs/dbraw/zinc/68/30/55/892683055.db2.gz QDIQZXGZVSDJPU-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001482740601 892683113 /nfs/dbraw/zinc/68/31/13/892683113.db2.gz BNRLVSVWBZCVMS-MFKMUULPSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001482738153 892683378 /nfs/dbraw/zinc/68/33/78/892683378.db2.gz ALFBWVVXLKXJBF-ZWNOBZJWSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001482743375 892683655 /nfs/dbraw/zinc/68/36/55/892683655.db2.gz CHWNDMXTPQYIDB-VIFPVBQESA-N 1 0 269.305 -2.166 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001482748070 892686597 /nfs/dbraw/zinc/68/65/97/892686597.db2.gz SXUVDWFDWWZOOA-MNOVXSKESA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnco1 ZINC001482753743 892688263 /nfs/dbraw/zinc/68/82/63/892688263.db2.gz OKKOKJMSMGSHLO-NXEZZACHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](F)C(C)C ZINC001482758885 892688366 /nfs/dbraw/zinc/68/83/66/892688366.db2.gz LNRRENPHENOGAT-JQWIXIFHSA-N 1 0 287.335 -1.203 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001482755784 892688576 /nfs/dbraw/zinc/68/85/76/892688576.db2.gz KPDXTXDXKACGHF-LLVKDONJSA-N 1 0 284.360 -1.939 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001482756430 892688696 /nfs/dbraw/zinc/68/86/96/892688696.db2.gz RNABHJGPHVJESM-SECBINFHSA-N 1 0 296.331 -1.904 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnco1 ZINC001482753744 892689075 /nfs/dbraw/zinc/68/90/75/892689075.db2.gz OKKOKJMSMGSHLO-UWVGGRQHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnco1 ZINC001482753746 892689630 /nfs/dbraw/zinc/68/96/30/892689630.db2.gz OKKOKJMSMGSHLO-VHSXEESVSA-N 1 0 294.311 -1.507 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001482755785 892689848 /nfs/dbraw/zinc/68/98/48/892689848.db2.gz KPDXTXDXKACGHF-NSHDSACASA-N 1 0 284.360 -1.939 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CCn1ccnc1 ZINC001482754041 892689868 /nfs/dbraw/zinc/68/98/68/892689868.db2.gz QGBRCHRGSMFFHI-ZDUSSCGKSA-N 1 0 294.355 -1.010 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001482763914 892691033 /nfs/dbraw/zinc/69/10/33/892691033.db2.gz FUFKFVZJWUNQQS-MRVPVSSYSA-N 1 0 252.274 -1.561 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001482765867 892692476 /nfs/dbraw/zinc/69/24/76/892692476.db2.gz DIIQUAGZLAYYMV-KXUCPTDWSA-N 1 0 271.317 -1.728 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(N)=O ZINC001482767818 892694115 /nfs/dbraw/zinc/69/41/15/892694115.db2.gz VMLQSNAXARFSJB-SSDOTTSWSA-N 1 0 258.278 -3.159 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001482770406 892694155 /nfs/dbraw/zinc/69/41/55/892694155.db2.gz RCPASDPKSAJXHQ-NSHDSACASA-N 1 0 265.317 -1.552 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001482768637 892694202 /nfs/dbraw/zinc/69/42/02/892694202.db2.gz WNNRDXWMVGUCMD-ZWNOBZJWSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccnnc1 ZINC001482771714 892694512 /nfs/dbraw/zinc/69/45/12/892694512.db2.gz KWXWFTUEOCDNRL-LLVKDONJSA-N 1 0 291.311 -2.094 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001482766822 892694702 /nfs/dbraw/zinc/69/47/02/892694702.db2.gz JFAFQQUNJUMRHO-NSHDSACASA-N 1 0 294.355 -1.117 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001482768634 892695044 /nfs/dbraw/zinc/69/50/44/892695044.db2.gz WNNRDXWMVGUCMD-GWCFXTLKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001482769513 892695542 /nfs/dbraw/zinc/69/55/42/892695542.db2.gz HALGFSBQHXFBNK-WDEREUQCSA-N 1 0 294.359 -1.122 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001482774387 892695784 /nfs/dbraw/zinc/69/57/84/892695784.db2.gz ACZSHIYWEZXKFC-JQWIXIFHSA-N 1 0 288.369 -1.346 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1cn[nH]n1 ZINC001482768970 892696131 /nfs/dbraw/zinc/69/61/31/892696131.db2.gz CKLDIWSRFIXPND-JTQLQIEISA-N 1 0 253.306 -1.010 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001482778278 892698026 /nfs/dbraw/zinc/69/80/26/892698026.db2.gz LLVSPZGJYMDNTF-BDAKNGLRSA-N 1 0 296.331 -1.824 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001482775206 892698945 /nfs/dbraw/zinc/69/89/45/892698945.db2.gz LJLCNIZMZXMRBU-SECBINFHSA-N 1 0 253.302 -1.788 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001482776765 892699094 /nfs/dbraw/zinc/69/90/94/892699094.db2.gz HAWKHBHMHZZEHJ-SDDRHHMPSA-N 1 0 294.355 -1.261 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001482776764 892699481 /nfs/dbraw/zinc/69/94/81/892699481.db2.gz HAWKHBHMHZZEHJ-GRYCIOLGSA-N 1 0 294.355 -1.261 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccncn1 ZINC001482779935 892700890 /nfs/dbraw/zinc/70/08/90/892700890.db2.gz TXPGLIQZWBTIQJ-SNVBAGLBSA-N 1 0 291.311 -2.094 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001482793049 892705209 /nfs/dbraw/zinc/70/52/09/892705209.db2.gz MRZHZGLMOXQTPY-VHSXEESVSA-N 1 0 289.357 -2.232 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001482792500 892705468 /nfs/dbraw/zinc/70/54/68/892705468.db2.gz ZUHUFMLHDXTUFS-VIFPVBQESA-N 1 0 294.311 -1.811 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CCC)NC(N)=O ZINC001482787462 892705518 /nfs/dbraw/zinc/70/55/18/892705518.db2.gz HWMMSNDMJDMBDL-NXEZZACHSA-N 1 0 270.333 -1.477 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001482792498 892705536 /nfs/dbraw/zinc/70/55/36/892705536.db2.gz ZUHUFMLHDXTUFS-SECBINFHSA-N 1 0 294.311 -1.811 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001482793048 892705953 /nfs/dbraw/zinc/70/59/53/892705953.db2.gz MRZHZGLMOXQTPY-UWVGGRQHSA-N 1 0 289.357 -2.232 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001482792092 892706370 /nfs/dbraw/zinc/70/63/70/892706370.db2.gz DEHZLGHSEQTDKA-SECBINFHSA-N 1 0 269.301 -1.612 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]cc1C ZINC001482790969 892706581 /nfs/dbraw/zinc/70/65/81/892706581.db2.gz MUAXPEJODKOEOQ-NSHDSACASA-N 1 0 292.339 -1.247 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c(OC)ncnc1OC ZINC001482799524 892707846 /nfs/dbraw/zinc/70/78/46/892707846.db2.gz PTEZECQYGRTBLH-SECBINFHSA-N 1 0 294.311 -1.193 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001482799162 892708377 /nfs/dbraw/zinc/70/83/77/892708377.db2.gz NMUXFZSAWJGHEM-SECBINFHSA-N 1 0 268.317 -1.410 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)CC ZINC001482799562 892709292 /nfs/dbraw/zinc/70/92/92/892709292.db2.gz QEOOLLHJANAZHD-JTQLQIEISA-N 1 0 276.358 -1.489 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001482798248 892709609 /nfs/dbraw/zinc/70/96/09/892709609.db2.gz YNKDGWGZFLSTIG-RYUDHWBXSA-N 1 0 271.361 -1.040 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001482795792 892710001 /nfs/dbraw/zinc/71/00/01/892710001.db2.gz WNZDGZLEYNBBCW-UWVGGRQHSA-N 1 0 298.343 -1.383 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001482861718 892711977 /nfs/dbraw/zinc/71/19/77/892711977.db2.gz YKUBWJJPYRKLEJ-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H](C)C#N ZINC001482913699 892714689 /nfs/dbraw/zinc/71/46/89/892714689.db2.gz AYHNTRBDDKEZJO-QMMMGPOBSA-N 1 0 269.305 -1.221 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)Cn1cnc(C(N)=O)n1 ZINC001482923990 892715015 /nfs/dbraw/zinc/71/50/15/892715015.db2.gz BKSMFXIFGCCGKU-UHFFFAOYSA-N 1 0 278.316 -1.552 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]CC(=O)NC(N)=O ZINC001482924075 892715238 /nfs/dbraw/zinc/71/52/38/892715238.db2.gz KTCOQQHSEQVBKY-JTQLQIEISA-N 1 0 298.343 -1.342 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H](C)C#N ZINC001482913697 892715414 /nfs/dbraw/zinc/71/54/14/892715414.db2.gz AYHNTRBDDKEZJO-MRVPVSSYSA-N 1 0 269.305 -1.221 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C1(C(N)=O)CC1 ZINC001482869081 892715585 /nfs/dbraw/zinc/71/55/85/892715585.db2.gz SUBKDGCQNUXSNW-VIFPVBQESA-N 1 0 295.343 -1.624 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CNC(=O)N1 ZINC001482947931 892717417 /nfs/dbraw/zinc/71/74/17/892717417.db2.gz OHABYJVHUGMYKV-VIFPVBQESA-N 1 0 296.331 -2.254 20 30 CAEDRO CO[C@H](C)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001482988160 892717976 /nfs/dbraw/zinc/71/79/76/892717976.db2.gz FENKJZZVHSIPFA-UMBAGQNISA-N 1 0 268.317 -1.077 20 30 CAEDRO COCC#CC[NH2+]C/C=C/CNC(=O)Cn1cnnn1 ZINC001482982972 892718515 /nfs/dbraw/zinc/71/85/15/892718515.db2.gz TZLPZINJAFHEMX-NSCUHMNNSA-N 1 0 278.316 -1.415 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCNC1=O ZINC001482944236 892718645 /nfs/dbraw/zinc/71/86/45/892718645.db2.gz YOGWCRKNSYVVNO-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CNC(=O)N1 ZINC001482947917 892719232 /nfs/dbraw/zinc/71/92/32/892719232.db2.gz OHABYJVHUGMYKV-SECBINFHSA-N 1 0 296.331 -2.254 20 30 CAEDRO CO[C@H](C)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001482988159 892719904 /nfs/dbraw/zinc/71/99/04/892719904.db2.gz FENKJZZVHSIPFA-HMDXOVGESA-N 1 0 268.317 -1.077 20 30 CAEDRO Cn1cnc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)n1 ZINC001483003506 892721266 /nfs/dbraw/zinc/72/12/66/892721266.db2.gz IDIQYLUFUFREHF-NSCUHMNNSA-N 1 0 291.315 -1.670 20 30 CAEDRO Cn1cnc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)c1 ZINC001482996715 892723051 /nfs/dbraw/zinc/72/30/51/892723051.db2.gz HAIRVMMTAOQDMH-IHWYPQMZSA-N 1 0 290.327 -1.065 20 30 CAEDRO CC(C)(C(N)=O)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483020967 892723275 /nfs/dbraw/zinc/72/32/75/892723275.db2.gz NFYAIHYQKVOUJP-ARJAWSKDSA-N 1 0 295.343 -1.600 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC=CCNC(=O)c1cn[nH]n1 ZINC001483031885 892724899 /nfs/dbraw/zinc/72/48/99/892724899.db2.gz MCDKVYFARJYOSR-UPHRSURJSA-N 1 0 277.288 -1.680 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC=CCNC(=O)c1nnc[nH]1 ZINC001483069762 892726074 /nfs/dbraw/zinc/72/60/74/892726074.db2.gz ARXNAENOMKSGRQ-ARJAWSKDSA-N 1 0 278.316 -1.018 20 30 CAEDRO C=CC[NH2+]C/C=C/CNC(=O)CS(=O)(=O)NC ZINC001483095920 892728645 /nfs/dbraw/zinc/72/86/45/892728645.db2.gz GUQWGKPLCKUMPI-SNAWJCMRSA-N 1 0 261.347 -1.016 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001483108160 892729193 /nfs/dbraw/zinc/72/91/93/892729193.db2.gz YOFGXOQYEKFJGV-NXEZZACHSA-N 1 0 295.347 -1.542 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001483096141 892729562 /nfs/dbraw/zinc/72/95/62/892729562.db2.gz JGTBGOBNELWCKE-FSIBCCDJSA-N 1 0 271.342 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnon1 ZINC001483073575 892729672 /nfs/dbraw/zinc/72/96/72/892729672.db2.gz FLOPVVMDLLGBFC-ARJAWSKDSA-N 1 0 277.284 -1.305 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCOC1 ZINC001483111701 892729766 /nfs/dbraw/zinc/72/97/66/892729766.db2.gz CVLMPFZBPXQSNB-NXEZZACHSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001483113181 892730158 /nfs/dbraw/zinc/73/01/58/892730158.db2.gz QYJILFBCQPOKJX-SNVBAGLBSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnon1 ZINC001483073576 892730056 /nfs/dbraw/zinc/73/00/56/892730056.db2.gz FLOPVVMDLLGBFC-ONEGZZNKSA-N 1 0 277.284 -1.305 20 30 CAEDRO C=CC[NH2+]C/C=C\CNC(=O)CS(=O)(=O)NC ZINC001483095919 892730242 /nfs/dbraw/zinc/73/02/42/892730242.db2.gz GUQWGKPLCKUMPI-PLNGDYQASA-N 1 0 261.347 -1.016 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCOC1 ZINC001483111702 892730544 /nfs/dbraw/zinc/73/05/44/892730544.db2.gz CVLMPFZBPXQSNB-ZJUUUORDSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001483124655 892731703 /nfs/dbraw/zinc/73/17/03/892731703.db2.gz OUKNDKGKKXSZLN-RKDXNWHRSA-N 1 0 282.300 -2.062 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001483118555 892731748 /nfs/dbraw/zinc/73/17/48/892731748.db2.gz XWIPVPSZOIFCAA-VXGBXAGGSA-N 1 0 298.387 -1.287 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001483127567 892732150 /nfs/dbraw/zinc/73/21/50/892732150.db2.gz FPNYVCDRBDDHTM-GHMZBOCLSA-N 1 0 280.328 -1.241 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001483126510 892732582 /nfs/dbraw/zinc/73/25/82/892732582.db2.gz SGYPHQUOUVYRGC-ZJUUUORDSA-N 1 0 292.343 -1.339 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001483138400 892732803 /nfs/dbraw/zinc/73/28/03/892732803.db2.gz LVOOKVVNLVSIFV-SECBINFHSA-N 1 0 284.360 -1.106 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001483123573 892733485 /nfs/dbraw/zinc/73/34/85/892733485.db2.gz HNJOSCIBABMSQX-BBBLOLIVSA-N 1 0 299.375 -1.172 20 30 CAEDRO CCNC(=O)CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001483121455 892734010 /nfs/dbraw/zinc/73/40/10/892734010.db2.gz USFQPCSQVXKSJJ-SECBINFHSA-N 1 0 283.332 -1.753 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCNC1=O ZINC001483139122 892735433 /nfs/dbraw/zinc/73/54/33/892735433.db2.gz ZQJBOUXTUNDIME-NXEZZACHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCNC1=O ZINC001483139123 892735944 /nfs/dbraw/zinc/73/59/44/892735944.db2.gz ZQJBOUXTUNDIME-ZJUUUORDSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001483140437 892735973 /nfs/dbraw/zinc/73/59/73/892735973.db2.gz XJIWTWJQGWZELL-GHMZBOCLSA-N 1 0 294.355 -1.501 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001483141992 892736060 /nfs/dbraw/zinc/73/60/60/892736060.db2.gz LCIDDQKIVQOZQW-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCO1 ZINC001483206674 892739102 /nfs/dbraw/zinc/73/91/02/892739102.db2.gz LKPHHGMZRLRRRO-UWVGGRQHSA-N 1 0 268.317 -1.101 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CNC(C)=O ZINC001483204732 892739684 /nfs/dbraw/zinc/73/96/84/892739684.db2.gz KPDJRAIKVMNRIS-VHSXEESVSA-N 1 0 284.360 -1.093 20 30 CAEDRO CNC(=O)C1(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001483175599 892739769 /nfs/dbraw/zinc/73/97/69/892739769.db2.gz XOZKBOMJAMRNAG-SECBINFHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cccnn1 ZINC001483177459 892739961 /nfs/dbraw/zinc/73/99/61/892739961.db2.gz ABPDTBRCXKYXIW-SECBINFHSA-N 1 0 276.300 -1.176 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001483184896 892740312 /nfs/dbraw/zinc/74/03/12/892740312.db2.gz SFSGZIWULCXVNX-NXEZZACHSA-N 1 0 293.331 -2.095 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccn(C)n1 ZINC001483225983 892743206 /nfs/dbraw/zinc/74/32/06/892743206.db2.gz BZCNCDRFJDWUSR-JTQLQIEISA-N 1 0 292.343 -1.303 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC(N)=O ZINC001483215572 892744436 /nfs/dbraw/zinc/74/44/36/892744436.db2.gz NWMXYJCGJHUDGR-DTWKUNHWSA-N 1 0 270.333 -1.353 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483226693 892745060 /nfs/dbraw/zinc/74/50/60/892745060.db2.gz FPNYVCDRBDDHTM-QWRGUYRKSA-N 1 0 280.328 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001483227101 892744924 /nfs/dbraw/zinc/74/49/24/892744924.db2.gz UJWMZMOLTZQWIP-RYUDHWBXSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001483233023 892747601 /nfs/dbraw/zinc/74/76/01/892747601.db2.gz MMJMLBRYKYCWCM-JTQLQIEISA-N 1 0 278.312 -1.726 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001483253012 892747821 /nfs/dbraw/zinc/74/78/21/892747821.db2.gz YZUQNSMWIJIVDU-QMMMGPOBSA-N 1 0 262.335 -2.232 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001483236690 892749127 /nfs/dbraw/zinc/74/91/27/892749127.db2.gz PPQPHJKLIKOADB-IUCAKERBSA-N 1 0 266.301 -1.298 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001483277672 892751649 /nfs/dbraw/zinc/75/16/49/892751649.db2.gz CFICYDJBMSZSEA-JTQLQIEISA-N 1 0 296.371 -1.091 20 30 CAEDRO Cc1nonc1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483279510 892751893 /nfs/dbraw/zinc/75/18/93/892751893.db2.gz QKKBECROBPCGBS-QMMMGPOBSA-N 1 0 294.315 -1.345 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483387499 892762135 /nfs/dbraw/zinc/76/21/35/892762135.db2.gz BDXFYAGTKORRLL-IUCAKERBSA-N 1 0 266.301 -1.346 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483464446 892764438 /nfs/dbraw/zinc/76/44/38/892764438.db2.gz MOWVLMYFODJQIO-GHMZBOCLSA-N 1 0 296.327 -1.161 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001483420372 892764574 /nfs/dbraw/zinc/76/45/74/892764574.db2.gz IBZDXJQIZZPERQ-JTQLQIEISA-N 1 0 292.343 -1.163 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)Cn1ncn(C)c1=O ZINC001483477124 892765118 /nfs/dbraw/zinc/76/51/18/892765118.db2.gz PQOAJWREIVNPTG-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C#CCC[NH2+]CCCN(C)C(=O)CN1C(=O)CNC1=O ZINC001483508559 892767299 /nfs/dbraw/zinc/76/72/99/892767299.db2.gz VPNQLDMQDWBTDM-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C#CC[NH2+]C[C@@H](NC(=O)CN1CCOCC1=O)C1CC1 ZINC001483565218 892771063 /nfs/dbraw/zinc/77/10/63/892771063.db2.gz CDTIQXFBTWDUPQ-GFCCVEGCSA-N 1 0 279.340 -1.037 20 30 CAEDRO CC(=O)NCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001483710964 892781973 /nfs/dbraw/zinc/78/19/73/892781973.db2.gz VLXRDYDARMSMIN-UHFFFAOYSA-N 1 0 281.316 -1.999 20 30 CAEDRO Cn1nccc1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001483720192 892784633 /nfs/dbraw/zinc/78/46/33/892784633.db2.gz XQNHGOBETPNXRY-UHFFFAOYSA-N 1 0 290.327 -1.088 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCOC2)CC1 ZINC001483719699 892784666 /nfs/dbraw/zinc/78/46/66/892784666.db2.gz RLGLJKSHAMWHKC-SNVBAGLBSA-N 1 0 280.328 -1.099 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001483763550 892789035 /nfs/dbraw/zinc/78/90/35/892789035.db2.gz KDTUWZBHUMIMFP-MRVPVSSYSA-N 1 0 266.301 -2.152 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](C)CC(N)=O)CC1 ZINC001483758949 892789545 /nfs/dbraw/zinc/78/95/45/892789545.db2.gz RIJKGXVSWFERLK-SNVBAGLBSA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001483773753 892789970 /nfs/dbraw/zinc/78/99/70/892789970.db2.gz QXWPRMOTOYCZLR-UHFFFAOYSA-N 1 0 290.323 -1.431 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001483759026 892790408 /nfs/dbraw/zinc/79/04/08/892790408.db2.gz USDASWHNRDCWBH-SNVBAGLBSA-N 1 0 292.339 -1.890 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2ccnc2)CC1 ZINC001483797686 892790676 /nfs/dbraw/zinc/79/06/76/892790676.db2.gz VSABPWWXRIUHMQ-UHFFFAOYSA-N 1 0 290.327 -1.239 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001483759025 892790754 /nfs/dbraw/zinc/79/07/54/892790754.db2.gz USDASWHNRDCWBH-JTQLQIEISA-N 1 0 292.339 -1.890 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001483942733 892795177 /nfs/dbraw/zinc/79/51/77/892795177.db2.gz QNDLDFREKTVCNK-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001483942730 892795526 /nfs/dbraw/zinc/79/55/26/892795526.db2.gz QNDLDFREKTVCNK-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001484204839 892805110 /nfs/dbraw/zinc/80/51/10/892805110.db2.gz FCWJVBRBBWBQJT-AWEZNQCLSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001484204840 892811160 /nfs/dbraw/zinc/81/11/60/892811160.db2.gz FCWJVBRBBWBQJT-CQSZACIVSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001484227023 892812091 /nfs/dbraw/zinc/81/20/91/892812091.db2.gz ZLFIVQAINRYFKG-RISCZKNCSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001484228197 892812817 /nfs/dbraw/zinc/81/28/17/892812817.db2.gz CUWIJFPPOQXGIY-ZWNOBZJWSA-N 1 0 265.313 -1.691 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001484225024 892813637 /nfs/dbraw/zinc/81/36/37/892813637.db2.gz MMUOJMVOJMRYRL-RISCZKNCSA-N 1 0 279.340 -1.159 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001484228194 892813991 /nfs/dbraw/zinc/81/39/91/892813991.db2.gz CUWIJFPPOQXGIY-GWCFXTLKSA-N 1 0 265.313 -1.691 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)CCNC(=O)COC)C1 ZINC001484220758 892814223 /nfs/dbraw/zinc/81/42/23/892814223.db2.gz ASVDWSARKRBSHB-CQSZACIVSA-N 1 0 299.371 -1.122 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001484223437 892818304 /nfs/dbraw/zinc/81/83/04/892818304.db2.gz NAJSVRKSSINDCO-DZGCQCFKSA-N 1 0 295.383 -1.371 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001484254238 892820296 /nfs/dbraw/zinc/82/02/96/892820296.db2.gz IBNBXIFEJFYJKY-IINYFYTJSA-N 1 0 295.339 -1.222 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001484233792 892822064 /nfs/dbraw/zinc/82/20/64/892822064.db2.gz MWZZXAYJQZDZLX-ZDUSSCGKSA-N 1 0 279.340 -1.172 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001484243440 892822710 /nfs/dbraw/zinc/82/27/10/892822710.db2.gz WQXMGSCSABYYEL-ZDUSSCGKSA-N 1 0 292.343 -1.361 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001484238908 892825126 /nfs/dbraw/zinc/82/51/26/892825126.db2.gz MZLLHOOXNQMSIP-YPMHNXCESA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001484238906 892825738 /nfs/dbraw/zinc/82/57/38/892825738.db2.gz MZLLHOOXNQMSIP-DGCLKSJQSA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001484254347 892829627 /nfs/dbraw/zinc/82/96/27/892829627.db2.gz JBULNQUYGFSMAO-FZMZJTMJSA-N 1 0 294.355 -1.284 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001484254241 892830022 /nfs/dbraw/zinc/83/00/22/892830022.db2.gz IBNBXIFEJFYJKY-YGRLFVJLSA-N 1 0 295.339 -1.222 20 30 CAEDRO C=C(C)CN1CC(O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001484308782 892848893 /nfs/dbraw/zinc/84/88/93/892848893.db2.gz AGPZVFMEIJETGB-UHFFFAOYSA-N 1 0 295.339 -1.126 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001484344440 892851558 /nfs/dbraw/zinc/85/15/58/892851558.db2.gz VZEJQRXQIVPNMQ-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC001484383368 892851787 /nfs/dbraw/zinc/85/17/87/892851787.db2.gz VFJMLVSLIYPKQW-QWRGUYRKSA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001484344451 892852048 /nfs/dbraw/zinc/85/20/48/892852048.db2.gz VZEJQRXQIVPNMQ-QWHCGFSZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)CS(C)(=O)=O ZINC001484477907 892862581 /nfs/dbraw/zinc/86/25/81/892862581.db2.gz ZAVBMUSRUFNDBE-UHFFFAOYSA-N 1 0 276.358 -1.535 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CNC(=O)C1CC1 ZINC001484475769 892862847 /nfs/dbraw/zinc/86/28/47/892862847.db2.gz HWBUIWHQLLWJSB-UHFFFAOYSA-N 1 0 267.329 -1.444 20 30 CAEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)Cn1cnnn1 ZINC001484475147 892863126 /nfs/dbraw/zinc/86/31/26/892863126.db2.gz LCSFZIYWGNMHKX-UHFFFAOYSA-N 1 0 268.321 -1.340 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)c1cc[nH]n1 ZINC001484475628 892863347 /nfs/dbraw/zinc/86/33/47/892863347.db2.gz CEKLLGBWVMSRQB-UHFFFAOYSA-N 1 0 293.327 -1.817 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)NC(C)=O ZINC001484476364 892863551 /nfs/dbraw/zinc/86/35/51/892863551.db2.gz FQZJVQXIWYOSBR-JTQLQIEISA-N 1 0 255.318 -1.445 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484481947 892868781 /nfs/dbraw/zinc/86/87/81/892868781.db2.gz BHUYEZBAJKBGIG-VXGBXAGGSA-N 1 0 299.327 -1.288 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@H](C)NC(N)=O ZINC001484482749 892869584 /nfs/dbraw/zinc/86/95/84/892869584.db2.gz RPLPEWAWGOTTOC-VIFPVBQESA-N 1 0 258.322 -1.360 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001484493168 892871171 /nfs/dbraw/zinc/87/11/71/892871171.db2.gz PYQFZVZZIMGZFJ-SECBINFHSA-N 1 0 256.306 -1.736 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001484511170 892871257 /nfs/dbraw/zinc/87/12/57/892871257.db2.gz GPUCJTIQYLUYMH-SNVBAGLBSA-N 1 0 295.343 -1.670 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)C1(C(N)=O)CC1 ZINC001484493505 892871486 /nfs/dbraw/zinc/87/14/86/892871486.db2.gz RLZBFWIDZFDDEQ-UHFFFAOYSA-N 1 0 255.318 -1.152 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001484493962 892871533 /nfs/dbraw/zinc/87/15/33/892871533.db2.gz ZLAXCHKGGAYHGD-NSHDSACASA-N 1 0 298.343 -2.272 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1ccc(C(N)=O)cn1 ZINC001484502528 892871707 /nfs/dbraw/zinc/87/17/07/892871707.db2.gz YUXPROFALYFTKY-UHFFFAOYSA-N 1 0 290.323 -1.162 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001484493169 892872439 /nfs/dbraw/zinc/87/24/39/892872439.db2.gz PYQFZVZZIMGZFJ-VIFPVBQESA-N 1 0 256.306 -1.736 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001484501507 892873275 /nfs/dbraw/zinc/87/32/75/892873275.db2.gz YCKJYRTUKDMKPH-UHFFFAOYSA-N 1 0 278.312 -1.229 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001484503771 892873360 /nfs/dbraw/zinc/87/33/60/892873360.db2.gz TZGLLLPEGRDNPD-JTQLQIEISA-N 1 0 283.328 -1.364 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)Cn1nnnc1C(C)C ZINC001484496136 892873645 /nfs/dbraw/zinc/87/36/45/892873645.db2.gz LZBVQZBLQKPXHS-UHFFFAOYSA-N 1 0 294.359 -1.160 20 30 CAEDRO C#CC[NH2+]CC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001484551654 892875234 /nfs/dbraw/zinc/87/52/34/892875234.db2.gz NAXSHLVLHOUXFT-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001484536969 892877292 /nfs/dbraw/zinc/87/72/92/892877292.db2.gz VSRUXHVSJVHBBI-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001484536979 892877592 /nfs/dbraw/zinc/87/75/92/892877592.db2.gz VSRUXHVSJVHBBI-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484671038 892882579 /nfs/dbraw/zinc/88/25/79/892882579.db2.gz KWLSIKOSGAMNRW-QWRGUYRKSA-N 1 0 293.327 -1.397 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484671036 892883913 /nfs/dbraw/zinc/88/39/13/892883913.db2.gz KWLSIKOSGAMNRW-MNOVXSKESA-N 1 0 293.327 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001484688654 892884134 /nfs/dbraw/zinc/88/41/34/892884134.db2.gz LCCCYHOCLWMOHU-SECBINFHSA-N 1 0 266.305 -1.173 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001484693003 892886955 /nfs/dbraw/zinc/88/69/55/892886955.db2.gz AIDNDLVDHZULTH-SNVBAGLBSA-N 1 0 263.301 -1.203 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)C(N)=O ZINC001484755841 892889820 /nfs/dbraw/zinc/88/98/20/892889820.db2.gz HCEOECNIHQCSSX-UHFFFAOYSA-N 1 0 268.317 -1.999 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001484836636 892892263 /nfs/dbraw/zinc/89/22/63/892892263.db2.gz PNIFRWWFEUBYSG-BXKDBHETSA-N 1 0 268.317 -1.426 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001484838175 892892396 /nfs/dbraw/zinc/89/23/96/892892396.db2.gz KGSMVDZZHSTOIW-ZWNOBZJWSA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001484847073 892894174 /nfs/dbraw/zinc/89/41/74/892894174.db2.gz MNICBLNETNAWAL-BXUZGUMPSA-N 1 0 294.355 -1.366 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001484838174 892895055 /nfs/dbraw/zinc/89/50/55/892895055.db2.gz KGSMVDZZHSTOIW-MFKMUULPSA-N 1 0 281.312 -1.329 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001484836642 892895204 /nfs/dbraw/zinc/89/52/04/892895204.db2.gz PNIFRWWFEUBYSG-JOYOIKCWSA-N 1 0 268.317 -1.426 20 30 CAEDRO C#CCC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001484895182 892896719 /nfs/dbraw/zinc/89/67/19/892896719.db2.gz OWEIVBRCSAQHKW-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001484898001 892897292 /nfs/dbraw/zinc/89/72/92/892897292.db2.gz SXKBVEKQQMFTJF-IUCAKERBSA-N 1 0 268.317 -1.790 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001484948549 892897591 /nfs/dbraw/zinc/89/75/91/892897591.db2.gz CBSILVYASBAOMX-LBPRGKRZSA-N 1 0 282.340 -1.022 20 30 CAEDRO COCC#CC[NH2+][C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001484887300 892897900 /nfs/dbraw/zinc/89/79/00/892897900.db2.gz KXDJWPMASKAZFQ-NEPJUHHUSA-N 1 0 292.343 -1.241 20 30 CAEDRO COCC#CC[NH2+][C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001484887305 892897994 /nfs/dbraw/zinc/89/79/94/892897994.db2.gz KXDJWPMASKAZFQ-RYUDHWBXSA-N 1 0 292.343 -1.241 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001484948547 892898777 /nfs/dbraw/zinc/89/87/77/892898777.db2.gz CBSILVYASBAOMX-GFCCVEGCSA-N 1 0 282.340 -1.022 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001484906078 892899652 /nfs/dbraw/zinc/89/96/52/892899652.db2.gz JDAHOIGHRRQLAE-UWVGGRQHSA-N 1 0 273.358 -1.395 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001484953760 892900104 /nfs/dbraw/zinc/90/01/04/892900104.db2.gz YWKBAGQOVKHXQY-GFCCVEGCSA-N 1 0 284.356 -1.040 20 30 CAEDRO C[C@@H](CCNC(=O)c1nnn(C)n1)[NH2+]CC(=O)NCC#N ZINC001484997407 892901829 /nfs/dbraw/zinc/90/18/29/892901829.db2.gz PCTMSDOBVWZSTM-QMMMGPOBSA-N 1 0 294.319 -2.052 20 30 CAEDRO CC(=O)NCC(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001484987167 892903129 /nfs/dbraw/zinc/90/31/29/892903129.db2.gz NJZYLGAIDXIUHR-VIFPVBQESA-N 1 0 283.332 -1.753 20 30 CAEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001485022897 892903292 /nfs/dbraw/zinc/90/32/92/892903292.db2.gz OMHIZWPGCMSAMJ-JTQLQIEISA-N 1 0 280.328 -1.756 20 30 CAEDRO C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001484997874 892903438 /nfs/dbraw/zinc/90/34/38/892903438.db2.gz SNMAUZUWCLTBQD-DTWKUNHWSA-N 1 0 296.331 -2.208 20 30 CAEDRO CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485130517 892905114 /nfs/dbraw/zinc/90/51/14/892905114.db2.gz RGUKVDKVNVBGBW-ZJUUUORDSA-N 1 0 297.359 -1.365 20 30 CAEDRO C=CC[NH2+]CC1CC(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001485096300 892906793 /nfs/dbraw/zinc/90/67/93/892906793.db2.gz WHHFYJJWEYWEJN-UHFFFAOYSA-N 1 0 296.371 -1.091 20 30 CAEDRO CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485130514 892907638 /nfs/dbraw/zinc/90/76/38/892907638.db2.gz RGUKVDKVNVBGBW-NXEZZACHSA-N 1 0 297.359 -1.365 20 30 CAEDRO C[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485159568 892909557 /nfs/dbraw/zinc/90/95/57/892909557.db2.gz IERFETGHHRDJME-IUCAKERBSA-N 1 0 297.359 -1.380 20 30 CAEDRO C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001485180260 892909586 /nfs/dbraw/zinc/90/95/86/892909586.db2.gz CBEVHZLQHZMPPO-RYUDHWBXSA-N 1 0 280.372 -1.076 20 30 CAEDRO C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001485180261 892909735 /nfs/dbraw/zinc/90/97/35/892909735.db2.gz CBEVHZLQHZMPPO-VXGBXAGGSA-N 1 0 280.372 -1.076 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001485156650 892910011 /nfs/dbraw/zinc/91/00/11/892910011.db2.gz HVYVVDVPYOBNRN-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001485196260 892913696 /nfs/dbraw/zinc/91/36/96/892913696.db2.gz QULJNHVSFKULFQ-BDAKNGLRSA-N 1 0 294.311 -1.477 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001485197171 892914331 /nfs/dbraw/zinc/91/43/31/892914331.db2.gz VJKYENUILDBQAF-UWVGGRQHSA-N 1 0 292.339 -1.186 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001485198721 892915198 /nfs/dbraw/zinc/91/51/98/892915198.db2.gz KZGQCFXTSJHRAL-UWVGGRQHSA-N 1 0 292.343 -1.339 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001485197170 892915299 /nfs/dbraw/zinc/91/52/99/892915299.db2.gz VJKYENUILDBQAF-NXEZZACHSA-N 1 0 292.339 -1.186 20 30 CAEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001485335753 892916767 /nfs/dbraw/zinc/91/67/67/892916767.db2.gz DQVXXUXZVHRIJZ-LLVKDONJSA-N 1 0 266.345 -1.512 20 30 CAEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001485536757 892935725 /nfs/dbraw/zinc/93/57/25/892935725.db2.gz XAOUSXXQHASRKZ-JTQLQIEISA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001485645178 892939519 /nfs/dbraw/zinc/93/95/19/892939519.db2.gz SDJDSJMCLCCJPX-VHSXEESVSA-N 1 0 278.316 -1.338 20 30 CAEDRO C#CC[N@@H+](C)CCOCCNC(=O)Cn1ncn(C)c1=O ZINC001485772858 892943516 /nfs/dbraw/zinc/94/35/16/892943516.db2.gz AWXMLYCYXSLQCA-UHFFFAOYSA-N 1 0 295.343 -1.720 20 30 CAEDRO C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001485774655 892944232 /nfs/dbraw/zinc/94/42/32/892944232.db2.gz MFIZEUKALUFTGG-LLVKDONJSA-N 1 0 282.344 -1.292 20 30 CAEDRO C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001485774659 892944418 /nfs/dbraw/zinc/94/44/18/892944418.db2.gz MFIZEUKALUFTGG-NSHDSACASA-N 1 0 282.344 -1.292 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC(=O)NCC ZINC001485867172 892946697 /nfs/dbraw/zinc/94/66/97/892946697.db2.gz VZHJOQLWNADINW-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485844079 892946720 /nfs/dbraw/zinc/94/67/20/892946720.db2.gz DTWNGDJPVIWGGT-LLVKDONJSA-N 1 0 280.332 -1.241 20 30 CAEDRO CC#CC[NH2+]CCCOCCNC(=O)c1nnn(C)n1 ZINC001485794065 892947120 /nfs/dbraw/zinc/94/71/20/892947120.db2.gz IJOCTAYAGKGKFQ-UHFFFAOYSA-N 1 0 280.332 -1.041 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001485872545 892948144 /nfs/dbraw/zinc/94/81/44/892948144.db2.gz UUVTXSCQIQSXBC-SNVBAGLBSA-N 1 0 292.343 -1.385 20 30 CAEDRO CCC(=O)NCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485856042 892948305 /nfs/dbraw/zinc/94/83/05/892948305.db2.gz OPZVBJVTVBOGFU-JTQLQIEISA-N 1 0 297.359 -1.411 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001485872540 892948728 /nfs/dbraw/zinc/94/87/28/892948728.db2.gz UUVTXSCQIQSXBC-JTQLQIEISA-N 1 0 292.343 -1.385 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCNC1=O ZINC001485908829 892952007 /nfs/dbraw/zinc/95/20/07/892952007.db2.gz BZYUVJCLHKBBPH-QWRGUYRKSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001485882321 892952247 /nfs/dbraw/zinc/95/22/47/892952247.db2.gz INTPRTQNJJEWKB-LLVKDONJSA-N 1 0 292.339 -1.383 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C(N)=O)C1=O ZINC001485917801 892952540 /nfs/dbraw/zinc/95/25/40/892952540.db2.gz RIKPHTUICCSONC-NXEZZACHSA-N 1 0 282.344 -1.305 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001485882323 892952772 /nfs/dbraw/zinc/95/27/72/892952772.db2.gz INTPRTQNJJEWKB-NSHDSACASA-N 1 0 292.339 -1.383 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CCNS(C)(=O)=O ZINC001485884091 892952914 /nfs/dbraw/zinc/95/29/14/892952914.db2.gz ZKVWFYUQBCFFEY-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485966662 892955610 /nfs/dbraw/zinc/95/56/10/892955610.db2.gz YVGVFJGFWCAOHW-QMMMGPOBSA-N 1 0 258.278 -2.661 20 30 CAEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001485930416 892956513 /nfs/dbraw/zinc/95/65/13/892956513.db2.gz QYBUWRRFFMAZNE-PWSUYJOCSA-N 1 0 296.371 -1.174 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(F)F ZINC001485966832 892956832 /nfs/dbraw/zinc/95/68/32/892956832.db2.gz CGSOPDZJHUCMRL-QMMMGPOBSA-N 1 0 277.271 -1.542 20 30 CAEDRO CC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001485974451 892959411 /nfs/dbraw/zinc/95/94/11/892959411.db2.gz DCAPRZIXHXVISY-NXEZZACHSA-N 1 0 270.333 -1.261 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccoc1 ZINC001485973626 892961709 /nfs/dbraw/zinc/96/17/09/892961709.db2.gz PUCFEFUHMOFMRL-SNVBAGLBSA-N 1 0 280.284 -1.400 20 30 CAEDRO Cn1nccc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485978922 892962805 /nfs/dbraw/zinc/96/28/05/892962805.db2.gz DXUYUHPVJDSSPY-VIFPVBQESA-N 1 0 294.315 -2.260 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001485979367 892966741 /nfs/dbraw/zinc/96/67/41/892966741.db2.gz IXDNMLBDGNDAPX-VHSXEESVSA-N 1 0 298.343 -2.366 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nnn(C)c1C ZINC001485982040 892968250 /nfs/dbraw/zinc/96/82/50/892968250.db2.gz IJMCEAFXQLXANE-SNVBAGLBSA-N 1 0 265.317 -1.173 20 30 CAEDRO CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001485979403 892969146 /nfs/dbraw/zinc/96/91/46/892969146.db2.gz JCJDCYDOMFQEMQ-QWRGUYRKSA-N 1 0 299.375 -1.080 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnc(C)[nH]1 ZINC001485979378 892969361 /nfs/dbraw/zinc/96/93/61/892969361.db2.gz JAAXKSNMGXXLAW-JTQLQIEISA-N 1 0 293.327 -1.852 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C=C1CCC1 ZINC001485986719 892971969 /nfs/dbraw/zinc/97/19/69/892971969.db2.gz VSQVQLHXUJDCKO-NSHDSACASA-N 1 0 280.328 -1.197 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001485983368 892971996 /nfs/dbraw/zinc/97/19/96/892971996.db2.gz SZMDSUZUHXLEIM-QWRGUYRKSA-N 1 0 298.343 -1.928 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCOCC1 ZINC001485983370 892973980 /nfs/dbraw/zinc/97/39/80/892973980.db2.gz SZMDSUZUHXLEIM-WDEREUQCSA-N 1 0 298.343 -1.928 20 30 CAEDRO C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485983955 892974449 /nfs/dbraw/zinc/97/44/49/892974449.db2.gz WTYZQSWRAXROKJ-NEPJUHHUSA-N 1 0 296.371 -2.103 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001485997264 892975557 /nfs/dbraw/zinc/97/55/57/892975557.db2.gz MAYZSZGNNXMVRI-VIFPVBQESA-N 1 0 254.294 -1.684 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001486000587 892975645 /nfs/dbraw/zinc/97/56/45/892975645.db2.gz AJFFPDOLTUYMOO-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001485997857 892975881 /nfs/dbraw/zinc/97/58/81/892975881.db2.gz AYLCYLPRRXREIO-RYUDHWBXSA-N 1 0 299.371 -1.382 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001485996918 892976150 /nfs/dbraw/zinc/97/61/50/892976150.db2.gz ZOZAIGKDJNEZRE-ONGXEEELSA-N 1 0 267.329 -1.399 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CO[C@H]1CCOC1 ZINC001485994499 892976179 /nfs/dbraw/zinc/97/61/79/892976179.db2.gz GAOBWMOQGGTRKG-MNOVXSKESA-N 1 0 256.302 -1.508 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc[nH]c1 ZINC001485998201 892976223 /nfs/dbraw/zinc/97/62/23/892976223.db2.gz FBUKHDSRPDMFJZ-NSHDSACASA-N 1 0 280.328 -1.003 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1 ZINC001485998291 892976274 /nfs/dbraw/zinc/97/62/74/892976274.db2.gz FVEJGDZGCDVUES-CMPLNLGQSA-N 1 0 292.339 -1.167 20 30 CAEDRO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001485996359 892976667 /nfs/dbraw/zinc/97/66/67/892976667.db2.gz VWONTRAUDQWJFJ-NSHDSACASA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cc[nH]c1 ZINC001485998292 892976709 /nfs/dbraw/zinc/97/67/09/892976709.db2.gz FVEJGDZGCDVUES-JQWIXIFHSA-N 1 0 292.339 -1.167 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001485996916 892977431 /nfs/dbraw/zinc/97/74/31/892977431.db2.gz ZOZAIGKDJNEZRE-KOLCDFICSA-N 1 0 267.329 -1.399 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001485996310 892977739 /nfs/dbraw/zinc/97/77/39/892977739.db2.gz VOTMIYWQSOFLHS-LBPRGKRZSA-N 1 0 279.340 -1.231 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCNS(C)(=O)=O ZINC001486002056 892979623 /nfs/dbraw/zinc/97/96/23/892979623.db2.gz LVGSYBAQZVJBQQ-SECBINFHSA-N 1 0 277.346 -2.374 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCNS(C)(=O)=O ZINC001486002060 892979870 /nfs/dbraw/zinc/97/98/70/892979870.db2.gz LVGSYBAQZVJBQQ-VIFPVBQESA-N 1 0 277.346 -2.374 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cncn1C ZINC001486014604 892981763 /nfs/dbraw/zinc/98/17/63/892981763.db2.gz YUSBWFYTEOJNLA-JTQLQIEISA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN1CCCCC1=O ZINC001486010399 892982045 /nfs/dbraw/zinc/98/20/45/892982045.db2.gz AYVQWBTWHNKFBJ-NSHDSACASA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cncn1C ZINC001486014607 892982987 /nfs/dbraw/zinc/98/29/87/892982987.db2.gz YUSBWFYTEOJNLA-SNVBAGLBSA-N 1 0 293.327 -2.150 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001486011984 892983644 /nfs/dbraw/zinc/98/36/44/892983644.db2.gz QMZFNJJQVNBEEU-NWDGAFQWSA-N 1 0 297.355 -1.771 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001486011986 892984195 /nfs/dbraw/zinc/98/41/95/892984195.db2.gz QMZFNJJQVNBEEU-VXGBXAGGSA-N 1 0 297.355 -1.771 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001486025790 892985740 /nfs/dbraw/zinc/98/57/40/892985740.db2.gz AQJKNGINNVIGMR-DCQANWLSSA-N 1 0 297.355 -1.752 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccn2nnnc2c1 ZINC001486022727 892987735 /nfs/dbraw/zinc/98/77/35/892987735.db2.gz IRFPQOFECPXGFI-LLVKDONJSA-N 1 0 288.311 -1.172 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001486022767 892988236 /nfs/dbraw/zinc/98/82/36/892988236.db2.gz JANJZKQTOYOVJO-VHSXEESVSA-N 1 0 255.318 -1.412 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001486030964 892991449 /nfs/dbraw/zinc/99/14/49/892991449.db2.gz XWFFFKAKSMWBDH-BDAKNGLRSA-N 1 0 256.306 -1.689 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C(N)=O)C1=O ZINC001486031748 892992967 /nfs/dbraw/zinc/99/29/67/892992967.db2.gz VJAKROSHCUPAGM-RKDXNWHRSA-N 1 0 284.316 -2.675 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001486035950 892994034 /nfs/dbraw/zinc/99/40/34/892994034.db2.gz CQXZNJNVICCMFR-JTQLQIEISA-N 1 0 290.323 -1.198 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001486032129 892994384 /nfs/dbraw/zinc/99/43/84/892994384.db2.gz OIIHQPRGPAJMRD-NEPJUHHUSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001486032130 892994524 /nfs/dbraw/zinc/99/45/24/892994524.db2.gz OIIHQPRGPAJMRD-VXGBXAGGSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)c1 ZINC001486034069 892994543 /nfs/dbraw/zinc/99/45/43/892994543.db2.gz MJSPUFCYNQQBJH-LLVKDONJSA-N 1 0 276.296 -1.772 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001486283033 893036777 /nfs/dbraw/zinc/03/67/77/893036777.db2.gz ORIVERCSOBWGNJ-SNVBAGLBSA-N 1 0 269.345 -1.070 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486279518 893037976 /nfs/dbraw/zinc/03/79/76/893037976.db2.gz RYVSMKYYACOEGS-SECBINFHSA-N 1 0 256.306 -2.043 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C(N)=O)C1=O ZINC001486031745 892995020 /nfs/dbraw/zinc/99/50/20/892995020.db2.gz VJAKROSHCUPAGM-BDAKNGLRSA-N 1 0 284.316 -2.675 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001486040105 892995327 /nfs/dbraw/zinc/99/53/27/892995327.db2.gz REGCHTYIVZZOIN-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnc(OC)nc1 ZINC001486049412 892996828 /nfs/dbraw/zinc/99/68/28/892996828.db2.gz WMKRWIGLXBAIEH-JTQLQIEISA-N 1 0 264.285 -1.201 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001486043005 892997501 /nfs/dbraw/zinc/99/75/01/892997501.db2.gz NUDZGXMCKXIGDQ-SECBINFHSA-N 1 0 293.389 -1.433 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncccn1 ZINC001486046737 892997619 /nfs/dbraw/zinc/99/76/19/892997619.db2.gz XLNNRKKFWCPSJS-JTQLQIEISA-N 1 0 293.327 -1.541 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+]CCO)nn1 ZINC001486044227 892998407 /nfs/dbraw/zinc/99/84/07/892998407.db2.gz WKHLGETUVFCVOX-SECBINFHSA-N 1 0 269.305 -1.863 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1ccco1 ZINC001486046398 892998060 /nfs/dbraw/zinc/99/80/60/892998060.db2.gz PEUOJOLKAAIVIX-SNVBAGLBSA-N 1 0 294.311 -1.471 20 30 CAEDRO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)NCC#N)CC1 ZINC001486049319 892998207 /nfs/dbraw/zinc/99/82/07/892998207.db2.gz ZPODVKKTABVDBI-NSHDSACASA-N 1 0 284.360 -1.313 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001486041689 892998544 /nfs/dbraw/zinc/99/85/44/892998544.db2.gz WRAQTDCLGHLSHH-UWVGGRQHSA-N 1 0 284.316 -2.934 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncccn1 ZINC001486046738 892998568 /nfs/dbraw/zinc/99/85/68/892998568.db2.gz XLNNRKKFWCPSJS-SNVBAGLBSA-N 1 0 293.327 -1.541 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001486047732 892998813 /nfs/dbraw/zinc/99/88/13/892998813.db2.gz MKOPHXUYJVRDHU-LLVKDONJSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001486044603 892999463 /nfs/dbraw/zinc/99/94/63/892999463.db2.gz OJZLWMAOAUVDMX-VIFPVBQESA-N 1 0 269.301 -1.708 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001486054587 893000621 /nfs/dbraw/zinc/00/06/21/893000621.db2.gz ACMVFUMTGZVIMR-UWVGGRQHSA-N 1 0 255.318 -1.092 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCC(=O)N1CCOCC1 ZINC001486058624 893000927 /nfs/dbraw/zinc/00/09/27/893000927.db2.gz IGUPQSVSPHISLQ-LBPRGKRZSA-N 1 0 299.371 -1.122 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCC(=O)N1CCOCC1 ZINC001486058623 893001610 /nfs/dbraw/zinc/00/16/10/893001610.db2.gz IGUPQSVSPHISLQ-GFCCVEGCSA-N 1 0 299.371 -1.122 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1(C(=O)NC)CCC1 ZINC001486055705 893003086 /nfs/dbraw/zinc/00/30/86/893003086.db2.gz OIACUVYYYIKADU-NSHDSACASA-N 1 0 281.356 -1.007 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)N(C)C ZINC001486057851 893004294 /nfs/dbraw/zinc/00/42/94/893004294.db2.gz TXKWBJTUFXJACW-JTQLQIEISA-N 1 0 291.373 -2.032 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001486055569 893004357 /nfs/dbraw/zinc/00/43/57/893004357.db2.gz NFBMQGKNNCJHAV-UWVGGRQHSA-N 1 0 253.302 -1.645 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001486057806 893004786 /nfs/dbraw/zinc/00/47/86/893004786.db2.gz SGJXNMDKLSSWAX-SNVBAGLBSA-N 1 0 290.323 -1.245 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001486062492 893006338 /nfs/dbraw/zinc/00/63/38/893006338.db2.gz WVSWKNXFKZTDNC-LLVKDONJSA-N 1 0 250.302 -1.109 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001486065790 893007041 /nfs/dbraw/zinc/00/70/41/893007041.db2.gz KIWCMNQIPGLLJR-UWVGGRQHSA-N 1 0 278.374 -1.080 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001486062893 893007580 /nfs/dbraw/zinc/00/75/80/893007580.db2.gz HQHWVEFNBLDAPN-VHSXEESVSA-N 1 0 291.373 -1.679 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001486066549 893008902 /nfs/dbraw/zinc/00/89/02/893008902.db2.gz QELHIFVPUKQMLH-QWRGUYRKSA-N 1 0 290.385 -1.243 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001486062177 893008967 /nfs/dbraw/zinc/00/89/67/893008967.db2.gz DNVCFMXJEVUNCF-UWVGGRQHSA-N 1 0 291.373 -1.679 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001486065792 893009480 /nfs/dbraw/zinc/00/94/80/893009480.db2.gz KIWCMNQIPGLLJR-ZJUUUORDSA-N 1 0 278.374 -1.080 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001486062891 893009927 /nfs/dbraw/zinc/00/99/27/893009927.db2.gz HQHWVEFNBLDAPN-UWVGGRQHSA-N 1 0 291.373 -1.679 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001486064137 893009979 /nfs/dbraw/zinc/00/99/79/893009979.db2.gz XQTYFWJNGCSUMO-NEPJUHHUSA-N 1 0 291.355 -1.151 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001486065789 893010356 /nfs/dbraw/zinc/01/03/56/893010356.db2.gz KIWCMNQIPGLLJR-NXEZZACHSA-N 1 0 278.374 -1.080 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)CS(C)(=O)=O ZINC001486066548 893010606 /nfs/dbraw/zinc/01/06/06/893010606.db2.gz QELHIFVPUKQMLH-MNOVXSKESA-N 1 0 290.385 -1.243 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001486241784 893017157 /nfs/dbraw/zinc/01/71/57/893017157.db2.gz ZHHBMMWVGOOJDU-NXEZZACHSA-N 1 0 296.371 -1.011 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCO1 ZINC001486259092 893017385 /nfs/dbraw/zinc/01/73/85/893017385.db2.gz AXGLHRUBGGLVBE-MNOVXSKESA-N 1 0 298.343 -1.786 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486263950 893024902 /nfs/dbraw/zinc/02/49/02/893024902.db2.gz ANGWOBVUMHCXGV-NWDGAFQWSA-N 1 0 297.355 -1.676 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCO1 ZINC001486259094 893025435 /nfs/dbraw/zinc/02/54/35/893025435.db2.gz AXGLHRUBGGLVBE-WDEREUQCSA-N 1 0 298.343 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)C ZINC001486262467 893025905 /nfs/dbraw/zinc/02/59/05/893025905.db2.gz ZUBAIYCHIKPAHX-NSHDSACASA-N 1 0 269.345 -1.199 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001486261492 893026507 /nfs/dbraw/zinc/02/65/07/893026507.db2.gz ITLWFATUXCEZLW-NEPJUHHUSA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001486268095 893026676 /nfs/dbraw/zinc/02/66/76/893026676.db2.gz PJIURVJMSCKNPQ-NEPJUHHUSA-N 1 0 269.345 -1.641 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001486268096 893027308 /nfs/dbraw/zinc/02/73/08/893027308.db2.gz PJIURVJMSCKNPQ-NWDGAFQWSA-N 1 0 269.345 -1.641 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1c[nH]c(C#N)c1 ZINC001486272594 893030859 /nfs/dbraw/zinc/03/08/59/893030859.db2.gz ZXPHLIQCNIHQHB-JTQLQIEISA-N 1 0 279.300 -1.606 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1COCCN1CC ZINC001486285797 893034804 /nfs/dbraw/zinc/03/48/04/893034804.db2.gz RBCIXCUEAOVAIJ-OLZOCXBDSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001486288050 893034842 /nfs/dbraw/zinc/03/48/42/893034842.db2.gz KQGLFQGWGUTNQW-GFCCVEGCSA-N 1 0 296.371 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001486288340 893035319 /nfs/dbraw/zinc/03/53/19/893035319.db2.gz QKMKPHQWDFQQAT-LLVKDONJSA-N 1 0 282.344 -1.556 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001486287796 893036165 /nfs/dbraw/zinc/03/61/65/893036165.db2.gz FERFIHICNBKNAJ-SECBINFHSA-N 1 0 296.331 -1.871 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001486285565 893036379 /nfs/dbraw/zinc/03/63/79/893036379.db2.gz JIPXBZUGOXSSGO-SNVBAGLBSA-N 1 0 296.327 -1.456 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001486280088 893037311 /nfs/dbraw/zinc/03/73/11/893037311.db2.gz DEUBYAJDCZFKNV-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(C)CC1 ZINC001486280001 893037810 /nfs/dbraw/zinc/03/78/10/893037810.db2.gz UHJYWVUCSPZPAE-NSHDSACASA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001486281826 893038073 /nfs/dbraw/zinc/03/80/73/893038073.db2.gz VSPYHWQRTLKVCA-JTQLQIEISA-N 1 0 278.312 -1.564 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001486298502 893039741 /nfs/dbraw/zinc/03/97/41/893039741.db2.gz QCQCYYUATQLYHY-IUCAKERBSA-N 1 0 290.751 -1.171 20 30 CAEDRO C=CCOCC[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486298132 893041304 /nfs/dbraw/zinc/04/13/04/893041304.db2.gz LCJWKNYLTHIVAM-SECBINFHSA-N 1 0 259.306 -1.917 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001486298713 893041550 /nfs/dbraw/zinc/04/15/50/893041550.db2.gz WECJLRABDSXHCF-SNVBAGLBSA-N 1 0 267.329 -1.316 20 30 CAEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001486298501 893042201 /nfs/dbraw/zinc/04/22/01/893042201.db2.gz QCQCYYUATQLYHY-DTWKUNHWSA-N 1 0 290.751 -1.171 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001486301169 893043017 /nfs/dbraw/zinc/04/30/17/893043017.db2.gz LAENIQSMDUSWRU-NWDGAFQWSA-N 1 0 293.367 -1.055 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001486302165 893044413 /nfs/dbraw/zinc/04/44/13/893044413.db2.gz UJLRUGMGUYEQEG-IUCAKERBSA-N 1 0 284.316 -1.821 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001486311349 893044469 /nfs/dbraw/zinc/04/44/69/893044469.db2.gz PCMFEPPLEIMTAS-MFKMUULPSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001486304276 893045968 /nfs/dbraw/zinc/04/59/68/893045968.db2.gz HOTOHVCLGATOTI-QWRGUYRKSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001486319539 893051932 /nfs/dbraw/zinc/05/19/32/893051932.db2.gz LGCMHMKSBPKAQW-LLVKDONJSA-N 1 0 290.323 -1.164 20 30 CAEDRO C=CCOCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001486328105 893051953 /nfs/dbraw/zinc/05/19/53/893051953.db2.gz GMOMEHUXJCCRSO-NWDGAFQWSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336476 893056455 /nfs/dbraw/zinc/05/64/55/893056455.db2.gz KIRSHAQHGPSVAI-JTQLQIEISA-N 1 0 272.349 -1.148 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001486344023 893056744 /nfs/dbraw/zinc/05/67/44/893056744.db2.gz GMEIKMMUASAAAC-QWRGUYRKSA-N 1 0 282.344 -1.606 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001486344019 893057250 /nfs/dbraw/zinc/05/72/50/893057250.db2.gz GMEIKMMUASAAAC-MNOVXSKESA-N 1 0 282.344 -1.606 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001486331671 893057310 /nfs/dbraw/zinc/05/73/10/893057310.db2.gz ZCPWQDAYDHPOCC-QWRGUYRKSA-N 1 0 284.360 -1.182 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336465 893057749 /nfs/dbraw/zinc/05/77/49/893057749.db2.gz JYTPAUWGEBDZFC-NSHDSACASA-N 1 0 284.360 -1.310 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001486345559 893057917 /nfs/dbraw/zinc/05/79/17/893057917.db2.gz SUDDBHFQBPBJFZ-RYUDHWBXSA-N 1 0 281.356 -1.009 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336477 893060588 /nfs/dbraw/zinc/06/05/88/893060588.db2.gz KIRSHAQHGPSVAI-SNVBAGLBSA-N 1 0 272.349 -1.148 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001486337193 893060921 /nfs/dbraw/zinc/06/09/21/893060921.db2.gz RBRQQLQDKWZSQG-GFCCVEGCSA-N 1 0 299.371 -1.218 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001486348961 893061369 /nfs/dbraw/zinc/06/13/69/893061369.db2.gz LSDAWKYKIMKMIV-SMDDNHRTSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001486339470 893061787 /nfs/dbraw/zinc/06/17/87/893061787.db2.gz WRNYCLGSRIHOEL-GFCCVEGCSA-N 1 0 296.371 -1.214 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001486348958 893061845 /nfs/dbraw/zinc/06/18/45/893061845.db2.gz LSDAWKYKIMKMIV-BXUZGUMPSA-N 1 0 281.356 -1.103 20 30 CAEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001486337194 893062818 /nfs/dbraw/zinc/06/28/18/893062818.db2.gz RBRQQLQDKWZSQG-LBPRGKRZSA-N 1 0 299.371 -1.218 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001486344015 893063082 /nfs/dbraw/zinc/06/30/82/893063082.db2.gz GMEIKMMUASAAAC-GHMZBOCLSA-N 1 0 282.344 -1.606 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001486348959 893063204 /nfs/dbraw/zinc/06/32/04/893063204.db2.gz LSDAWKYKIMKMIV-FZMZJTMJSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001486336464 893064141 /nfs/dbraw/zinc/06/41/41/893064141.db2.gz JYTPAUWGEBDZFC-LLVKDONJSA-N 1 0 284.360 -1.310 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001486357797 893065924 /nfs/dbraw/zinc/06/59/24/893065924.db2.gz VWPJQVPOIXZXQN-NSHDSACASA-N 1 0 265.317 -1.338 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001486360555 893069634 /nfs/dbraw/zinc/06/96/34/893069634.db2.gz NNQIVMGRTIUZQT-GHMZBOCLSA-N 1 0 297.355 -1.024 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001486358643 893069783 /nfs/dbraw/zinc/06/97/83/893069783.db2.gz GPBDHXWWJYKZAJ-SNVBAGLBSA-N 1 0 291.373 -2.080 20 30 CAEDRO C[C@H](C#N)C(=O)N(C)CCOCC[NH2+]CC(=O)NC(N)=O ZINC001486493100 893075452 /nfs/dbraw/zinc/07/54/52/893075452.db2.gz MRUVNTBVGAAGPZ-SECBINFHSA-N 1 0 299.331 -1.594 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)CC(N)=O ZINC001490193157 893191331 /nfs/dbraw/zinc/19/13/31/893191331.db2.gz MMFTXPHMUVBBBN-JTQLQIEISA-N 1 0 255.318 -1.052 20 30 CAEDRO CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001488701422 893164308 /nfs/dbraw/zinc/16/43/08/893164308.db2.gz OZWDXTVJVPEDFI-PHIMTYICSA-N 1 0 295.343 -1.753 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001488838066 893167313 /nfs/dbraw/zinc/16/73/13/893167313.db2.gz KWCVNDSVFWQLGB-HAQNSBGRSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC(N)=O)C1 ZINC001488818245 893168623 /nfs/dbraw/zinc/16/86/23/893168623.db2.gz NGBPKYXGQBYMHM-MGCOHNPYSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001489164808 893170426 /nfs/dbraw/zinc/17/04/26/893170426.db2.gz ZQWIJJYXXANQRZ-LLVKDONJSA-N 1 0 292.343 -1.258 20 30 CAEDRO C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001489160914 893171493 /nfs/dbraw/zinc/17/14/93/893171493.db2.gz PLFQNDXHYBIAQI-LBPRGKRZSA-N 1 0 292.343 -1.408 20 30 CAEDRO C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001489160912 893172969 /nfs/dbraw/zinc/17/29/69/893172969.db2.gz PLFQNDXHYBIAQI-GFCCVEGCSA-N 1 0 292.343 -1.408 20 30 CAEDRO C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001489175317 893176554 /nfs/dbraw/zinc/17/65/54/893176554.db2.gz UFFSQHQPAUTSFM-LBPRGKRZSA-N 1 0 296.371 -1.037 20 30 CAEDRO C=CCNC(=O)C[N@@H+](C)CCCNC(=O)c1nnn(C)n1 ZINC001490236216 893193849 /nfs/dbraw/zinc/19/38/49/893193849.db2.gz BZXSTFTXTFBXCX-UHFFFAOYSA-N 1 0 295.347 -1.436 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001490305196 893193999 /nfs/dbraw/zinc/19/39/99/893193999.db2.gz DVHBYRSYQKDDDV-MNOVXSKESA-N 1 0 294.355 -1.420 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCNC1=O ZINC001490234265 893195682 /nfs/dbraw/zinc/19/56/82/893195682.db2.gz VWMGDPHKBBYBLH-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001490305192 893196000 /nfs/dbraw/zinc/19/60/00/893196000.db2.gz DVHBYRSYQKDDDV-GHMZBOCLSA-N 1 0 294.355 -1.420 20 30 CAEDRO C=CCN1CC[NH+](CCCNC(=O)Cn2cnnn2)CC1 ZINC001490463071 893198730 /nfs/dbraw/zinc/19/87/30/893198730.db2.gz MHFCBBCORGZSCV-UHFFFAOYSA-N 1 0 293.375 -1.017 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001490473747 893201784 /nfs/dbraw/zinc/20/17/84/893201784.db2.gz UHKYNVLQIRSIKQ-GFCCVEGCSA-N 1 0 293.371 -1.575 20 30 CAEDRO C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001490473820 893202539 /nfs/dbraw/zinc/20/25/39/893202539.db2.gz VCOVKANUIMYEIU-CYBMUJFWSA-N 1 0 292.383 -1.120 20 30 CAEDRO COC[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001490486441 893206184 /nfs/dbraw/zinc/20/61/84/893206184.db2.gz ZCLVMUUYEHPJNV-QWHCGFSZSA-N 1 0 298.387 -1.113 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647283 893211247 /nfs/dbraw/zinc/21/12/47/893211247.db2.gz ASOIYUINBGKWFR-GXSJLCMTSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647286 893211569 /nfs/dbraw/zinc/21/15/69/893211569.db2.gz ASOIYUINBGKWFR-ONGXEEELSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647674 893212227 /nfs/dbraw/zinc/21/22/27/893212227.db2.gz FACAVSJHUIWDBB-SNVBAGLBSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001490647285 893215536 /nfs/dbraw/zinc/21/55/36/893215536.db2.gz ASOIYUINBGKWFR-MWLCHTKSSA-N 1 0 294.355 -1.516 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)COC)C1 ZINC001490806363 893219404 /nfs/dbraw/zinc/21/94/04/893219404.db2.gz UJETVJIPBALWHQ-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001490840364 893221807 /nfs/dbraw/zinc/22/18/07/893221807.db2.gz WMLDFZMTBFIVPL-DTWKUNHWSA-N 1 0 294.315 -2.502 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001490872436 893222528 /nfs/dbraw/zinc/22/25/28/893222528.db2.gz SULVHZFHJVYCQJ-DCAQKATOSA-N 1 0 296.327 -1.722 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001490886587 893222700 /nfs/dbraw/zinc/22/27/00/893222700.db2.gz RTHJLDLIIPOJIJ-NQBHXWOUSA-N 1 0 281.356 -1.011 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001490829987 893222751 /nfs/dbraw/zinc/22/27/51/893222751.db2.gz BSXLASZYZXGDHC-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001490857777 893223605 /nfs/dbraw/zinc/22/36/05/893223605.db2.gz YUKCRGXXRRRDRT-NSHDSACASA-N 1 0 289.339 -1.026 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001490847756 893224158 /nfs/dbraw/zinc/22/41/58/893224158.db2.gz JWSJBYPHWANLDF-QMMMGPOBSA-N 1 0 277.288 -1.751 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)OC)C1 ZINC001490870455 893224385 /nfs/dbraw/zinc/22/43/85/893224385.db2.gz CDDQIJPJMGXISW-MGCOHNPYSA-N 1 0 298.343 -1.119 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001490847725 893224845 /nfs/dbraw/zinc/22/48/45/893224845.db2.gz GLXHSWMYLNFRNM-ZJUUUORDSA-N 1 0 290.327 -1.253 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001490836566 893224953 /nfs/dbraw/zinc/22/49/53/893224953.db2.gz NEJPDCIDEQMMEK-QWRGUYRKSA-N 1 0 296.371 -1.009 20 30 CAEDRO CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001490902222 893225573 /nfs/dbraw/zinc/22/55/73/893225573.db2.gz LMWXGDLQIKFKMC-KYZUINATSA-N 1 0 295.343 -1.626 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001490994894 893226728 /nfs/dbraw/zinc/22/67/28/893226728.db2.gz MNUYLXYUKGTBDJ-DTORHVGOSA-N 1 0 276.300 -1.100 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001490922892 893226960 /nfs/dbraw/zinc/22/69/60/893226960.db2.gz UTQMMIJGRCDRIS-OPRDCNLKSA-N 1 0 250.302 -1.072 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001490995288 893227848 /nfs/dbraw/zinc/22/78/48/893227848.db2.gz SULVHZFHJVYCQJ-AXFHLTTASA-N 1 0 296.327 -1.722 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C1 ZINC001491011823 893230654 /nfs/dbraw/zinc/23/06/54/893230654.db2.gz MLIFTPPJLWSXCG-AOOOYVTPSA-N 1 0 292.343 -1.032 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001491059746 893230798 /nfs/dbraw/zinc/23/07/98/893230798.db2.gz ZCJDWPQEKZARSN-LPEHRKFASA-N 1 0 273.358 -1.206 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491042046 893232586 /nfs/dbraw/zinc/23/25/86/893232586.db2.gz LOWCIUWBSQFNLA-BBBLOLIVSA-N 1 0 295.343 -1.626 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001491069337 893235338 /nfs/dbraw/zinc/23/53/38/893235338.db2.gz IWPYANPQCRSFNT-DTORHVGOSA-N 1 0 291.315 -1.776 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001491361746 893264096 /nfs/dbraw/zinc/26/40/96/893264096.db2.gz UIQVJITVOQQTKX-UHFFFAOYSA-N 1 0 281.316 -1.872 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001491405847 893268659 /nfs/dbraw/zinc/26/86/59/893268659.db2.gz NHOGWEILQMNQJY-VIFPVBQESA-N 1 0 291.373 -1.573 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)CS(C)(=O)=O ZINC001491405846 893268855 /nfs/dbraw/zinc/26/88/55/893268855.db2.gz NHOGWEILQMNQJY-SECBINFHSA-N 1 0 291.373 -1.573 20 30 CAEDRO C[C@@H](CNC(=O)CCn1cncn1)[NH2+]CC(=O)NCC#N ZINC001491391735 893270125 /nfs/dbraw/zinc/27/01/25/893270125.db2.gz FTSOOQVECROZNI-JTQLQIEISA-N 1 0 293.331 -1.598 20 30 CAEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001491539039 893290848 /nfs/dbraw/zinc/29/08/48/893290848.db2.gz PHRWJZGFMWFMNG-SECBINFHSA-N 1 0 278.378 -1.289 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001491413940 893273044 /nfs/dbraw/zinc/27/30/44/893273044.db2.gz HTJNZGCMANSNLW-MRVPVSSYSA-N 1 0 272.305 -1.522 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC(N)=O ZINC001491416974 893273914 /nfs/dbraw/zinc/27/39/14/893273914.db2.gz CFUVIQQDJGFWFG-DTWKUNHWSA-N 1 0 270.333 -1.353 20 30 CAEDRO C[C@@H](CNC(=O)c1ccnn1C)[NH2+]CC(=O)NCC#N ZINC001491409084 893274150 /nfs/dbraw/zinc/27/41/50/893274150.db2.gz BRHPDVPSIDLDQT-VIFPVBQESA-N 1 0 278.316 -1.232 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001491463112 893276048 /nfs/dbraw/zinc/27/60/48/893276048.db2.gz MMYOLDDZYNQZOF-QMMMGPOBSA-N 1 0 266.305 -1.343 20 30 CAEDRO C#CCC[NH2+][C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001491462268 893276816 /nfs/dbraw/zinc/27/68/16/893276816.db2.gz JKFLSBBVDUVBRE-SECBINFHSA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445259 893276965 /nfs/dbraw/zinc/27/69/65/893276965.db2.gz SYQZBQAJZIEWMJ-ZJUUUORDSA-N 1 0 292.343 -1.339 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001491445258 893277589 /nfs/dbraw/zinc/27/75/89/893277589.db2.gz SYQZBQAJZIEWMJ-VHSXEESVSA-N 1 0 292.343 -1.339 20 30 CAEDRO C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]CC(=O)NCC#N ZINC001491454983 893277777 /nfs/dbraw/zinc/27/77/77/893277777.db2.gz NHMCGKZFWNGTGQ-WDEREUQCSA-N 1 0 298.343 -1.474 20 30 CAEDRO C#CCC[NH2+][C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001491468860 893277824 /nfs/dbraw/zinc/27/78/24/893277824.db2.gz AAJRZFWATJPZPU-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C[C@@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]CC(=O)NCC#N ZINC001491454982 893278031 /nfs/dbraw/zinc/27/80/31/893278031.db2.gz NHMCGKZFWNGTGQ-QWRGUYRKSA-N 1 0 298.343 -1.474 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001491485561 893279945 /nfs/dbraw/zinc/27/99/45/893279945.db2.gz PUEGXDSIAXWYHJ-SFYZADRCSA-N 1 0 254.290 -1.135 20 30 CAEDRO C[C@H](CNC(=O)c1csnn1)[NH2+]CC(=O)NCC#N ZINC001491539120 893289140 /nfs/dbraw/zinc/28/91/40/893289140.db2.gz HTEMMNVLBHIJIZ-SSDOTTSWSA-N 1 0 282.329 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001491545447 893290349 /nfs/dbraw/zinc/29/03/49/893290349.db2.gz BRBCKPLZUABWJR-VHSXEESVSA-N 1 0 280.328 -2.034 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001491556692 893292340 /nfs/dbraw/zinc/29/23/40/893292340.db2.gz YLQWLNWICSUCAD-VIFPVBQESA-N 1 0 266.305 -1.432 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1nnn(C)n1 ZINC001491556689 893292784 /nfs/dbraw/zinc/29/27/84/893292784.db2.gz YLQWLNWICSUCAD-SECBINFHSA-N 1 0 266.305 -1.432 20 30 CAEDRO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)[NH2+]CC(=O)NCC#N ZINC001491569967 893293712 /nfs/dbraw/zinc/29/37/12/893293712.db2.gz WOPFGTCKLJYOOG-QMMMGPOBSA-N 1 0 294.315 -1.527 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001491593498 893297985 /nfs/dbraw/zinc/29/79/85/893297985.db2.gz VXJAYWAPNFIYIX-SFYZADRCSA-N 1 0 254.290 -1.135 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001491591484 893298060 /nfs/dbraw/zinc/29/80/60/893298060.db2.gz DGIQVLSWIDJFQW-JTQLQIEISA-N 1 0 290.389 -1.500 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001491589002 893298091 /nfs/dbraw/zinc/29/80/91/893298091.db2.gz FBPREMBXVZQYQO-IUCAKERBSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001491615154 893298147 /nfs/dbraw/zinc/29/81/47/893298147.db2.gz TYYOBHRXEHCILU-SNVBAGLBSA-N 1 0 278.312 -1.346 20 30 CAEDRO COCC#CC[NH2+][C@H](C)CNC(=O)CCNC(N)=O ZINC001491664525 893303528 /nfs/dbraw/zinc/30/35/28/893303528.db2.gz KQKGHWLSWNMYHL-SNVBAGLBSA-N 1 0 270.333 -1.211 20 30 CAEDRO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]CC#CCOC ZINC001491675254 893305531 /nfs/dbraw/zinc/30/55/31/893305531.db2.gz CGPASYBGBAHVQE-JTQLQIEISA-N 1 0 291.373 -1.720 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491725254 893308784 /nfs/dbraw/zinc/30/87/84/893308784.db2.gz IRUFYKNWQHQFLA-ZJUUUORDSA-N 1 0 296.327 -1.590 20 30 CAEDRO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]CC#CCOC ZINC001491675255 893309240 /nfs/dbraw/zinc/30/92/40/893309240.db2.gz CGPASYBGBAHVQE-SNVBAGLBSA-N 1 0 291.373 -1.720 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001491676103 893309309 /nfs/dbraw/zinc/30/93/09/893309309.db2.gz VIMUEFPIWJQMGE-RKDXNWHRSA-N 1 0 259.331 -1.594 20 30 CAEDRO COCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491778103 893310244 /nfs/dbraw/zinc/31/02/44/893310244.db2.gz NVCNEHQXTMYFCT-SNVBAGLBSA-N 1 0 268.317 -1.289 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491790114 893310178 /nfs/dbraw/zinc/31/01/78/893310178.db2.gz AMWYDMKVEZPYLN-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001491792417 893311613 /nfs/dbraw/zinc/31/16/13/893311613.db2.gz UIHINSOXVRALNH-LLVKDONJSA-N 1 0 267.329 -1.050 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001491848378 893315663 /nfs/dbraw/zinc/31/56/63/893315663.db2.gz VAHOYDHNMIFHDP-LLVKDONJSA-N 1 0 292.339 -1.048 20 30 CAEDRO C[C@H](CCNC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001492037600 893322571 /nfs/dbraw/zinc/32/25/71/893322571.db2.gz VFZLZKNWWKHNCX-SECBINFHSA-N 1 0 297.359 -1.378 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001492012269 893322342 /nfs/dbraw/zinc/32/23/42/893322342.db2.gz GWRJSVHZZLDIPC-UWVGGRQHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001492092509 893322410 /nfs/dbraw/zinc/32/24/10/893322410.db2.gz UDDOHTFOYQPEMM-JTQLQIEISA-N 1 0 292.339 -1.185 20 30 CAEDRO C[C@@H](CCNC(=O)c1cnn(C)n1)[NH2+]CC(=O)NCC#N ZINC001492096328 893323385 /nfs/dbraw/zinc/32/33/85/893323385.db2.gz BAPZOABQTFVLFE-VIFPVBQESA-N 1 0 293.331 -1.447 20 30 CAEDRO C[C@H](CCNC(=O)c1cnn(C)n1)[NH2+]CC(=O)NCC#N ZINC001492096327 893324165 /nfs/dbraw/zinc/32/41/65/893324165.db2.gz BAPZOABQTFVLFE-SECBINFHSA-N 1 0 293.331 -1.447 20 30 CAEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001492047119 893324388 /nfs/dbraw/zinc/32/43/88/893324388.db2.gz MSDYULHEBQFRQL-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CS(=O)(=O)NC ZINC001492126331 893326512 /nfs/dbraw/zinc/32/65/12/893326512.db2.gz BBWYJUKNKSMYIG-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001492217418 893337496 /nfs/dbraw/zinc/33/74/96/893337496.db2.gz PQSOOCMXMJCSPC-SECBINFHSA-N 1 0 281.316 -1.254 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001492284635 893340511 /nfs/dbraw/zinc/34/05/11/893340511.db2.gz CXHLGKZVTPJDLT-UHFFFAOYSA-N 1 0 297.355 -1.457 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001492443863 893352247 /nfs/dbraw/zinc/35/22/47/893352247.db2.gz CKCAANLMFYTYFO-NSHDSACASA-N 1 0 282.344 -1.562 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001492812712 893355014 /nfs/dbraw/zinc/35/50/14/893355014.db2.gz IJHWWQLCQZTPIU-UHFFFAOYSA-N 1 0 266.301 -1.438 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001492817463 893359915 /nfs/dbraw/zinc/35/99/15/893359915.db2.gz OLSMXUKXGUVUAS-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001492848432 893362481 /nfs/dbraw/zinc/36/24/81/893362481.db2.gz AVJXSDIUZOXUKT-UHFFFAOYSA-N 1 0 261.285 -1.130 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001493031044 893374665 /nfs/dbraw/zinc/37/46/65/893374665.db2.gz ZOVWUYOWRFDHIK-UHFFFAOYSA-N 1 0 294.311 -1.522 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001493189255 893379939 /nfs/dbraw/zinc/37/99/39/893379939.db2.gz IRHWQVSVPRIVPP-SNVBAGLBSA-N 1 0 280.328 -1.951 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493229784 893381855 /nfs/dbraw/zinc/38/18/55/893381855.db2.gz JMOFDPAZTBQPIP-VHSXEESVSA-N 1 0 282.344 -1.400 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493228925 893383398 /nfs/dbraw/zinc/38/33/98/893383398.db2.gz FBBJXYMLDKFCAY-SECBINFHSA-N 1 0 268.317 -1.788 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493228941 893386510 /nfs/dbraw/zinc/38/65/10/893386510.db2.gz FBBJXYMLDKFCAY-VIFPVBQESA-N 1 0 268.317 -1.788 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001493253350 893390108 /nfs/dbraw/zinc/39/01/08/893390108.db2.gz QMIYNCAMUCRLLR-LLVKDONJSA-N 1 0 292.339 -1.000 20 30 CAEDRO C#CC[N@H+](CCC)CCNC(=O)CN1C(=O)CNC1=O ZINC001493340208 893393858 /nfs/dbraw/zinc/39/38/58/893393858.db2.gz CVOLIEZCDUEVOS-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO COCC#CC[N@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001493373226 893396530 /nfs/dbraw/zinc/39/65/30/893396530.db2.gz YUCIZROOSYAOJW-UHFFFAOYSA-N 1 0 292.343 -1.097 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cc[nH]n1 ZINC001493483910 893399054 /nfs/dbraw/zinc/39/90/54/893399054.db2.gz NJGGEJHMWMPLEC-UHFFFAOYSA-N 1 0 264.289 -1.289 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001493500171 893399110 /nfs/dbraw/zinc/39/91/10/893399110.db2.gz MOXZPXDSFHJJGL-IUCAKERBSA-N 1 0 266.301 -1.001 20 30 CAEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001493500170 893401631 /nfs/dbraw/zinc/40/16/31/893401631.db2.gz MOXZPXDSFHJJGL-DTWKUNHWSA-N 1 0 266.301 -1.001 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1cc[nH]n1 ZINC001493503890 893401868 /nfs/dbraw/zinc/40/18/68/893401868.db2.gz WXFIIJGJCCQRCJ-UHFFFAOYSA-N 1 0 277.328 -1.250 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)CCc1nnc[nH]1 ZINC001493513456 893403653 /nfs/dbraw/zinc/40/36/53/893403653.db2.gz KHIUYLXKAJSUDF-UHFFFAOYSA-N 1 0 292.343 -1.465 20 30 CAEDRO CC#CC[NH2+]CCN(C)C(=O)CCS(=O)(=O)NC ZINC001493547571 893403706 /nfs/dbraw/zinc/40/37/06/893403706.db2.gz VCAJDDXHUYWLCI-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001493576236 893405628 /nfs/dbraw/zinc/40/56/28/893405628.db2.gz ACHQHWKGHYZQQH-JTQLQIEISA-N 1 0 296.327 -1.718 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cnnn1C ZINC001493533105 893405827 /nfs/dbraw/zinc/40/58/27/893405827.db2.gz HCDOWIJICXJRMG-UHFFFAOYSA-N 1 0 280.332 -1.221 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001493654559 893407190 /nfs/dbraw/zinc/40/71/90/893407190.db2.gz FAMRYHDGFRKMCU-SNVBAGLBSA-N 1 0 295.343 -2.193 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)N1C ZINC001493656252 893411187 /nfs/dbraw/zinc/41/11/87/893411187.db2.gz ICNYUVABJFDCOX-JTQLQIEISA-N 1 0 295.343 -1.705 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001493779204 893413860 /nfs/dbraw/zinc/41/38/60/893413860.db2.gz NQJUFKVJHMFCFJ-UHFFFAOYSA-N 1 0 261.347 -1.441 20 30 CAEDRO C#CCC[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001493786877 893414915 /nfs/dbraw/zinc/41/49/15/893414915.db2.gz FUGLTJWDCSFVRC-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C=CCn1cc(C(=O)N(C)CC[NH2+]CC(=O)NC)nn1 ZINC001493720944 893415188 /nfs/dbraw/zinc/41/51/88/893415188.db2.gz OEAAQDHQBSBIIA-UHFFFAOYSA-N 1 0 280.332 -1.128 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1nc[nH]n1 ZINC001493735977 893415222 /nfs/dbraw/zinc/41/52/22/893415222.db2.gz YGXVYIUCTPGRIV-UHFFFAOYSA-N 1 0 265.277 -1.894 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1nc[nH]n1 ZINC001493735635 893415573 /nfs/dbraw/zinc/41/55/73/893415573.db2.gz RHFAHUSLBPRMSG-SECBINFHSA-N 1 0 278.316 -1.396 20 30 CAEDRO C#CC[NH2+]CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001493791933 893418840 /nfs/dbraw/zinc/41/88/40/893418840.db2.gz UJELLWQEUIFUBO-UHFFFAOYSA-N 1 0 251.286 -1.183 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001494158221 893425465 /nfs/dbraw/zinc/42/54/65/893425465.db2.gz XTRHUNKAVQQZEY-MNOVXSKESA-N 1 0 294.355 -1.610 20 30 CAEDRO N#CCNC(=O)CN1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001494736837 893457500 /nfs/dbraw/zinc/45/75/00/893457500.db2.gz ZHYQGFNFBIUKNH-LBPRGKRZSA-N 1 0 293.371 -1.088 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)NC(N)=O ZINC001494972609 893464551 /nfs/dbraw/zinc/46/45/51/893464551.db2.gz WNJRQXCFUIDYIY-UWVGGRQHSA-N 1 0 297.359 -1.723 20 30 CAEDRO CC[C@@H](CNC(=O)Cn1cnnn1)[NH2+]CC(=O)NCC#N ZINC001494937664 893465717 /nfs/dbraw/zinc/46/57/17/893465717.db2.gz HZEQUBXRCAUUPR-VIFPVBQESA-N 1 0 294.319 -2.203 20 30 CAEDRO CC[C@H](CNC(=O)Cn1cnnn1)[NH2+]CC(=O)NCC#N ZINC001494937658 893466125 /nfs/dbraw/zinc/46/61/25/893466125.db2.gz HZEQUBXRCAUUPR-SECBINFHSA-N 1 0 294.319 -2.203 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC(=O)N1 ZINC001494947111 893466359 /nfs/dbraw/zinc/46/63/59/893466359.db2.gz BEXTUARXJZDRDS-WDEREUQCSA-N 1 0 294.355 -1.501 20 30 CAEDRO CC[C@H](CNC(=O)Cn1ncnn1)[NH2+]CC#CCOC ZINC001494981803 893468043 /nfs/dbraw/zinc/46/80/43/893468043.db2.gz TWHYNZBTZILKPC-LLVKDONJSA-N 1 0 280.332 -1.193 20 30 CAEDRO CC[C@@H](CNC(=O)c1cn[nH]n1)[NH2+]CC(=O)NCC#N ZINC001495014567 893468345 /nfs/dbraw/zinc/46/83/45/893468345.db2.gz XTOMLOKVWCXCSE-QMMMGPOBSA-N 1 0 279.304 -1.458 20 30 CAEDRO C#CC[NH2+][C@H](CC)CNC(=O)CN(C)S(C)(=O)=O ZINC001494987671 893470092 /nfs/dbraw/zinc/47/00/92/893470092.db2.gz JBMVEDRKGFMODZ-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C(N)=O ZINC001495052585 893471251 /nfs/dbraw/zinc/47/12/51/893471251.db2.gz ZMQXHRRYCIJCQQ-MRVPVSSYSA-N 1 0 256.306 -1.742 20 30 CAEDRO CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]CC(=O)NCC#N ZINC001495060784 893473522 /nfs/dbraw/zinc/47/35/22/893473522.db2.gz RDPAIZQBQMHNTL-BBBLOLIVSA-N 1 0 295.343 -1.768 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001495575689 893482966 /nfs/dbraw/zinc/48/29/66/893482966.db2.gz BWMJKGQRHVIVJQ-VHSXEESVSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001495717316 893486103 /nfs/dbraw/zinc/48/61/03/893486103.db2.gz MMOODCMVGBVEAH-UWVGGRQHSA-N 1 0 252.318 -1.015 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001495730478 893487853 /nfs/dbraw/zinc/48/78/53/893487853.db2.gz KGSHMHWJWDAWDJ-JTQLQIEISA-N 1 0 294.355 -1.657 20 30 CAEDRO C[C@@H](CNC(=O)Cc1c[nH]cn1)C[NH2+]CC(=O)NCC#N ZINC001495749119 893489657 /nfs/dbraw/zinc/48/96/57/893489657.db2.gz UNRLRHPFKHAWGJ-SNVBAGLBSA-N 1 0 292.343 -1.066 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCS(=O)(=O)NC ZINC001496053855 893501923 /nfs/dbraw/zinc/50/19/23/893501923.db2.gz CQTIAVGJTLGDRL-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CNC(=O)CC ZINC001496020062 893503192 /nfs/dbraw/zinc/50/31/92/893503192.db2.gz KUMRGGUGZAGWGC-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC(N)=O ZINC001496026179 893503476 /nfs/dbraw/zinc/50/34/76/893503476.db2.gz NVIZFTAFMCMXOZ-SECBINFHSA-N 1 0 270.333 -1.400 20 30 CAEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CNS(=O)(=O)NC ZINC001496127478 893507660 /nfs/dbraw/zinc/50/76/60/893507660.db2.gz IVHGPEVKRHUAQE-VIFPVBQESA-N 1 0 276.362 -1.890 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001496171411 893509405 /nfs/dbraw/zinc/50/94/05/893509405.db2.gz RBVDLPCGJBCSGV-NXEZZACHSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001496367890 893516728 /nfs/dbraw/zinc/51/67/28/893516728.db2.gz FKFVHQTVRVMAME-MNOVXSKESA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)C(N)=O ZINC001496285623 893516989 /nfs/dbraw/zinc/51/69/89/893516989.db2.gz GCCWECTZGPGJSE-JTQLQIEISA-N 1 0 282.344 -1.658 20 30 CAEDRO C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001496484641 893521214 /nfs/dbraw/zinc/52/12/14/893521214.db2.gz XLJFILUMDONHPH-NXEZZACHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1C[NH2+]CC(=O)NCC#N ZINC001496484663 893522093 /nfs/dbraw/zinc/52/20/93/893522093.db2.gz XLJFILUMDONHPH-ZJUUUORDSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001496750959 893532001 /nfs/dbraw/zinc/53/20/01/893532001.db2.gz PCUPCBWZSZNICL-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnccn1 ZINC001496926730 893543444 /nfs/dbraw/zinc/54/34/44/893543444.db2.gz ANQMFBXIPNGHLT-LLVKDONJSA-N 1 0 278.312 -1.193 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C)on1 ZINC001496939142 893546694 /nfs/dbraw/zinc/54/66/94/893546694.db2.gz OHDSCUICXUVMJD-SNVBAGLBSA-N 1 0 294.311 -1.587 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001496937912 893547089 /nfs/dbraw/zinc/54/70/89/893547089.db2.gz IVGSAOXVRUBSES-ZJUUUORDSA-N 1 0 284.316 -2.128 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1cccn1 ZINC001496937903 893547318 /nfs/dbraw/zinc/54/73/18/893547318.db2.gz UDSUZLOSGLJWOG-NSHDSACASA-N 1 0 250.302 -1.027 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cccn1 ZINC001496937902 893547652 /nfs/dbraw/zinc/54/76/52/893547652.db2.gz UDSUZLOSGLJWOG-LLVKDONJSA-N 1 0 250.302 -1.027 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001496937911 893548357 /nfs/dbraw/zinc/54/83/57/893548357.db2.gz IVGSAOXVRUBSES-VHSXEESVSA-N 1 0 284.316 -2.128 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccnn1C ZINC001496948261 893550838 /nfs/dbraw/zinc/55/08/38/893550838.db2.gz CNTVNASCTWMQBI-SNVBAGLBSA-N 1 0 295.343 -1.597 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001496946752 893552509 /nfs/dbraw/zinc/55/25/09/893552509.db2.gz TYRQZAXIUXSDIQ-WDEREUQCSA-N 1 0 256.302 -1.508 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCCS(C)(=O)=O ZINC001496955099 893555541 /nfs/dbraw/zinc/55/55/41/893555541.db2.gz NDHZBDOSOXFLDU-UWVGGRQHSA-N 1 0 291.373 -1.353 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001496955588 893556007 /nfs/dbraw/zinc/55/60/07/893556007.db2.gz RBZXTQCEPNBWHA-BDAKNGLRSA-N 1 0 267.289 -2.147 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)COC ZINC001496951403 893558254 /nfs/dbraw/zinc/55/82/54/893558254.db2.gz VOCQWSNYWFKYAF-NEPJUHHUSA-N 1 0 272.345 -1.015 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001496955590 893558918 /nfs/dbraw/zinc/55/89/18/893558918.db2.gz RBZXTQCEPNBWHA-IUCAKERBSA-N 1 0 267.289 -2.147 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)CC ZINC001496955269 893559865 /nfs/dbraw/zinc/55/98/65/893559865.db2.gz NKYPXFMXUDSDEE-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001496961718 893561129 /nfs/dbraw/zinc/56/11/29/893561129.db2.gz QOAJWBSQOAVZHX-RYUDHWBXSA-N 1 0 269.345 -1.593 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001496961716 893563208 /nfs/dbraw/zinc/56/32/08/893563208.db2.gz QOAJWBSQOAVZHX-NEPJUHHUSA-N 1 0 269.345 -1.593 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C1CC1 ZINC001496960536 893563369 /nfs/dbraw/zinc/56/33/69/893563369.db2.gz KYTKJRRCWSGCGS-ZYHUDNBSSA-N 1 0 281.356 -1.151 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C1CC1 ZINC001496960533 893565085 /nfs/dbraw/zinc/56/50/85/893565085.db2.gz KYTKJRRCWSGCGS-CMPLNLGQSA-N 1 0 281.356 -1.151 20 30 CAEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001496976890 893566452 /nfs/dbraw/zinc/56/64/52/893566452.db2.gz ICBCTXHLELOWSV-LLVKDONJSA-N 1 0 269.345 -1.199 20 30 CAEDRO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496978085 893566605 /nfs/dbraw/zinc/56/66/05/893566605.db2.gz VRRBEYFQOBHGIC-NSHDSACASA-N 1 0 295.343 -1.372 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001496979313 893567017 /nfs/dbraw/zinc/56/70/17/893567017.db2.gz GPQYQTOOSQJXHO-LLVKDONJSA-N 1 0 295.343 -1.628 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496983960 893570692 /nfs/dbraw/zinc/57/06/92/893570692.db2.gz YMWIOSNASANPHL-WCQYABFASA-N 1 0 291.351 -1.396 20 30 CAEDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496983986 893570779 /nfs/dbraw/zinc/57/07/79/893570779.db2.gz YQLDDDKCDFYOEG-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)N1CCCC1 ZINC001496980078 893571259 /nfs/dbraw/zinc/57/12/59/893571259.db2.gz CKFZGHVBNOWPEP-GFCCVEGCSA-N 1 0 296.371 -1.118 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001496983964 893571438 /nfs/dbraw/zinc/57/14/38/893571438.db2.gz YMWIOSNASANPHL-YPMHNXCESA-N 1 0 291.351 -1.396 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)NC(N)=O ZINC001496985004 893572035 /nfs/dbraw/zinc/57/20/35/893572035.db2.gz SCFAAXLBTUUWQU-NXEZZACHSA-N 1 0 270.333 -1.477 20 30 CAEDRO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496980106 893573071 /nfs/dbraw/zinc/57/30/71/893573071.db2.gz MCRVTBNONBSCAG-LLVKDONJSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001496980063 893573433 /nfs/dbraw/zinc/57/34/33/893573433.db2.gz LSLLUHPOXVSSPV-SNVBAGLBSA-N 1 0 265.317 -1.254 20 30 CAEDRO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001496980430 893573608 /nfs/dbraw/zinc/57/36/08/893573608.db2.gz OXPNJUITHAXTNQ-JTQLQIEISA-N 1 0 253.302 -1.788 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001496979884 893574345 /nfs/dbraw/zinc/57/43/45/893574345.db2.gz KUKOIHSFOKJWDW-NXEZZACHSA-N 1 0 295.343 -1.219 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)NC(N)=O ZINC001496985006 893574913 /nfs/dbraw/zinc/57/49/13/893574913.db2.gz SCFAAXLBTUUWQU-VHSXEESVSA-N 1 0 270.333 -1.477 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001497004945 893576713 /nfs/dbraw/zinc/57/67/13/893576713.db2.gz KZOHRPBUCOMVJT-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001497010882 893580410 /nfs/dbraw/zinc/58/04/10/893580410.db2.gz MWCORCKFLKJZKP-GFCCVEGCSA-N 1 0 296.371 -2.150 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001497006971 893580535 /nfs/dbraw/zinc/58/05/35/893580535.db2.gz VWKLVKPMPQPHCB-VIFPVBQESA-N 1 0 267.289 -1.865 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001497006599 893581892 /nfs/dbraw/zinc/58/18/92/893581892.db2.gz SRVMZXJSIGTLPV-RKDXNWHRSA-N 1 0 296.331 -1.824 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001497018654 893582394 /nfs/dbraw/zinc/58/23/94/893582394.db2.gz TVWRXWHYQPKSGM-JTQLQIEISA-N 1 0 276.300 -1.009 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001497008439 893582849 /nfs/dbraw/zinc/58/28/49/893582849.db2.gz AOFYSIQMYQVALM-NXEZZACHSA-N 1 0 293.327 -1.754 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001497032661 893585296 /nfs/dbraw/zinc/58/52/96/893585296.db2.gz LKPFHDRKBWUKIG-VIFPVBQESA-N 1 0 251.290 -1.183 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCn1ncn(C)c1=O ZINC001497025911 893586051 /nfs/dbraw/zinc/58/60/51/893586051.db2.gz VNFKEUVBIWHNCR-NSHDSACASA-N 1 0 295.343 -1.938 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001497029126 893586570 /nfs/dbraw/zinc/58/65/70/893586570.db2.gz LHOYXYUWPFHNQI-LLVKDONJSA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001497025988 893586740 /nfs/dbraw/zinc/58/67/40/893586740.db2.gz XDYPUYQKMJWNCL-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001497047656 893587935 /nfs/dbraw/zinc/58/79/35/893587935.db2.gz OKFIXJMJSDTXDE-MRVPVSSYSA-N 1 0 254.290 -1.008 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC(C)(F)F ZINC001497046357 893588204 /nfs/dbraw/zinc/58/82/04/893588204.db2.gz JJHAWWOGFDUCHC-SECBINFHSA-N 1 0 291.298 -1.152 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001497039493 893588686 /nfs/dbraw/zinc/58/86/86/893588686.db2.gz HNSDAGFUWTXBST-AAEUAGOBSA-N 1 0 288.319 -1.169 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001497047660 893589130 /nfs/dbraw/zinc/58/91/30/893589130.db2.gz OKFIXJMJSDTXDE-QMMMGPOBSA-N 1 0 254.290 -1.008 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001497039944 893589798 /nfs/dbraw/zinc/58/97/98/893589798.db2.gz JXYXZPDJRFHJDF-NXEZZACHSA-N 1 0 253.302 -1.693 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001497035319 893590286 /nfs/dbraw/zinc/59/02/86/893590286.db2.gz VBLRGXJKXKRRDJ-ZJUUUORDSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001497035309 893590352 /nfs/dbraw/zinc/59/03/52/893590352.db2.gz UWOXTLADKNGHNT-DTWKUNHWSA-N 1 0 256.306 -1.737 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001497039494 893591291 /nfs/dbraw/zinc/59/12/91/893591291.db2.gz HNSDAGFUWTXBST-DGCLKSJQSA-N 1 0 288.319 -1.169 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001497060787 893592085 /nfs/dbraw/zinc/59/20/85/893592085.db2.gz DGXGHIQTTHOFKM-ZJUUUORDSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001497060786 893592801 /nfs/dbraw/zinc/59/28/01/893592801.db2.gz DGXGHIQTTHOFKM-VHSXEESVSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001497052998 893594045 /nfs/dbraw/zinc/59/40/45/893594045.db2.gz GHUJMJDELPFWMJ-GFCCVEGCSA-N 1 0 293.367 -1.007 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001497063663 893594938 /nfs/dbraw/zinc/59/49/38/893594938.db2.gz NSPSDUKPOSWXTN-UWVGGRQHSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001497060785 893595429 /nfs/dbraw/zinc/59/54/29/893595429.db2.gz DGXGHIQTTHOFKM-UWVGGRQHSA-N 1 0 291.373 -1.986 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001497063665 893596224 /nfs/dbraw/zinc/59/62/24/893596224.db2.gz NSPSDUKPOSWXTN-ZJUUUORDSA-N 1 0 291.373 -1.986 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001497071755 893596458 /nfs/dbraw/zinc/59/64/58/893596458.db2.gz YGGOHDYYCOAIHK-SECBINFHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001497071757 893597057 /nfs/dbraw/zinc/59/70/57/893597057.db2.gz YGGOHDYYCOAIHK-VIFPVBQESA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC=C)nn1 ZINC001497067773 893597659 /nfs/dbraw/zinc/59/76/59/893597659.db2.gz JNFUGEQPCUXIJT-SNVBAGLBSA-N 1 0 263.301 -1.222 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001497065980 893599522 /nfs/dbraw/zinc/59/95/22/893599522.db2.gz YRCZBACRQRKQHK-RYUDHWBXSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001497065979 893599619 /nfs/dbraw/zinc/59/96/19/893599619.db2.gz YRCZBACRQRKQHK-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nocc1C ZINC001497082182 893600804 /nfs/dbraw/zinc/60/08/04/893600804.db2.gz LDYVLPUFANEFFD-JTQLQIEISA-N 1 0 294.311 -1.587 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001497090459 893601767 /nfs/dbraw/zinc/60/17/67/893601767.db2.gz HFECEASWKZUGMQ-MNOVXSKESA-N 1 0 282.344 -1.381 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497090194 893601936 /nfs/dbraw/zinc/60/19/36/893601936.db2.gz BHOPLTMWWMLSIQ-VIFPVBQESA-N 1 0 251.290 -1.563 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001497090460 893602148 /nfs/dbraw/zinc/60/21/48/893602148.db2.gz HFECEASWKZUGMQ-QWRGUYRKSA-N 1 0 282.344 -1.381 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1nonc1C ZINC001497082814 893602169 /nfs/dbraw/zinc/60/21/69/893602169.db2.gz QYEYUTGIRPLSOQ-VIFPVBQESA-N 1 0 252.274 -1.380 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001497103210 893603942 /nfs/dbraw/zinc/60/39/42/893603942.db2.gz BGENLMGQKVBVSQ-NSHDSACASA-N 1 0 297.359 -1.467 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001497114271 893604535 /nfs/dbraw/zinc/60/45/35/893604535.db2.gz NRAWWBIRQQDJKX-LBPRGKRZSA-N 1 0 277.324 -1.062 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCO)nc1 ZINC001497097266 893605519 /nfs/dbraw/zinc/60/55/19/893605519.db2.gz UVNMUWRQHNOFRF-LLVKDONJSA-N 1 0 263.297 -1.265 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001497117679 893607517 /nfs/dbraw/zinc/60/75/17/893607517.db2.gz LAOZRGIUZOXOQG-OLZOCXBDSA-N 1 0 283.372 -1.203 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001497119649 893607943 /nfs/dbraw/zinc/60/79/43/893607943.db2.gz VWXABCLCBIDXRQ-VHSXEESVSA-N 1 0 276.358 -1.184 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001497117402 893608010 /nfs/dbraw/zinc/60/80/10/893608010.db2.gz FOFANIMEXXZJRH-NEPJUHHUSA-N 1 0 291.355 -1.070 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001497117681 893608168 /nfs/dbraw/zinc/60/81/68/893608168.db2.gz LAOZRGIUZOXOQG-STQMWFEESA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001497117403 893608392 /nfs/dbraw/zinc/60/83/92/893608392.db2.gz FOFANIMEXXZJRH-NWDGAFQWSA-N 1 0 291.355 -1.070 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001497126457 893608523 /nfs/dbraw/zinc/60/85/23/893608523.db2.gz MHTLMRPPVNLPIV-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cccnc1C(N)=O ZINC001497115654 893608720 /nfs/dbraw/zinc/60/87/20/893608720.db2.gz CLLPFWSQFVRVFT-JTQLQIEISA-N 1 0 290.323 -1.116 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001497117441 893608784 /nfs/dbraw/zinc/60/87/84/893608784.db2.gz GCJXJYQPONEUHC-VXGBXAGGSA-N 1 0 291.355 -1.151 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001497117405 893608980 /nfs/dbraw/zinc/60/89/80/893608980.db2.gz FOFANIMEXXZJRH-VXGBXAGGSA-N 1 0 291.355 -1.070 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001497117439 893609053 /nfs/dbraw/zinc/60/90/53/893609053.db2.gz GCJXJYQPONEUHC-NWDGAFQWSA-N 1 0 291.355 -1.151 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001497140839 893610363 /nfs/dbraw/zinc/61/03/63/893610363.db2.gz MVBUYXYOONIJER-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001497186822 893610316 /nfs/dbraw/zinc/61/03/16/893610316.db2.gz XCLYUXZBFRTMGB-NXEZZACHSA-N 1 0 255.318 -1.006 20 30 CAEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)Cn1cnnn1 ZINC001497141492 893610442 /nfs/dbraw/zinc/61/04/42/893610442.db2.gz LUCWBTPAWNJZBF-NSHDSACASA-N 1 0 280.332 -1.193 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001497186824 893610678 /nfs/dbraw/zinc/61/06/78/893610678.db2.gz XCLYUXZBFRTMGB-VHSXEESVSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]CC(N)=O ZINC001497186825 893610978 /nfs/dbraw/zinc/61/09/78/893610978.db2.gz XCLYUXZBFRTMGB-ZJUUUORDSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001497140842 893611015 /nfs/dbraw/zinc/61/10/15/893611015.db2.gz MVBUYXYOONIJER-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cnnn1C ZINC001497180480 893611189 /nfs/dbraw/zinc/61/11/89/893611189.db2.gz NTIFJRCWSHVDFJ-SNVBAGLBSA-N 1 0 292.343 -1.338 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001497181449 893611210 /nfs/dbraw/zinc/61/12/10/893611210.db2.gz RKJXOXNDTXLHJC-NXEZZACHSA-N 1 0 298.343 -1.119 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001497181458 893611213 /nfs/dbraw/zinc/61/12/13/893611213.db2.gz RKJXOXNDTXLHJC-VHSXEESVSA-N 1 0 298.343 -1.119 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001497181460 893611311 /nfs/dbraw/zinc/61/13/11/893611311.db2.gz RKJXOXNDTXLHJC-ZJUUUORDSA-N 1 0 298.343 -1.119 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001497210208 893613098 /nfs/dbraw/zinc/61/30/98/893613098.db2.gz ZMNWKSPIFVBRSJ-SNVBAGLBSA-N 1 0 296.371 -1.268 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001497210207 893613529 /nfs/dbraw/zinc/61/35/29/893613529.db2.gz ZMNWKSPIFVBRSJ-JTQLQIEISA-N 1 0 296.371 -1.268 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001497260650 893614020 /nfs/dbraw/zinc/61/40/20/893614020.db2.gz YBNPXIVTTDZUDL-NXEZZACHSA-N 1 0 297.359 -1.546 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CN(C)S(C)(=O)=O ZINC001497396330 893615213 /nfs/dbraw/zinc/61/52/13/893615213.db2.gz CZNYJQVPCDDNTE-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CC[NH2+]CCN(CC)C(=O)CNS(=O)(=O)CC ZINC001497398434 893617542 /nfs/dbraw/zinc/61/75/42/893617542.db2.gz WUZQYKWXNIVXDX-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)C(N)=O ZINC001497447551 893619242 /nfs/dbraw/zinc/61/92/42/893619242.db2.gz NVDFXDSIILKOAC-SECBINFHSA-N 1 0 270.333 -1.400 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)CC(N)=O ZINC001497550713 893622933 /nfs/dbraw/zinc/62/29/33/893622933.db2.gz NXZDTAVTIJXWLK-LWTINBJPSA-N 1 0 280.328 -1.738 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CNC(C)=O ZINC001497775921 893629723 /nfs/dbraw/zinc/62/97/23/893629723.db2.gz IBFYHUFJKXXZED-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001497770245 893629835 /nfs/dbraw/zinc/62/98/35/893629835.db2.gz KWYFVBDUUWXLHW-HMDXOVGESA-N 1 0 263.297 -1.066 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001497770247 893631068 /nfs/dbraw/zinc/63/10/68/893631068.db2.gz KWYFVBDUUWXLHW-XOULXFPDSA-N 1 0 263.297 -1.066 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001497693465 893631305 /nfs/dbraw/zinc/63/13/05/893631305.db2.gz WYLSYCXGEUJKQX-AATRIKPKSA-N 1 0 290.323 -1.407 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnns1 ZINC001497792635 893633390 /nfs/dbraw/zinc/63/33/90/893633390.db2.gz FQMRKNXQVQULLU-SSDOTTSWSA-N 1 0 282.329 -1.114 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001497792310 893633819 /nfs/dbraw/zinc/63/38/19/893633819.db2.gz VDKXQJNJDDXNRB-SECBINFHSA-N 1 0 263.301 -1.133 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 ZINC001497799626 893635983 /nfs/dbraw/zinc/63/59/83/893635983.db2.gz IVGOOXNUXIESQS-SECBINFHSA-N 1 0 278.316 -1.314 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001497862886 893639692 /nfs/dbraw/zinc/63/96/92/893639692.db2.gz IIDZEFFUQULNTF-SNVBAGLBSA-N 1 0 265.317 -1.301 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CNC(=O)N1 ZINC001497894889 893641510 /nfs/dbraw/zinc/64/15/10/893641510.db2.gz MMBCKEPTDOGNLD-SFYZADRCSA-N 1 0 282.304 -2.598 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001497927210 893642519 /nfs/dbraw/zinc/64/25/19/893642519.db2.gz SAHLPYQAYSDVOL-MRVPVSSYSA-N 1 0 280.284 -1.866 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCn1cnnn1 ZINC001497949954 893642784 /nfs/dbraw/zinc/64/27/84/893642784.db2.gz XBBNAFYKWGXQMX-SECBINFHSA-N 1 0 294.319 -2.203 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001497894128 893642810 /nfs/dbraw/zinc/64/28/10/893642810.db2.gz FINWWSSUTBWGGY-RKDXNWHRSA-N 1 0 283.332 -1.936 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCOC ZINC001498002562 893645386 /nfs/dbraw/zinc/64/53/86/893645386.db2.gz NYFWEVAZQDRXLF-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001498020634 893645105 /nfs/dbraw/zinc/64/51/05/893645105.db2.gz WGXLFQWLLOSMLR-JTQLQIEISA-N 1 0 276.358 -1.225 20 30 CAEDRO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001497985672 893645321 /nfs/dbraw/zinc/64/53/21/893645321.db2.gz GENYAVIBBPTKHD-SNVBAGLBSA-N 1 0 291.373 -1.720 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1nc[nH]n1 ZINC001497961748 893645605 /nfs/dbraw/zinc/64/56/05/893645605.db2.gz QTBFWLKURHIBSH-MRVPVSSYSA-N 1 0 279.304 -1.919 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001498040416 893649192 /nfs/dbraw/zinc/64/91/92/893649192.db2.gz LZVAKYZUMLTNGY-NSHDSACASA-N 1 0 291.355 -1.194 20 30 CAEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001498042229 893649753 /nfs/dbraw/zinc/64/97/53/893649753.db2.gz MGXVRRDXCFPAJL-VHSXEESVSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnnn1C ZINC001498038666 893649818 /nfs/dbraw/zinc/64/98/18/893649818.db2.gz SPQNNHSWOFZBMW-VHSXEESVSA-N 1 0 292.343 -1.339 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001498042766 893649854 /nfs/dbraw/zinc/64/98/54/893649854.db2.gz XENPCYNEHDVMSF-ZJUUUORDSA-N 1 0 297.359 -1.723 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001498078409 893652399 /nfs/dbraw/zinc/65/23/99/893652399.db2.gz VUOKWEOPWSNVOK-QMMMGPOBSA-N 1 0 264.351 -1.680 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001498065439 893652742 /nfs/dbraw/zinc/65/27/42/893652742.db2.gz SJLXLIJTXBSYRG-QMMMGPOBSA-N 1 0 264.289 -1.738 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1n[nH]cc1F ZINC001498106642 893653976 /nfs/dbraw/zinc/65/39/76/893653976.db2.gz RCOBZHXIHYFOGS-ZETCQYMHSA-N 1 0 282.279 -1.104 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001498091338 893654763 /nfs/dbraw/zinc/65/47/63/893654763.db2.gz UBLOZHKLUKEWQG-QWRGUYRKSA-N 1 0 296.371 -1.139 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001498091339 893655725 /nfs/dbraw/zinc/65/57/25/893655725.db2.gz UBLOZHKLUKEWQG-WDEREUQCSA-N 1 0 296.371 -1.139 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001498141332 893659568 /nfs/dbraw/zinc/65/95/68/893659568.db2.gz XFXVFMGQGBJJML-JTQLQIEISA-N 1 0 295.339 -1.217 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001498158963 893660842 /nfs/dbraw/zinc/66/08/42/893660842.db2.gz MPDFIROVMXRONE-VIFPVBQESA-N 1 0 280.332 -1.256 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001498139839 893661017 /nfs/dbraw/zinc/66/10/17/893661017.db2.gz ATQLKCWQUGAFPV-VIFPVBQESA-N 1 0 278.316 -1.728 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001498355595 893672340 /nfs/dbraw/zinc/67/23/40/893672340.db2.gz INMWLPBWWUBMSV-LLVKDONJSA-N 1 0 266.345 -1.512 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001498442862 893679937 /nfs/dbraw/zinc/67/99/37/893679937.db2.gz FXFLUOXLRGTWKJ-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001498493261 893682099 /nfs/dbraw/zinc/68/20/99/893682099.db2.gz YBJXYNICXNHJOP-WDEREUQCSA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(N)=O ZINC001498493260 893682415 /nfs/dbraw/zinc/68/24/15/893682415.db2.gz YBJXYNICXNHJOP-QWRGUYRKSA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001498618426 893684781 /nfs/dbraw/zinc/68/47/81/893684781.db2.gz DBFMCROMIODGNT-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1cnon1 ZINC001498628245 893685562 /nfs/dbraw/zinc/68/55/62/893685562.db2.gz SGVWYGVNHJHSQY-UHFFFAOYSA-N 1 0 280.288 -1.239 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001498618425 893685765 /nfs/dbraw/zinc/68/57/65/893685765.db2.gz DBFMCROMIODGNT-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)Cn1cncn1 ZINC001498648510 893686702 /nfs/dbraw/zinc/68/67/02/893686702.db2.gz NOVWCBZCQJGNRP-UHFFFAOYSA-N 1 0 293.331 -1.644 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001498814016 893692290 /nfs/dbraw/zinc/69/22/90/893692290.db2.gz HAODLMZVFNAITB-UWVGGRQHSA-N 1 0 250.302 -1.215 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001498814018 893693716 /nfs/dbraw/zinc/69/37/16/893693716.db2.gz HAODLMZVFNAITB-VHSXEESVSA-N 1 0 250.302 -1.215 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)NCC#N ZINC001498946324 893697237 /nfs/dbraw/zinc/69/72/37/893697237.db2.gz DYVOJMQBUYMEFP-NEPJUHHUSA-N 1 0 293.371 -1.089 20 30 CAEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC(=O)NCC#N ZINC001498946329 893697514 /nfs/dbraw/zinc/69/75/14/893697514.db2.gz DYVOJMQBUYMEFP-VXGBXAGGSA-N 1 0 293.371 -1.089 20 30 CAEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N ZINC001498946327 893697756 /nfs/dbraw/zinc/69/77/56/893697756.db2.gz DYVOJMQBUYMEFP-RYUDHWBXSA-N 1 0 293.371 -1.089 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001499183455 893709788 /nfs/dbraw/zinc/70/97/88/893709788.db2.gz WJSWECKOMMSTIO-MRVPVSSYSA-N 1 0 281.316 -1.160 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001499239819 893715254 /nfs/dbraw/zinc/71/52/54/893715254.db2.gz JMBMERUKODOOQS-UHFFFAOYSA-N 1 0 273.358 -1.251 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001499335544 893717268 /nfs/dbraw/zinc/71/72/68/893717268.db2.gz UYYFQUQXJXZDLP-SNVBAGLBSA-N 1 0 280.328 -1.444 20 30 CAEDRO CC#CC[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001499334438 893718673 /nfs/dbraw/zinc/71/86/73/893718673.db2.gz BYTQQEPRRCLWCU-SECBINFHSA-N 1 0 250.302 -1.071 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001499325045 893719321 /nfs/dbraw/zinc/71/93/21/893719321.db2.gz JKTZZAYIPCOWMC-PJXYFTJBSA-N 1 0 291.351 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)c2ncccn2)CC1 ZINC001499395920 893719422 /nfs/dbraw/zinc/71/94/22/893719422.db2.gz CYOJUOLOLWLYCA-UHFFFAOYSA-N 1 0 288.311 -1.032 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)CNC(C)=O ZINC001499905449 893724487 /nfs/dbraw/zinc/72/44/87/893724487.db2.gz PIBHXNCZGCMNIX-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001499920238 893727814 /nfs/dbraw/zinc/72/78/14/893727814.db2.gz BOWYCAJBAMSXQS-UWVGGRQHSA-N 1 0 280.328 -1.810 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500631289 893739229 /nfs/dbraw/zinc/73/92/29/893739229.db2.gz MGJBDGFOBDUFNV-LLVKDONJSA-N 1 0 266.305 -1.588 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001500627061 893739585 /nfs/dbraw/zinc/73/95/85/893739585.db2.gz GYTNUSHBCGWXFY-CQSZACIVSA-N 1 0 297.355 -1.675 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500677665 893745556 /nfs/dbraw/zinc/74/55/56/893745556.db2.gz OFVDDLVGBPYBEL-WCQYABFASA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001500663045 893745053 /nfs/dbraw/zinc/74/50/53/893745053.db2.gz JJLGWHBCFKVEHT-CQSZACIVSA-N 1 0 281.356 -1.495 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001500706595 893746501 /nfs/dbraw/zinc/74/65/01/893746501.db2.gz JLHRBZDNSSNNSP-BXUZGUMPSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001500663044 893746646 /nfs/dbraw/zinc/74/66/46/893746646.db2.gz JJLGWHBCFKVEHT-AWEZNQCLSA-N 1 0 281.356 -1.495 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001500706597 893747733 /nfs/dbraw/zinc/74/77/33/893747733.db2.gz JLHRBZDNSSNNSP-RISCZKNCSA-N 1 0 294.355 -1.414 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001500753739 893749406 /nfs/dbraw/zinc/74/94/06/893749406.db2.gz DWQUHKQLWZPOSI-FZMZJTMJSA-N 1 0 279.340 -1.159 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001500707813 893749643 /nfs/dbraw/zinc/74/96/43/893749643.db2.gz ZDHQTQOAVUBROL-GWCFXTLKSA-N 1 0 267.329 -1.139 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001500758394 893749893 /nfs/dbraw/zinc/74/98/93/893749893.db2.gz BNMNJNWREQXQGN-AWEZNQCLSA-N 1 0 290.323 -1.420 20 30 CAEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001500707814 893752396 /nfs/dbraw/zinc/75/23/96/893752396.db2.gz ZDHQTQOAVUBROL-GXFFZTMASA-N 1 0 267.329 -1.139 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001500717582 893752863 /nfs/dbraw/zinc/75/28/63/893752863.db2.gz BAZKSGPZMUSVEP-LBPRGKRZSA-N 1 0 269.301 -2.326 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001500758395 893753463 /nfs/dbraw/zinc/75/34/63/893753463.db2.gz BNMNJNWREQXQGN-CQSZACIVSA-N 1 0 290.323 -1.420 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@H]2C1 ZINC001501219536 893780597 /nfs/dbraw/zinc/78/05/97/893780597.db2.gz NPECKYXDTUCFEE-TXEJJXNPSA-N 1 0 299.396 -1.051 20 30 CAEDRO C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)COC)C[C@H]2C1 ZINC001501203125 893781635 /nfs/dbraw/zinc/78/16/35/893781635.db2.gz PNCUVXSQRMWWMF-TXEJJXNPSA-N 1 0 279.340 -1.228 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001501323737 893783360 /nfs/dbraw/zinc/78/33/60/893783360.db2.gz NFEGIHFHHHWUKF-GXTWGEPZSA-N 1 0 284.356 -1.040 20 30 CAEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)NC(C)=O ZINC001501433776 893794125 /nfs/dbraw/zinc/79/41/25/893794125.db2.gz PWCFVPPVZCZZER-LBPRGKRZSA-N 1 0 299.371 -1.429 20 30 CAEDRO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001501442788 893795784 /nfs/dbraw/zinc/79/57/84/893795784.db2.gz FPTKJVDRAVDJHZ-UWVGGRQHSA-N 1 0 296.327 -1.638 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN1CCN(C)C(=O)C1 ZINC001501468910 893804942 /nfs/dbraw/zinc/80/49/42/893804942.db2.gz CXROYDWWHGXBMT-UHFFFAOYSA-N 1 0 296.371 -2.196 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CC1CS(=O)(=O)C1 ZINC001501469340 893806389 /nfs/dbraw/zinc/80/63/89/893806389.db2.gz LFJCXOWNNKPZMO-UHFFFAOYSA-N 1 0 288.369 -1.535 20 30 CAEDRO C=C(Cl)C[NH2+]CCN(CCO)C(=O)c1nnn(C)n1 ZINC001501482441 893806873 /nfs/dbraw/zinc/80/68/73/893806873.db2.gz RZWNIULZZOFIQD-UHFFFAOYSA-N 1 0 288.739 -1.013 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)c1nnn(C)n1 ZINC001501481698 893806940 /nfs/dbraw/zinc/80/69/40/893806940.db2.gz DZISXGPPAWRNTR-UHFFFAOYSA-N 1 0 254.294 -1.580 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCN(C)C1=O ZINC001501484298 893807140 /nfs/dbraw/zinc/80/71/40/893807140.db2.gz LQQCUSHDIFREBC-NSHDSACASA-N 1 0 267.329 -1.492 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC12CC2 ZINC001501495385 893809925 /nfs/dbraw/zinc/80/99/25/893809925.db2.gz LANXRHMTFQKWQH-LLVKDONJSA-N 1 0 294.355 -1.163 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cn(C)c(=O)[nH]1 ZINC001501490625 893810771 /nfs/dbraw/zinc/81/07/71/893810771.db2.gz QXTJLJXMFYHBMS-UHFFFAOYSA-N 1 0 266.301 -1.217 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001501515017 893812253 /nfs/dbraw/zinc/81/22/53/893812253.db2.gz ULFQGRUXLFMFSF-JTQLQIEISA-N 1 0 291.373 -1.725 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001501710450 893823348 /nfs/dbraw/zinc/82/33/48/893823348.db2.gz LADOWPRIVIUQOS-MGCOHNPYSA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2=O)CCO1 ZINC001502058085 893833449 /nfs/dbraw/zinc/83/34/49/893833449.db2.gz LJPQBUOBAZTSHT-GFCCVEGCSA-N 1 0 295.339 -1.705 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001502051331 893836070 /nfs/dbraw/zinc/83/60/70/893836070.db2.gz NSQRCCOIQPYHEO-GWCFXTLKSA-N 1 0 285.344 -1.384 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001502081215 893841047 /nfs/dbraw/zinc/84/10/47/893841047.db2.gz MKQRISFWZICSMT-JTQLQIEISA-N 1 0 263.301 -1.121 20 30 CAEDRO C#CC[N@@H+](C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001502342514 893844962 /nfs/dbraw/zinc/84/49/62/893844962.db2.gz XSQMUNSBHKLFBO-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO C#CC[N@@H+](C)CCCN(C)C(=O)CNS(=O)(=O)NC ZINC001502357436 893845593 /nfs/dbraw/zinc/84/55/93/893845593.db2.gz VTTTWDLCXIUSAK-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C ZINC001502731295 893857770 /nfs/dbraw/zinc/85/77/70/893857770.db2.gz LTITVSMRBPMDAO-UWVGGRQHSA-N 1 0 288.373 -1.890 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1C ZINC001502724176 893857821 /nfs/dbraw/zinc/85/78/21/893857821.db2.gz ITTKZFMKMZONGC-JQWIXIFHSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001502698119 893860430 /nfs/dbraw/zinc/86/04/30/893860430.db2.gz LVSRRCLTRWTSNJ-PWSUYJOCSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001502724177 893860947 /nfs/dbraw/zinc/86/09/47/893860947.db2.gz ITTKZFMKMZONGC-PWSUYJOCSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001502698117 893861160 /nfs/dbraw/zinc/86/11/60/893861160.db2.gz LVSRRCLTRWTSNJ-CMPLNLGQSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001502725117 893861432 /nfs/dbraw/zinc/86/14/32/893861432.db2.gz SACAGYNRRVGOSP-ONGXEEELSA-N 1 0 290.327 -1.396 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CCNC(=O)C(N)=O ZINC001503457833 893868889 /nfs/dbraw/zinc/86/88/89/893868889.db2.gz GKEAARDPWNPJCU-JTQLQIEISA-N 1 0 297.359 -1.282 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001505606916 893884056 /nfs/dbraw/zinc/88/40/56/893884056.db2.gz YBJUWFCKDRIRMD-VHSXEESVSA-N 1 0 295.347 -1.542 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001505606914 893884178 /nfs/dbraw/zinc/88/41/78/893884178.db2.gz YBJUWFCKDRIRMD-NXEZZACHSA-N 1 0 295.347 -1.542 20 30 CAEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001505598166 893885640 /nfs/dbraw/zinc/88/56/40/893885640.db2.gz AEEFCZDYSPUPKL-BDAKNGLRSA-N 1 0 293.331 -1.449 20 30 CAEDRO C[C@H](NC(=O)c1ncn(C)n1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001505598168 893886945 /nfs/dbraw/zinc/88/69/45/893886945.db2.gz AEEFCZDYSPUPKL-IUCAKERBSA-N 1 0 293.331 -1.449 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001505671424 893887984 /nfs/dbraw/zinc/88/79/84/893887984.db2.gz RKDUBZVHODOAQD-DTWKUNHWSA-N 1 0 293.331 -1.944 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505660196 893888732 /nfs/dbraw/zinc/88/87/32/893888732.db2.gz KIDXYYAWYRCQPQ-RKDXNWHRSA-N 1 0 276.362 -1.844 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001505680819 893888825 /nfs/dbraw/zinc/88/88/25/893888825.db2.gz FTNWYJNZHYVUGV-NXEZZACHSA-N 1 0 294.355 -1.516 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001505661721 893890004 /nfs/dbraw/zinc/89/00/04/893890004.db2.gz ZBNXSKMXSKAVPP-ZJUUUORDSA-N 1 0 290.389 -1.454 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001505671426 893891941 /nfs/dbraw/zinc/89/19/41/893891941.db2.gz RKDUBZVHODOAQD-RKDXNWHRSA-N 1 0 293.331 -1.944 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)CC(N)=O ZINC001505802588 893893191 /nfs/dbraw/zinc/89/31/91/893893191.db2.gz FZIQPENSACITAB-UHFFFAOYSA-N 1 0 296.371 -1.315 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)C(N)=O)CC1 ZINC001505784246 893894385 /nfs/dbraw/zinc/89/43/85/893894385.db2.gz FIUPQXBWOSIHJD-UHFFFAOYSA-N 1 0 294.355 -1.420 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001505866236 893898130 /nfs/dbraw/zinc/89/81/30/893898130.db2.gz IWUSVYSLVFSLJW-NSHDSACASA-N 1 0 280.332 -1.241 20 30 CAEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001505866235 893900239 /nfs/dbraw/zinc/90/02/39/893900239.db2.gz IWUSVYSLVFSLJW-LLVKDONJSA-N 1 0 280.332 -1.241 20 30 CAEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001506008084 893912148 /nfs/dbraw/zinc/91/21/48/893912148.db2.gz PCCZGLQCUVZUFH-UWVGGRQHSA-N 1 0 275.374 -1.006 20 30 CAEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001505991702 893913466 /nfs/dbraw/zinc/91/34/66/893913466.db2.gz YLWGXBHTQJGHRU-MNOVXSKESA-N 1 0 282.344 -1.246 20 30 CAEDRO COCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001506830215 893942490 /nfs/dbraw/zinc/94/24/90/893942490.db2.gz DSJJYQOPFLMCSV-WDEREUQCSA-N 1 0 298.343 -1.522 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001506889020 893945957 /nfs/dbraw/zinc/94/59/57/893945957.db2.gz PSXIAAIBNBZKDA-XYPYZODXSA-N 1 0 277.328 -1.301 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506884550 893946332 /nfs/dbraw/zinc/94/63/32/893946332.db2.gz UGXPECBJDJBETE-DCAQKATOSA-N 1 0 267.329 -1.006 20 30 CAEDRO C=CCOCC[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506846617 893947299 /nfs/dbraw/zinc/94/72/99/893947299.db2.gz WSIZCSWAFVLNMA-GHMZBOCLSA-N 1 0 285.344 -1.120 20 30 CAEDRO C=CCOCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506846620 893947771 /nfs/dbraw/zinc/94/77/71/893947771.db2.gz WSIZCSWAFVLNMA-QWRGUYRKSA-N 1 0 285.344 -1.120 20 30 CAEDRO C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)c1nnc[nH]1 ZINC001506941384 893950314 /nfs/dbraw/zinc/95/03/14/893950314.db2.gz DBBKXKLRCWEROO-VIFPVBQESA-N 1 0 293.331 -1.067 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(N)=O ZINC001507020833 893950664 /nfs/dbraw/zinc/95/06/64/893950664.db2.gz AGMRPEMNGGKJTR-JTQLQIEISA-N 1 0 280.328 -1.952 20 30 CAEDRO C#CCC[N@@H+](C)CCOCCNC(=O)c1nnn(C)n1 ZINC001506973106 893950810 /nfs/dbraw/zinc/95/08/10/893950810.db2.gz FDYLEHGIQQNPSP-UHFFFAOYSA-N 1 0 280.332 -1.088 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CCNC(=O)C(N)=O)C(C)C ZINC001506990706 893951900 /nfs/dbraw/zinc/95/19/00/893951900.db2.gz RYBWEFVASJGPOF-WDEREUQCSA-N 1 0 296.371 -1.270 20 30 CAEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001506977079 893952125 /nfs/dbraw/zinc/95/21/25/893952125.db2.gz KTUCDVHLVZNMKN-JTQLQIEISA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001507071342 893954426 /nfs/dbraw/zinc/95/44/26/893954426.db2.gz LISUNRVOYBYXNL-UWVGGRQHSA-N 1 0 255.318 -1.054 20 30 CAEDRO Cc1n[nH]nc1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001507105132 893954845 /nfs/dbraw/zinc/95/48/45/893954845.db2.gz GLQXWZDBXVPCJZ-MRVPVSSYSA-N 1 0 293.331 -1.197 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001507111274 893955682 /nfs/dbraw/zinc/95/56/82/893955682.db2.gz SXTMQAZBDDRYIY-GHMZBOCLSA-N 1 0 296.371 -1.316 20 30 CAEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001507071343 893955812 /nfs/dbraw/zinc/95/58/12/893955812.db2.gz LISUNRVOYBYXNL-VHSXEESVSA-N 1 0 255.318 -1.054 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001507050685 893955963 /nfs/dbraw/zinc/95/59/63/893955963.db2.gz XEJFABOHRZHRJN-JTQLQIEISA-N 1 0 295.347 -1.588 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC(N)=O ZINC001507061767 893956749 /nfs/dbraw/zinc/95/67/49/893956749.db2.gz XACDALCOSJGJRN-ZJUUUORDSA-N 1 0 282.344 -1.564 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001507148985 893961050 /nfs/dbraw/zinc/96/10/50/893961050.db2.gz TWNJYNJDPMVTAD-JTQLQIEISA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001507151115 893961727 /nfs/dbraw/zinc/96/17/27/893961727.db2.gz GEAOVISMMKRKGW-QWRGUYRKSA-N 1 0 294.355 -1.549 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001507151114 893961881 /nfs/dbraw/zinc/96/18/81/893961881.db2.gz GEAOVISMMKRKGW-MNOVXSKESA-N 1 0 294.355 -1.549 20 30 CAEDRO C[C@@H](CN(C)C(=O)Cn1ccnc1)[NH2+]CC(=O)NCC#N ZINC001507164164 893962684 /nfs/dbraw/zinc/96/26/84/893962684.db2.gz PTYCWFFBHOMGQM-NSHDSACASA-N 1 0 292.343 -1.041 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc[nH]1 ZINC001507171352 893964165 /nfs/dbraw/zinc/96/41/65/893964165.db2.gz BXAVPSHIMKQAFJ-SNVBAGLBSA-N 1 0 278.312 -1.556 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCOC ZINC001507168054 893964230 /nfs/dbraw/zinc/96/42/30/893964230.db2.gz NOZKZZMENIPEQA-NSHDSACASA-N 1 0 258.318 -1.261 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)COC)C1=O ZINC001507168254 893964433 /nfs/dbraw/zinc/96/44/33/893964433.db2.gz NTYYVVFLNOEVID-MNOVXSKESA-N 1 0 285.344 -1.514 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CCCC1 ZINC001507167833 893965648 /nfs/dbraw/zinc/96/56/48/893965648.db2.gz MYNOTMKCDANKMX-NSHDSACASA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CCC ZINC001507168586 893967146 /nfs/dbraw/zinc/96/71/46/893967146.db2.gz UKJMPJLKLNKZBI-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc[nH]1 ZINC001507172625 893969016 /nfs/dbraw/zinc/96/90/16/893969016.db2.gz NHBIALSFZIZUAB-QWRGUYRKSA-N 1 0 292.339 -1.167 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001507177196 893970162 /nfs/dbraw/zinc/97/01/62/893970162.db2.gz FRNQUGPEJWWDMX-WDEREUQCSA-N 1 0 285.344 -1.514 20 30 CAEDRO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CSCC#N ZINC001507175331 893970184 /nfs/dbraw/zinc/97/01/84/893970184.db2.gz ROSSMTXIACUABZ-RKDXNWHRSA-N 1 0 261.347 -1.309 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc[nH]1 ZINC001507172623 893970379 /nfs/dbraw/zinc/97/03/79/893970379.db2.gz NHBIALSFZIZUAB-GHMZBOCLSA-N 1 0 292.339 -1.167 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001507174903 893970437 /nfs/dbraw/zinc/97/04/37/893970437.db2.gz MKAKMNUYDMOYPS-LLVKDONJSA-N 1 0 293.327 -2.150 20 30 CAEDRO C=CCOCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001507177192 893970487 /nfs/dbraw/zinc/97/04/87/893970487.db2.gz FRNQUGPEJWWDMX-QWRGUYRKSA-N 1 0 285.344 -1.514 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCn1cccn1 ZINC001507172928 893970895 /nfs/dbraw/zinc/97/08/95/893970895.db2.gz BAXWHOVMTRAESF-CYBMUJFWSA-N 1 0 294.355 -1.010 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001507173064 893971262 /nfs/dbraw/zinc/97/12/62/893971262.db2.gz URJKDTOLLMVJDD-JTQLQIEISA-N 1 0 254.286 -1.035 20 30 CAEDRO C=CCOCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001507177189 893971311 /nfs/dbraw/zinc/97/13/11/893971311.db2.gz FRNQUGPEJWWDMX-GHMZBOCLSA-N 1 0 285.344 -1.514 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cocn1 ZINC001507179159 893972348 /nfs/dbraw/zinc/97/23/48/893972348.db2.gz PDEJFPLVPSOEIT-VIFPVBQESA-N 1 0 280.284 -1.896 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccon1 ZINC001507179644 893973261 /nfs/dbraw/zinc/97/32/61/893973261.db2.gz MDRBKQJOUFVGOZ-VIFPVBQESA-N 1 0 282.300 -1.343 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CNC(=O)CC ZINC001507177985 893974970 /nfs/dbraw/zinc/97/49/70/893974970.db2.gz IUNSPCVCVNGLID-JTQLQIEISA-N 1 0 255.318 -1.397 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccon1 ZINC001507179643 893975995 /nfs/dbraw/zinc/97/59/95/893975995.db2.gz MDRBKQJOUFVGOZ-SECBINFHSA-N 1 0 282.300 -1.343 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001507179394 893976010 /nfs/dbraw/zinc/97/60/10/893976010.db2.gz WWAPHOUJFKTBMH-ONGXEEELSA-N 1 0 293.327 -1.772 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001507180324 893979737 /nfs/dbraw/zinc/97/97/37/893979737.db2.gz UFEHECZEQVXKPF-UWVGGRQHSA-N 1 0 266.301 -2.038 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC ZINC001507191798 893986567 /nfs/dbraw/zinc/98/65/67/893986567.db2.gz CIAYPUDBEVCTIG-MNOVXSKESA-N 1 0 269.345 -1.009 20 30 CAEDRO CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C#CC1CC1)C(N)=O ZINC001507194694 893987041 /nfs/dbraw/zinc/98/70/41/893987041.db2.gz PZIWGGLQNRBARX-GHMZBOCLSA-N 1 0 267.329 -1.270 20 30 CAEDRO CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C#CC2CC2)C1=O ZINC001507195130 893987399 /nfs/dbraw/zinc/98/73/99/893987399.db2.gz SRMBKEHMFQEGFE-VXGBXAGGSA-N 1 0 279.340 -1.303 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001507192678 893987427 /nfs/dbraw/zinc/98/74/27/893987427.db2.gz FQGXSOJPSJEMDQ-LDYMZIIASA-N 1 0 259.306 -2.135 20 30 CAEDRO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)(C)C ZINC001507195467 893987889 /nfs/dbraw/zinc/98/78/89/893987889.db2.gz UTHSQKXNKLFMEU-SNVBAGLBSA-N 1 0 269.345 -1.151 20 30 CAEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC ZINC001507191800 893987977 /nfs/dbraw/zinc/98/79/77/893987977.db2.gz CIAYPUDBEVCTIG-WDEREUQCSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1coc(C)n1 ZINC001507193658 893988240 /nfs/dbraw/zinc/98/82/40/893988240.db2.gz NTGOOXWXJSZKIE-JTQLQIEISA-N 1 0 294.311 -1.587 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001507192675 893988571 /nfs/dbraw/zinc/98/85/71/893988571.db2.gz FQGXSOJPSJEMDQ-KCJUWKMLSA-N 1 0 259.306 -2.135 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001507192619 893989240 /nfs/dbraw/zinc/98/92/40/893989240.db2.gz FHPWNZXHAVXMOP-LBPRGKRZSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001507192616 893989309 /nfs/dbraw/zinc/98/93/09/893989309.db2.gz FHPWNZXHAVXMOP-GFCCVEGCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CC1OCCCO1 ZINC001507196513 893989594 /nfs/dbraw/zinc/98/95/94/893989594.db2.gz XXXVESQXWATCEB-JTQLQIEISA-N 1 0 256.302 -1.161 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001507201644 893991051 /nfs/dbraw/zinc/99/10/51/893991051.db2.gz ITAUUVPYOROFLN-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001507203642 893991474 /nfs/dbraw/zinc/99/14/74/893991474.db2.gz UWQUGSMIFHLVNB-MRVPVSSYSA-N 1 0 252.274 -1.263 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001507200959 893991889 /nfs/dbraw/zinc/99/18/89/893991889.db2.gz FVCKRGWFDODGKU-NWDGAFQWSA-N 1 0 297.355 -1.819 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CNC(=O)c1ccncc1 ZINC001507201146 893992094 /nfs/dbraw/zinc/99/20/94/893992094.db2.gz SXOOBRSDLKEKFJ-GFCCVEGCSA-N 1 0 290.323 -1.489 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001507202749 893992155 /nfs/dbraw/zinc/99/21/55/893992155.db2.gz YQADKXZWBWEMRD-NXEZZACHSA-N 1 0 291.373 -1.986 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001507201892 893992283 /nfs/dbraw/zinc/99/22/83/893992283.db2.gz PNMADGXMXJTUJZ-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN(C)S(C)(=O)=O ZINC001507202788 893992773 /nfs/dbraw/zinc/99/27/73/893992773.db2.gz LEQJMDPARZLSNP-VIFPVBQESA-N 1 0 277.346 -2.422 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001507201645 893993720 /nfs/dbraw/zinc/99/37/20/893993720.db2.gz ITAUUVPYOROFLN-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001507204029 893995857 /nfs/dbraw/zinc/99/58/57/893995857.db2.gz WGVNDTDXTCKRBS-SNVBAGLBSA-N 1 0 294.311 -1.488 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001507203776 893996162 /nfs/dbraw/zinc/99/61/62/893996162.db2.gz SVNYXNVBZNGCTG-NSHDSACASA-N 1 0 290.323 -1.577 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc2n(n1)CCCO2 ZINC001507214935 893996948 /nfs/dbraw/zinc/99/69/48/893996948.db2.gz KTBHVJWXYDNDHV-JTQLQIEISA-N 1 0 278.312 -1.021 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001507204024 893997699 /nfs/dbraw/zinc/99/76/99/893997699.db2.gz WGVNDTDXTCKRBS-JTQLQIEISA-N 1 0 294.311 -1.488 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001507204754 893997814 /nfs/dbraw/zinc/99/78/14/893997814.db2.gz ZHDJPVHYPLAZJM-NSHDSACASA-N 1 0 294.311 -1.488 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001507205616 893997873 /nfs/dbraw/zinc/99/78/73/893997873.db2.gz MWDIRFZWYGRLDV-GWCFXTLKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1csnn1 ZINC001507224798 893999012 /nfs/dbraw/zinc/99/90/12/893999012.db2.gz ZSMCWYIPAVYHRL-MRVPVSSYSA-N 1 0 299.356 -1.479 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001507223948 893999488 /nfs/dbraw/zinc/99/94/88/893999488.db2.gz AHIZKQQGVVLNFQ-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001507222887 893999626 /nfs/dbraw/zinc/99/96/26/893999626.db2.gz UAKADCSRGDXJDR-JTQLQIEISA-N 1 0 282.344 -1.095 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001507223950 893999707 /nfs/dbraw/zinc/99/97/07/893999707.db2.gz AHIZKQQGVVLNFQ-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001507223577 893999761 /nfs/dbraw/zinc/99/97/61/893999761.db2.gz SBHJMVTZQOIXKV-QWRGUYRKSA-N 1 0 288.369 -1.346 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cn1cncc1C ZINC001507218964 894000213 /nfs/dbraw/zinc/00/02/13/894000213.db2.gz MPJLDCXAAQARHR-ZDUSSCGKSA-N 1 0 294.355 -1.092 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(=O)c(OC)co1 ZINC001507220517 894000613 /nfs/dbraw/zinc/00/06/13/894000613.db2.gz VPXGUYDQVSBQPT-VIFPVBQESA-N 1 0 280.280 -1.038 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001507223575 894000926 /nfs/dbraw/zinc/00/09/26/894000926.db2.gz SBHJMVTZQOIXKV-GHMZBOCLSA-N 1 0 288.369 -1.346 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cn1cncc1C ZINC001507218963 894001445 /nfs/dbraw/zinc/00/14/45/894001445.db2.gz MPJLDCXAAQARHR-CYBMUJFWSA-N 1 0 294.355 -1.092 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001507223578 894002756 /nfs/dbraw/zinc/00/27/56/894002756.db2.gz SBHJMVTZQOIXKV-WDEREUQCSA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]nnc1C ZINC001507224227 894002806 /nfs/dbraw/zinc/00/28/06/894002806.db2.gz GJCBDLJBVAZRKF-SECBINFHSA-N 1 0 294.315 -2.457 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001507227660 894004563 /nfs/dbraw/zinc/00/45/63/894004563.db2.gz XVLYNPPLXLIJKA-RYUDHWBXSA-N 1 0 297.355 -1.676 20 30 CAEDRO CC(C)[C@@H](F)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001507226120 894004749 /nfs/dbraw/zinc/00/47/49/894004749.db2.gz PWWSLYNVEKWZSI-MWLCHTKSSA-N 1 0 288.323 -1.313 20 30 CAEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001507228821 894005503 /nfs/dbraw/zinc/00/55/03/894005503.db2.gz HGWOGICXWADCLK-VHSXEESVSA-N 1 0 270.333 -1.299 20 30 CAEDRO CC(C)[C@H](F)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001507226119 894007405 /nfs/dbraw/zinc/00/74/05/894007405.db2.gz PWWSLYNVEKWZSI-KOLCDFICSA-N 1 0 288.323 -1.313 20 30 CAEDRO N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)cc1 ZINC001507232787 894008713 /nfs/dbraw/zinc/00/87/13/894008713.db2.gz QKTAEVOJLIVKLR-NSHDSACASA-N 1 0 276.296 -1.390 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)c1 ZINC001507233605 894008862 /nfs/dbraw/zinc/00/88/62/894008862.db2.gz QVQUFCWJIZFKSN-GFCCVEGCSA-N 1 0 290.323 -1.511 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001507234896 894010871 /nfs/dbraw/zinc/01/08/71/894010871.db2.gz GWFNWOUUYFQPTN-VIFPVBQESA-N 1 0 266.301 -1.171 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)NC(C)=O ZINC001507237176 894016597 /nfs/dbraw/zinc/01/65/97/894016597.db2.gz BKWPKKDSBVDRJZ-VXGBXAGGSA-N 1 0 269.345 -1.009 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001507242549 894017795 /nfs/dbraw/zinc/01/77/95/894017795.db2.gz IBKKUKFKTRFCDG-VIFPVBQESA-N 1 0 251.290 -1.481 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001507242546 894017834 /nfs/dbraw/zinc/01/78/34/894017834.db2.gz IBKKUKFKTRFCDG-SECBINFHSA-N 1 0 251.290 -1.481 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001507250718 894020044 /nfs/dbraw/zinc/02/00/44/894020044.db2.gz YFAJYYLFVZLNGL-LBPRGKRZSA-N 1 0 292.339 -1.440 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001507246826 894021466 /nfs/dbraw/zinc/02/14/66/894021466.db2.gz SNWBINHGFSTVKC-RWMBFGLXSA-N 1 0 293.367 -1.151 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C1(C(=O)NC)CC1 ZINC001507245067 894021995 /nfs/dbraw/zinc/02/19/95/894021995.db2.gz SVFFQVCCAINHSE-SECBINFHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001507246825 894022620 /nfs/dbraw/zinc/02/26/20/894022620.db2.gz SNWBINHGFSTVKC-FRRDWIJNSA-N 1 0 293.367 -1.151 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1nonc1C ZINC001507248888 894023215 /nfs/dbraw/zinc/02/32/15/894023215.db2.gz QYBVDFYJVPUBNG-NSHDSACASA-N 1 0 296.327 -1.363 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C1(C(=O)NC)CC1 ZINC001507245069 894023975 /nfs/dbraw/zinc/02/39/75/894023975.db2.gz SVFFQVCCAINHSE-VIFPVBQESA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1nnnc1C(C)C ZINC001507246467 894024043 /nfs/dbraw/zinc/02/40/43/894024043.db2.gz LFZKITBAJDFCOJ-JTQLQIEISA-N 1 0 280.332 -1.504 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001507243945 894024717 /nfs/dbraw/zinc/02/47/17/894024717.db2.gz NRXMXFXGSWSUJT-NXEZZACHSA-N 1 0 253.302 -1.645 20 30 CAEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)NCC#N ZINC001507259407 894026077 /nfs/dbraw/zinc/02/60/77/894026077.db2.gz DUWRSOZKWNCZNR-VXGBXAGGSA-N 1 0 284.360 -1.455 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001507253824 894027621 /nfs/dbraw/zinc/02/76/21/894027621.db2.gz GBTWWKDMVRTKQT-VIFPVBQESA-N 1 0 253.306 -1.010 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001507258559 894028918 /nfs/dbraw/zinc/02/89/18/894028918.db2.gz CMHUUKLHXDEEIB-SNVBAGLBSA-N 1 0 283.328 -1.222 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001507261057 894029093 /nfs/dbraw/zinc/02/90/93/894029093.db2.gz OCGHPIMLGHWOPN-UWVGGRQHSA-N 1 0 289.357 -2.232 20 30 CAEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)nc1 ZINC001507253292 894029134 /nfs/dbraw/zinc/02/91/34/894029134.db2.gz OHULNIZZNDKJOV-NSHDSACASA-N 1 0 290.323 -1.511 20 30 CAEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)NCC#N ZINC001507259403 894029995 /nfs/dbraw/zinc/02/99/95/894029995.db2.gz DUWRSOZKWNCZNR-NWDGAFQWSA-N 1 0 284.360 -1.455 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001507260169 894030143 /nfs/dbraw/zinc/03/01/43/894030143.db2.gz JSCKKXUFRCQPRG-LLVKDONJSA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001507260310 894030946 /nfs/dbraw/zinc/03/09/46/894030946.db2.gz JVMDOCWOBLUUAH-SNVBAGLBSA-N 1 0 278.312 -1.183 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)NC(=O)NCC=C ZINC001507265005 894031653 /nfs/dbraw/zinc/03/16/53/894031653.db2.gz NHBBYVSABAMIDZ-LLVKDONJSA-N 1 0 296.371 -1.050 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001507264074 894032550 /nfs/dbraw/zinc/03/25/50/894032550.db2.gz FUQHLIXCVPZZNR-VIFPVBQESA-N 1 0 296.331 -1.980 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001507276162 894034756 /nfs/dbraw/zinc/03/47/56/894034756.db2.gz ZOUHZYMHVJCVST-ZJUUUORDSA-N 1 0 282.344 -1.257 20 30 CAEDRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001507270617 894034913 /nfs/dbraw/zinc/03/49/13/894034913.db2.gz RWNCWGOWLQUMMG-ZJUUUORDSA-N 1 0 268.317 -1.148 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001507265090 894034951 /nfs/dbraw/zinc/03/49/51/894034951.db2.gz OZNBZLNRYADAAQ-QMMMGPOBSA-N 1 0 280.288 -2.923 20 30 CAEDRO COCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001507270613 894035097 /nfs/dbraw/zinc/03/50/97/894035097.db2.gz RWNCWGOWLQUMMG-NXEZZACHSA-N 1 0 268.317 -1.148 20 30 CAEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001507276150 894035806 /nfs/dbraw/zinc/03/58/06/894035806.db2.gz ZJTAYLRQPGEOQG-NXEZZACHSA-N 1 0 298.343 -1.037 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)NC(=O)NCC=C ZINC001507265006 894036073 /nfs/dbraw/zinc/03/60/73/894036073.db2.gz NHBBYVSABAMIDZ-NSHDSACASA-N 1 0 296.371 -1.050 20 30 CAEDRO COCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001507300041 894039380 /nfs/dbraw/zinc/03/93/80/894039380.db2.gz KAISUKUBJZYJDS-NXEZZACHSA-N 1 0 268.317 -1.148 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001507307340 894039742 /nfs/dbraw/zinc/03/97/42/894039742.db2.gz TUEUQGBPMKTZAL-UWVGGRQHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001507289909 894041682 /nfs/dbraw/zinc/04/16/82/894041682.db2.gz LLEOGZRLTFFYET-DTWKUNHWSA-N 1 0 268.317 -1.647 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001507464655 894042938 /nfs/dbraw/zinc/04/29/38/894042938.db2.gz ANDYBWVJFJOFTJ-ZDUSSCGKSA-N 1 0 299.371 -1.477 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001507412373 894043330 /nfs/dbraw/zinc/04/33/30/894043330.db2.gz WEVZZQFRSOTJKT-GHMZBOCLSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(F)F ZINC001507456225 894044330 /nfs/dbraw/zinc/04/43/30/894044330.db2.gz GCBKSPLJRQNKBI-BDAKNGLRSA-N 1 0 291.298 -1.202 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001507461942 894044879 /nfs/dbraw/zinc/04/48/79/894044879.db2.gz SXGJLEILVDRMSU-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001507443029 894045357 /nfs/dbraw/zinc/04/53/57/894045357.db2.gz LRLUSHOVIRIHBP-ZJUUUORDSA-N 1 0 294.355 -1.564 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001507461941 894045601 /nfs/dbraw/zinc/04/56/01/894045601.db2.gz SXGJLEILVDRMSU-RYUDHWBXSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(F)F ZINC001507456226 894046522 /nfs/dbraw/zinc/04/65/22/894046522.db2.gz GCBKSPLJRQNKBI-DTWKUNHWSA-N 1 0 291.298 -1.202 20 30 CAEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1cocn1 ZINC001507471636 894047158 /nfs/dbraw/zinc/04/71/58/894047158.db2.gz NQXDMRSOLYOIDY-VIFPVBQESA-N 1 0 295.299 -1.663 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001507472411 894047747 /nfs/dbraw/zinc/04/77/47/894047747.db2.gz ZORNZQIGJKYFBC-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)CC ZINC001507470317 894050724 /nfs/dbraw/zinc/05/07/24/894050724.db2.gz FXJNJKLIODRIOM-JTQLQIEISA-N 1 0 255.318 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001507472413 894050121 /nfs/dbraw/zinc/05/01/21/894050121.db2.gz ZORNZQIGJKYFBC-QWHCGFSZSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)OC ZINC001507468668 894050884 /nfs/dbraw/zinc/05/08/84/894050884.db2.gz ZQIHUYOJEYNOOW-WDEREUQCSA-N 1 0 285.344 -1.820 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001507468665 894051594 /nfs/dbraw/zinc/05/15/94/894051594.db2.gz ZQIHUYOJEYNOOW-GHMZBOCLSA-N 1 0 285.344 -1.820 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001507470480 894051744 /nfs/dbraw/zinc/05/17/44/894051744.db2.gz RWNPYWJRQXMGBF-VIFPVBQESA-N 1 0 263.301 -1.286 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001507465672 894051904 /nfs/dbraw/zinc/05/19/04/894051904.db2.gz LROKPJLENSUUMY-JTQLQIEISA-N 1 0 295.343 -1.266 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001507484257 894052913 /nfs/dbraw/zinc/05/29/13/894052913.db2.gz ZGRTYYCADAGPIX-NEPJUHHUSA-N 1 0 281.356 -1.103 20 30 CAEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001507475575 894053387 /nfs/dbraw/zinc/05/33/87/894053387.db2.gz ZFIIBNGZEZFUKC-GZMMTYOYSA-N 1 0 293.327 -1.217 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001507484260 894053885 /nfs/dbraw/zinc/05/38/85/894053885.db2.gz ZGRTYYCADAGPIX-VXGBXAGGSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001507479926 894054863 /nfs/dbraw/zinc/05/48/63/894054863.db2.gz AHAZOQNQCHUGSE-VHSXEESVSA-N 1 0 270.333 -1.525 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001507484451 894054878 /nfs/dbraw/zinc/05/48/78/894054878.db2.gz CMDSNSICKGRURT-JTQLQIEISA-N 1 0 280.328 -1.011 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001507479924 894055204 /nfs/dbraw/zinc/05/52/04/894055204.db2.gz AHAZOQNQCHUGSE-NXEZZACHSA-N 1 0 270.333 -1.525 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001507474095 894055358 /nfs/dbraw/zinc/05/53/58/894055358.db2.gz OPLNDONDPJJKQN-ZDUSSCGKSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001507474091 894055375 /nfs/dbraw/zinc/05/53/75/894055375.db2.gz OPLNDONDPJJKQN-CYBMUJFWSA-N 1 0 283.372 -1.249 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001507498075 894057648 /nfs/dbraw/zinc/05/76/48/894057648.db2.gz XLHMLDSOBIJZBU-SECBINFHSA-N 1 0 268.321 -1.191 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001507497418 894058038 /nfs/dbraw/zinc/05/80/38/894058038.db2.gz KTGNJAOAWXGYSJ-IJLUTSLNSA-N 1 0 281.356 -1.199 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001507486289 894059053 /nfs/dbraw/zinc/05/90/53/894059053.db2.gz PRRBEJUZTBDRTP-LLVKDONJSA-N 1 0 299.371 -1.443 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001507485565 894059172 /nfs/dbraw/zinc/05/91/72/894059172.db2.gz AGIVLQPKUBEYDM-NEPJUHHUSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1ncn(C)c1=O ZINC001507495531 894060037 /nfs/dbraw/zinc/06/00/37/894060037.db2.gz ORLCCSHBEZLYJY-LLVKDONJSA-N 1 0 297.359 -1.433 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001507508445 894062008 /nfs/dbraw/zinc/06/20/08/894062008.db2.gz ZSNVKPXNAIMKCV-UWVGGRQHSA-N 1 0 298.343 -1.431 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001507528018 894067049 /nfs/dbraw/zinc/06/70/49/894067049.db2.gz GKKPJWVKMYLBOO-SNVBAGLBSA-N 1 0 296.327 -2.030 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001507597184 894068508 /nfs/dbraw/zinc/06/85/08/894068508.db2.gz LIGRNKVGFNBMCB-SNVBAGLBSA-N 1 0 271.317 -1.273 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507585376 894070094 /nfs/dbraw/zinc/07/00/94/894070094.db2.gz FGFGYDXMRZUUSD-NSHDSACASA-N 1 0 280.332 -1.553 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001507624731 894071478 /nfs/dbraw/zinc/07/14/78/894071478.db2.gz KWYPYEBUSWTSCB-WDEREUQCSA-N 1 0 283.328 -1.131 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001507629491 894071871 /nfs/dbraw/zinc/07/18/71/894071871.db2.gz ZDOKGMVBZWPOSX-GHMZBOCLSA-N 1 0 284.360 -1.182 20 30 CAEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001507624729 894072267 /nfs/dbraw/zinc/07/22/67/894072267.db2.gz KWYPYEBUSWTSCB-QWRGUYRKSA-N 1 0 283.328 -1.131 20 30 CAEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001507693529 894073507 /nfs/dbraw/zinc/07/35/07/894073507.db2.gz QQVQOIKLHQFDNF-NXEZZACHSA-N 1 0 270.333 -1.395 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC(=O)NCC ZINC001507615337 894073829 /nfs/dbraw/zinc/07/38/29/894073829.db2.gz DEGNOXIFDDNBBE-LLVKDONJSA-N 1 0 269.345 -1.103 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001507629494 894075532 /nfs/dbraw/zinc/07/55/32/894075532.db2.gz ZDOKGMVBZWPOSX-MNOVXSKESA-N 1 0 284.360 -1.182 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001507658027 894076821 /nfs/dbraw/zinc/07/68/21/894076821.db2.gz VQXMIWNAQUGGLO-LLVKDONJSA-N 1 0 295.343 -2.034 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001507624728 894077257 /nfs/dbraw/zinc/07/72/57/894077257.db2.gz KWYPYEBUSWTSCB-MNOVXSKESA-N 1 0 283.328 -1.131 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001507708235 894080540 /nfs/dbraw/zinc/08/05/40/894080540.db2.gz RRVGYXUVPQEKCO-JTQLQIEISA-N 1 0 265.317 -1.187 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001507708236 894081369 /nfs/dbraw/zinc/08/13/69/894081369.db2.gz RRVGYXUVPQEKCO-SNVBAGLBSA-N 1 0 265.317 -1.187 20 30 CAEDRO C=CCNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)C(N)=O)CC1 ZINC001508065292 894081743 /nfs/dbraw/zinc/08/17/43/894081743.db2.gz USLSNBSMPHLNQH-SNVBAGLBSA-N 1 0 296.371 -1.009 20 30 CAEDRO CC(C)(C)[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001508016935 894082729 /nfs/dbraw/zinc/08/27/29/894082729.db2.gz ZUBCDEUTCCQFJX-QMMMGPOBSA-N 1 0 283.332 -1.768 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)C(N)=O)C(C)(C)C ZINC001508016276 894083202 /nfs/dbraw/zinc/08/32/02/894083202.db2.gz POHMXLCEDJFKCC-SECBINFHSA-N 1 0 284.360 -1.106 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)CN1C(=O)CCC1=O ZINC001508189253 894085514 /nfs/dbraw/zinc/08/55/14/894085514.db2.gz YSFSXOKSHNESKM-UHFFFAOYSA-N 1 0 295.339 -1.167 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001508188102 894085608 /nfs/dbraw/zinc/08/56/08/894085608.db2.gz PXOUUPNMGXWICT-LLVKDONJSA-N 1 0 295.339 -1.263 20 30 CAEDRO C#CC[NH2+]CCOCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001508188105 894086338 /nfs/dbraw/zinc/08/63/38/894086338.db2.gz PXOUUPNMGXWICT-NSHDSACASA-N 1 0 295.339 -1.263 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001514680007 894183472 /nfs/dbraw/zinc/18/34/72/894183472.db2.gz HGQOQQVGRCAVJQ-AOOOYVTPSA-N 1 0 282.296 -1.370 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC(C(N)=O)C(N)=O)CC1 ZINC001518384134 894189063 /nfs/dbraw/zinc/18/90/63/894189063.db2.gz KTDTXKNUUWYJOK-UHFFFAOYSA-N 1 0 266.301 -2.213 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC(=O)NCC#N ZINC001520169473 894194886 /nfs/dbraw/zinc/19/48/86/894194886.db2.gz PZWKFGSPXZEAPQ-ZJUUUORDSA-N 1 0 265.317 -1.869 20 30 CAEDRO COC(=O)CN(CC#N)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001521034664 894198036 /nfs/dbraw/zinc/19/80/36/894198036.db2.gz XQOSWUAAZBRQJF-MNOVXSKESA-N 1 0 280.328 -1.100 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCN(O)C1=O ZINC001521615344 894208306 /nfs/dbraw/zinc/20/83/06/894208306.db2.gz DFAPFDYUCSPWKO-UTLUCORTSA-N 1 0 268.317 -1.519 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001524062755 894275581 /nfs/dbraw/zinc/27/55/81/894275581.db2.gz WJMDEBCKRHWJFI-TVQRCGJNSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001524062749 894275963 /nfs/dbraw/zinc/27/59/63/894275963.db2.gz WJMDEBCKRHWJFI-NOZJJQNGSA-N 1 0 278.312 -1.296 20 30 CAEDRO C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)C#CC1CC1 ZINC001533256884 894409691 /nfs/dbraw/zinc/40/96/91/894409691.db2.gz FOQHZDAQDABKDY-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO CNS(=O)(=O)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001542887681 894464225 /nfs/dbraw/zinc/46/42/25/894464225.db2.gz UBTUICNRBKCFTC-UHFFFAOYSA-N 1 0 274.346 -1.360 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001542975127 894466902 /nfs/dbraw/zinc/46/69/02/894466902.db2.gz NERJVJREODSNEX-JTQLQIEISA-N 1 0 270.333 -1.218 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001542975128 894467147 /nfs/dbraw/zinc/46/71/47/894467147.db2.gz NERJVJREODSNEX-SNVBAGLBSA-N 1 0 270.333 -1.218 20 30 CAEDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCn1cnc(C#N)n1 ZINC001548702780 894498481 /nfs/dbraw/zinc/49/84/81/894498481.db2.gz GQBYYJPRBFIDEE-GHMZBOCLSA-N 1 0 289.343 -1.346 20 30 CAEDRO C#CC[C@H](O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548707822 894499420 /nfs/dbraw/zinc/49/94/20/894499420.db2.gz MQTZWSWTOSJSFI-SRVKXCTJSA-N 1 0 251.330 -1.125 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001557689361 894601411 /nfs/dbraw/zinc/60/14/11/894601411.db2.gz IDVUSACJNDKCFU-RKDXNWHRSA-N 1 0 268.317 -1.851 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001557689349 894601598 /nfs/dbraw/zinc/60/15/98/894601598.db2.gz IDVUSACJNDKCFU-DTORHVGOSA-N 1 0 268.317 -1.851 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001557692299 894604642 /nfs/dbraw/zinc/60/46/42/894604642.db2.gz SQTQSECYSGYESN-NXEZZACHSA-N 1 0 282.344 -1.461 20 30 CAEDRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC#CC[NH+](C)C ZINC001557899266 894609079 /nfs/dbraw/zinc/60/90/79/894609079.db2.gz JJXMGLMODKZTPY-SNVBAGLBSA-N 1 0 293.331 -2.141 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001191755568 781921793 /nfs/dbraw/zinc/92/17/93/781921793.db2.gz KZHKXOHGBZRKDM-GHMZBOCLSA-N 1 0 258.318 -1.003 20 30 CAEDRO CN1C[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000329972771 529819224 /nfs/dbraw/zinc/81/92/24/529819224.db2.gz WKHIMSONWZHLHF-WDEREUQCSA-N 1 0 283.376 -1.034 20 30 CAEDRO CN1C[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000329972769 529827595 /nfs/dbraw/zinc/82/75/95/529827595.db2.gz WKHIMSONWZHLHF-GHMZBOCLSA-N 1 0 283.376 -1.034 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC)C1 ZINC001191865207 781923848 /nfs/dbraw/zinc/92/38/48/781923848.db2.gz SNWUMOJOXAESRD-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192073716 781931390 /nfs/dbraw/zinc/93/13/90/781931390.db2.gz VPFJBQPUBFUCDH-VIFPVBQESA-N 1 0 266.301 -2.246 20 30 CAEDRO COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192036914 781931953 /nfs/dbraw/zinc/93/19/53/781931953.db2.gz CLFBYGUXXLPEJW-RYUDHWBXSA-N 1 0 294.355 -1.150 20 30 CAEDRO COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102885 781937799 /nfs/dbraw/zinc/93/77/99/781937799.db2.gz VSGAXQXLXLPJFD-JTQLQIEISA-N 1 0 253.302 -1.346 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1O ZINC001192382695 781941747 /nfs/dbraw/zinc/94/17/47/781941747.db2.gz RZPWBVFXLXYXIU-VXGBXAGGSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001192382688 781941784 /nfs/dbraw/zinc/94/17/84/781941784.db2.gz RPYSKMQVKYRAIF-GHMZBOCLSA-N 1 0 267.329 -1.304 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1O ZINC001192382924 781942908 /nfs/dbraw/zinc/94/29/08/781942908.db2.gz YAWRUYDXYFVLKX-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001192397095 781943601 /nfs/dbraw/zinc/94/36/01/781943601.db2.gz UTJCPWBZMVWJIP-VXGBXAGGSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001192395861 781943888 /nfs/dbraw/zinc/94/38/88/781943888.db2.gz HSBYHSBWFACFQV-HBNTYKKESA-N 1 0 283.328 -2.332 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC#C)C1 ZINC001192395746 781944589 /nfs/dbraw/zinc/94/45/89/781944589.db2.gz FWXMZNGITCIICJ-VXGBXAGGSA-N 1 0 277.324 -1.690 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001192395553 781944749 /nfs/dbraw/zinc/94/47/49/781944749.db2.gz FMRUITMFYKFOBE-NXEZZACHSA-N 1 0 269.301 -2.721 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=C)C)C[C@H]1O ZINC001192395327 781945319 /nfs/dbraw/zinc/94/53/19/781945319.db2.gz BZLVNSBOKPACDJ-VXGBXAGGSA-N 1 0 279.340 -1.137 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192453866 781946416 /nfs/dbraw/zinc/94/64/16/781946416.db2.gz ULYIYQBOSJRJJY-NXEZZACHSA-N 1 0 253.302 -1.693 20 30 CAEDRO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001192503470 781946519 /nfs/dbraw/zinc/94/65/19/781946519.db2.gz DYYBOBNGYDNZFJ-YNEHKIRRSA-N 1 0 284.356 -1.042 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192445495 781947177 /nfs/dbraw/zinc/94/71/77/781947177.db2.gz YTPAHATZZFBQKD-IVZWLZJFSA-N 1 0 270.333 -1.219 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192701976 781953927 /nfs/dbraw/zinc/95/39/27/781953927.db2.gz FDQRSDQQTDSDEA-GHMZBOCLSA-N 1 0 282.344 -1.510 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696007 781954770 /nfs/dbraw/zinc/95/47/70/781954770.db2.gz KNJJXRYSONNRQC-RYUDHWBXSA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696002 781954804 /nfs/dbraw/zinc/95/48/04/781954804.db2.gz KNJJXRYSONNRQC-NEPJUHHUSA-N 1 0 294.355 -1.468 20 30 CAEDRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192820839 781955976 /nfs/dbraw/zinc/95/59/76/781955976.db2.gz BVHDZWQRNJRUAB-MVWJERBFSA-N 1 0 252.314 -1.058 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192878915 781956382 /nfs/dbraw/zinc/95/63/82/781956382.db2.gz NSTZNZQEJBIKHQ-VXGBXAGGSA-N 1 0 270.329 -1.430 20 30 CAEDRO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821207 781957428 /nfs/dbraw/zinc/95/74/28/781957428.db2.gz IOLLATOGYHMYKR-YNEHKIRRSA-N 1 0 282.340 -1.432 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001192885988 781959406 /nfs/dbraw/zinc/95/94/06/781959406.db2.gz JDVNBAIBNMLJOQ-QJPTWQEYSA-N 1 0 270.329 -1.432 20 30 CAEDRO C=C[C@@H](O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000616519137 372830148 /nfs/dbraw/zinc/83/01/48/372830148.db2.gz HAFGTWMDXIELHS-SNVBAGLBSA-N 1 0 255.318 -1.234 20 30 CAEDRO C=C[C@H](O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000616519136 372830678 /nfs/dbraw/zinc/83/06/78/372830678.db2.gz HAFGTWMDXIELHS-JTQLQIEISA-N 1 0 255.318 -1.234 20 30 CAEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(CO)CO)CC1 ZINC000518559652 372887661 /nfs/dbraw/zinc/88/76/61/372887661.db2.gz DNYDAQNKMHIHIB-ZDUSSCGKSA-N 1 0 298.387 -1.378 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037803050 372905584 /nfs/dbraw/zinc/90/55/84/372905584.db2.gz OLRXAUSSCVDSMK-SNVBAGLBSA-N 1 0 254.334 -1.220 20 30 CAEDRO C=CCNC(=O)[C@H](C)N1CCC(NS(N)(=O)=O)CC1 ZINC000626033396 372914317 /nfs/dbraw/zinc/91/43/17/372914317.db2.gz QLUYHSNQNYGORM-VIFPVBQESA-N 1 0 290.389 -1.065 20 30 CAEDRO C=CCNC(=O)[C@@H](C)N1CCC(NS(N)(=O)=O)CC1 ZINC000626033395 372915668 /nfs/dbraw/zinc/91/56/68/372915668.db2.gz QLUYHSNQNYGORM-SECBINFHSA-N 1 0 290.389 -1.065 20 30 CAEDRO C#CCN1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000081643809 372949009 /nfs/dbraw/zinc/94/90/09/372949009.db2.gz XLXOXWYDHKIHTK-UHFFFAOYSA-N 1 0 292.383 -1.039 20 30 CAEDRO CN1CCO[C@@H](CS(=O)(=O)N2CCOC[C@H]2C#N)C1 ZINC000601357969 373034258 /nfs/dbraw/zinc/03/42/58/373034258.db2.gz ZLIPBTBGBOAKTI-GHMZBOCLSA-N 1 0 289.357 -1.129 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000601415222 373037584 /nfs/dbraw/zinc/03/75/84/373037584.db2.gz CUUAELZBEYHBRO-UWVGGRQHSA-N 1 0 276.362 -1.317 20 30 CAEDRO CN1CCN(C(=O)Cn2cnc(C#N)n2)[C@@H](C[NH3+])C1 ZINC000563969038 373021915 /nfs/dbraw/zinc/02/19/15/373021915.db2.gz ZCKDLRSEUTZREJ-VIFPVBQESA-N 1 0 263.305 -1.749 20 30 CAEDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C[C@H](C)O1 ZINC000581425348 373022063 /nfs/dbraw/zinc/02/20/63/373022063.db2.gz NJBIEFLCOZCYLH-TUAOUCFPSA-N 1 0 284.360 -1.314 20 30 CAEDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591726053 373057848 /nfs/dbraw/zinc/05/78/48/373057848.db2.gz DPGUYXHQBUBDEZ-LLVKDONJSA-N 1 0 292.405 -1.278 20 30 CAEDRO CCO[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H]1C[NH3+] ZINC000593917095 373096107 /nfs/dbraw/zinc/09/61/07/373096107.db2.gz VXDPGDNNIVSDBB-NXEZZACHSA-N 1 0 278.316 -1.028 20 30 CAEDRO COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)CC#N)CC1 ZINC000594003493 373098642 /nfs/dbraw/zinc/09/86/42/373098642.db2.gz LYQZGACTRCXTJP-ZDUSSCGKSA-N 1 0 298.387 -1.017 20 30 CAEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594545421 373103143 /nfs/dbraw/zinc/10/31/43/373103143.db2.gz OZAQXWZEEUVCOK-GRYCIOLGSA-N 1 0 294.355 -1.118 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000592446746 373073140 /nfs/dbraw/zinc/07/31/40/373073140.db2.gz UCXZXESTDCKLJF-SNVBAGLBSA-N 1 0 254.334 -1.000 20 30 CAEDRO C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)n1cnc(C#N)n1 ZINC000597653268 373151908 /nfs/dbraw/zinc/15/19/08/373151908.db2.gz IMNTXXVKQWKFKG-BDAKNGLRSA-N 1 0 266.305 -1.251 20 30 CAEDRO Cn1c(NCC[N@@H+]2CC[C@H](O)C2)c(C#N)c(=O)n(C)c1=O ZINC000599200159 373171713 /nfs/dbraw/zinc/17/17/13/373171713.db2.gz YPNHMEHLOMNVAM-VIFPVBQESA-N 1 0 293.327 -1.566 20 30 CAEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC000595864325 373120750 /nfs/dbraw/zinc/12/07/50/373120750.db2.gz XSMHDEZCIQYTBA-RKDXNWHRSA-N 1 0 259.306 -1.016 20 30 CAEDRO N#Cc1ccnc(N2CCN(C(=O)C3(O)C[NH2+]C3)CC2)c1 ZINC000595918377 373122208 /nfs/dbraw/zinc/12/22/08/373122208.db2.gz AGTALGLCWZLKLJ-UHFFFAOYSA-N 1 0 287.323 -1.064 20 30 CAEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000595981513 373129342 /nfs/dbraw/zinc/12/93/42/373129342.db2.gz DMZZNLFDKGJUEG-ZWNOBZJWSA-N 1 0 280.328 -1.065 20 30 CAEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000595981512 373129462 /nfs/dbraw/zinc/12/94/62/373129462.db2.gz DMZZNLFDKGJUEG-MFKMUULPSA-N 1 0 280.328 -1.065 20 30 CAEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000595981511 373129927 /nfs/dbraw/zinc/12/99/27/373129927.db2.gz DMZZNLFDKGJUEG-GXFFZTMASA-N 1 0 280.328 -1.065 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595990533 373130212 /nfs/dbraw/zinc/13/02/12/373130212.db2.gz XFQWEAFZGFRJBR-UWVGGRQHSA-N 1 0 280.328 -1.599 20 30 CAEDRO CN(CC1C[NH+](C)C1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000596454812 373134294 /nfs/dbraw/zinc/13/42/94/373134294.db2.gz VCCXXORCUJRVSW-UHFFFAOYSA-N 1 0 277.328 -1.047 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CO)COC ZINC000602933893 373210375 /nfs/dbraw/zinc/21/03/75/373210375.db2.gz ZLQQTXRXKNXTLU-NSHDSACASA-N 1 0 259.306 -1.015 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CO)COC ZINC000602933892 373210541 /nfs/dbraw/zinc/21/05/41/373210541.db2.gz ZLQQTXRXKNXTLU-LLVKDONJSA-N 1 0 259.306 -1.015 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000601585015 373188993 /nfs/dbraw/zinc/18/89/93/373188993.db2.gz VJTQTYLCSKAFKR-GFCCVEGCSA-N 1 0 293.371 -1.006 20 30 CAEDRO C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[NH2+]1 ZINC000601581521 373190282 /nfs/dbraw/zinc/19/02/82/373190282.db2.gz IAOUKOCSWDPFQH-LBPRGKRZSA-N 1 0 293.371 -1.135 20 30 CAEDRO N#CCCN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000601851418 373191166 /nfs/dbraw/zinc/19/11/66/373191166.db2.gz MVHKZBICZVXYEI-GFCCVEGCSA-N 1 0 293.371 -1.088 20 30 CAEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)CO)nc1 ZINC000570093982 373233348 /nfs/dbraw/zinc/23/33/48/373233348.db2.gz VWDWQKRDQCJCCE-JTQLQIEISA-N 1 0 285.325 -1.330 20 30 CAEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336951107 373251833 /nfs/dbraw/zinc/25/18/33/373251833.db2.gz UJDNJXPYDRLNPL-GHMZBOCLSA-N 1 0 290.389 -1.021 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH+]2CCC2)C1=O ZINC000337312015 373255863 /nfs/dbraw/zinc/25/58/63/373255863.db2.gz DJSKXBQIDJDMFU-UHFFFAOYSA-N 1 0 294.311 -1.215 20 30 CAEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C(N)=O ZINC000228704971 373310506 /nfs/dbraw/zinc/31/05/06/373310506.db2.gz XQIQVYHEMKTKEK-GHMZBOCLSA-N 1 0 279.296 -1.266 20 30 CAEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C(N)=O ZINC000228704959 373312014 /nfs/dbraw/zinc/31/20/14/373312014.db2.gz XQIQVYHEMKTKEK-WDEREUQCSA-N 1 0 279.296 -1.266 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1=O ZINC000638771185 373472457 /nfs/dbraw/zinc/47/24/57/373472457.db2.gz WURJUZYSDHCCLY-DTWKUNHWSA-N 1 0 294.311 -1.170 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)NCCN1CCNC(=O)C1 ZINC000296879671 373504151 /nfs/dbraw/zinc/50/41/51/373504151.db2.gz LPTKJEKIPIZMEA-UHFFFAOYSA-N 1 0 295.387 -1.328 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000294004776 373504728 /nfs/dbraw/zinc/50/47/28/373504728.db2.gz PEMHQDBPOOFTBV-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCNC(=O)CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000292709681 373504770 /nfs/dbraw/zinc/50/47/70/373504770.db2.gz DZFCHOHYOCXFPQ-JTQLQIEISA-N 1 0 250.302 -1.165 20 30 CAEDRO C[NH+](C)CC(=O)N[C@@H]1CCCN(S(=O)(=O)CC#N)C1 ZINC001192974022 781961431 /nfs/dbraw/zinc/96/14/31/781961431.db2.gz ZCJGNAJVAXOWOK-SNVBAGLBSA-N 1 0 288.373 -1.018 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CC[NH3+])C1=O ZINC000349954679 373558170 /nfs/dbraw/zinc/55/81/70/373558170.db2.gz XZRBOHWFKFCHRN-QMMMGPOBSA-N 1 0 282.300 -1.183 20 30 CAEDRO C=CCNC(=O)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000520576700 373567653 /nfs/dbraw/zinc/56/76/53/373567653.db2.gz QJCDTYGMKCNYGA-VIFPVBQESA-N 1 0 268.317 -1.727 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627421196 373623096 /nfs/dbraw/zinc/62/30/96/373623096.db2.gz CXTVAKJACIFXGT-TUAOUCFPSA-N 1 0 297.355 -1.202 20 30 CAEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1=O ZINC000627504699 373627745 /nfs/dbraw/zinc/62/77/45/373627745.db2.gz BVJKPGQGVHHHAP-MNOVXSKESA-N 1 0 294.355 -1.290 20 30 CAEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1=O ZINC000627504698 373629039 /nfs/dbraw/zinc/62/90/39/373629039.db2.gz BVJKPGQGVHHHAP-GHMZBOCLSA-N 1 0 294.355 -1.290 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627427457 373632908 /nfs/dbraw/zinc/63/29/08/373632908.db2.gz FSXBSAXWMKFCAI-NSHDSACASA-N 1 0 285.344 -1.200 20 30 CAEDRO C[C@H]1CN(CCNC(=O)Cn2cnc(C#N)n2)CCO1 ZINC000610882878 373656658 /nfs/dbraw/zinc/65/66/58/373656658.db2.gz RVSWZYXUEBWTAH-JTQLQIEISA-N 1 0 278.316 -1.013 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358205835 373615875 /nfs/dbraw/zinc/61/58/75/373615875.db2.gz XQQJDBNBGGFAKZ-SNVBAGLBSA-N 1 0 276.362 -1.267 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358205834 373616652 /nfs/dbraw/zinc/61/66/52/373616652.db2.gz XQQJDBNBGGFAKZ-JTQLQIEISA-N 1 0 276.362 -1.267 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358420891 373617600 /nfs/dbraw/zinc/61/76/00/373617600.db2.gz DPQGNMHHHYVNFZ-SECBINFHSA-N 1 0 262.335 -1.264 20 30 CAEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C(N)=O)cc1 ZINC000228684123 373663591 /nfs/dbraw/zinc/66/35/91/373663591.db2.gz HKWWDLRTGKTZBR-CMPLNLGQSA-N 1 0 279.296 -1.266 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)[NH2+]C)C1=O ZINC000261871001 373680936 /nfs/dbraw/zinc/68/09/36/373680936.db2.gz ZQEHKSPUAOAMDL-QMMMGPOBSA-N 1 0 282.300 -1.313 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH+](C)C)C1=O ZINC000264944226 373687566 /nfs/dbraw/zinc/68/75/66/373687566.db2.gz AWXCQKBIBDKYOA-UHFFFAOYSA-N 1 0 282.300 -1.359 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193016249 781961974 /nfs/dbraw/zinc/96/19/74/781961974.db2.gz WKWBAOBWSLQGTN-GHMZBOCLSA-N 1 0 296.331 -1.963 20 30 CAEDRO C=CCOCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514951501 373723313 /nfs/dbraw/zinc/72/33/13/373723313.db2.gz SCUNXQAPOUFFHR-ZJUUUORDSA-N 1 0 253.302 -1.041 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH2+]C)C1=O ZINC000429098352 373732030 /nfs/dbraw/zinc/73/20/30/373732030.db2.gz OZJROMWJZWLIOI-UHFFFAOYSA-N 1 0 268.273 -1.701 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)C[NH2+]C)C1=O ZINC000429240974 373733835 /nfs/dbraw/zinc/73/38/35/373733835.db2.gz KVVYEVIFYXZJEG-VIFPVBQESA-N 1 0 296.327 -1.065 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000304707977 373828523 /nfs/dbraw/zinc/82/85/23/373828523.db2.gz LEKVYYCNUJCRBA-LBPRGKRZSA-N 1 0 251.330 -1.170 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530227936 373888300 /nfs/dbraw/zinc/88/83/00/373888300.db2.gz KDCWMYXXXIDOGW-UHFFFAOYSA-N 1 0 295.387 -1.069 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001193168057 781963533 /nfs/dbraw/zinc/96/35/33/781963533.db2.gz ZVQAWQJOMJSVMB-QJPTWQEYSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001193156386 781963578 /nfs/dbraw/zinc/96/35/78/781963578.db2.gz DHEFCZPLGAPSIF-IJLUTSLNSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566689609 373949879 /nfs/dbraw/zinc/94/98/79/373949879.db2.gz AYUMWFUWEPPKIG-NXEZZACHSA-N 1 0 295.343 -1.758 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001193168056 781964278 /nfs/dbraw/zinc/96/42/78/781964278.db2.gz ZVQAWQJOMJSVMB-IJLUTSLNSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=C(CC)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565728628 373941035 /nfs/dbraw/zinc/94/10/35/373941035.db2.gz QGKVJUUFKYGXAC-QWRGUYRKSA-N 1 0 294.355 -1.161 20 30 CAEDRO C=C(CC)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565728626 373942097 /nfs/dbraw/zinc/94/20/97/373942097.db2.gz QGKVJUUFKYGXAC-GHMZBOCLSA-N 1 0 294.355 -1.161 20 30 CAEDRO C=CCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579006238 373997696 /nfs/dbraw/zinc/99/76/96/373997696.db2.gz MVFHXFLZDWUYCM-ZJUUUORDSA-N 1 0 252.318 -1.468 20 30 CAEDRO C=CCCOCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579572808 374003059 /nfs/dbraw/zinc/00/30/59/374003059.db2.gz MNULPDVOXPQMOC-GFCCVEGCSA-N 1 0 298.387 -1.203 20 30 CAEDRO C=CC[NH+]1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC000568146649 373966059 /nfs/dbraw/zinc/96/60/59/373966059.db2.gz VSHJZZYVXWOSGY-UHFFFAOYSA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001193165437 781964789 /nfs/dbraw/zinc/96/47/89/781964789.db2.gz FNHHMMZDMWUNLK-QJPTWQEYSA-N 1 0 297.355 -1.678 20 30 CAEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000578359360 373990542 /nfs/dbraw/zinc/99/05/42/373990542.db2.gz WGVYMBSZDPHHNH-LPEHRKFASA-N 1 0 268.317 -1.021 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405384915 374056153 /nfs/dbraw/zinc/05/61/53/374056153.db2.gz KPTXGEJMGLRKEG-WDEREUQCSA-N 1 0 282.344 -1.251 20 30 CAEDRO Cn1c(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(C#N)c(=O)n(C)c1=O ZINC000603833199 374064117 /nfs/dbraw/zinc/06/41/17/374064117.db2.gz ABKZYSZNFUQZJU-IUCAKERBSA-N 1 0 275.312 -1.389 20 30 CAEDRO C=CCNC(=O)CN1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623821525 374091732 /nfs/dbraw/zinc/09/17/32/374091732.db2.gz WCVDOBFYHCYEPS-UHFFFAOYSA-N 1 0 292.347 -1.879 20 30 CAEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C(N)=O ZINC000228704982 374143005 /nfs/dbraw/zinc/14/30/05/374143005.db2.gz XQIQVYHEMKTKEK-QWRGUYRKSA-N 1 0 279.296 -1.266 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327830 781967490 /nfs/dbraw/zinc/96/74/90/781967490.db2.gz RCDNKVDXUPXKJM-VXGBXAGGSA-N 1 0 295.343 -1.358 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193499299 781969162 /nfs/dbraw/zinc/96/91/62/781969162.db2.gz JGBLVVYSSVLMLK-VXGBXAGGSA-N 1 0 297.355 -1.676 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193473491 781969524 /nfs/dbraw/zinc/96/95/24/781969524.db2.gz QYGFKYXDCBFVSM-GHMZBOCLSA-N 1 0 285.344 -1.562 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193483497 781970231 /nfs/dbraw/zinc/97/02/31/781970231.db2.gz WCPAXNNJPBKMNW-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193483495 781970555 /nfs/dbraw/zinc/97/05/55/781970555.db2.gz VXUTWRQGAPOPAK-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193455812 781970634 /nfs/dbraw/zinc/97/06/34/781970634.db2.gz GYJJANFSCKATAI-NXEZZACHSA-N 1 0 291.373 -1.727 20 30 CAEDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC(=O)NCC#N)C1 ZINC000345026888 532978770 /nfs/dbraw/zinc/97/87/70/532978770.db2.gz ZGYWNRCVWNTIQJ-SNVBAGLBSA-N 1 0 283.332 -1.354 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947042 781982766 /nfs/dbraw/zinc/98/27/66/781982766.db2.gz FSGYMAHLJDGIJP-NXEZZACHSA-N 1 0 267.329 -1.318 20 30 CAEDRO C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001194374855 781988557 /nfs/dbraw/zinc/98/85/57/781988557.db2.gz BETRMEOCDATUSV-GHMZBOCLSA-N 1 0 281.316 -1.218 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCCOCC ZINC001152202784 782004221 /nfs/dbraw/zinc/00/42/21/782004221.db2.gz QGRMGSRIRVEVPR-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001195295103 782005194 /nfs/dbraw/zinc/00/51/94/782005194.db2.gz SOVUQQNKAPWTLC-GMTAPVOTSA-N 1 0 267.329 -1.318 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195690763 782011151 /nfs/dbraw/zinc/01/11/51/782011151.db2.gz FARCKUZGRDEGFM-HBNTYKKESA-N 1 0 298.343 -1.968 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195690760 782011281 /nfs/dbraw/zinc/01/12/81/782011281.db2.gz FARCKUZGRDEGFM-GMTAPVOTSA-N 1 0 298.343 -1.968 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)[NH3+])C1=O ZINC000648129304 409320114 /nfs/dbraw/zinc/32/01/14/409320114.db2.gz RSLHIIPJKJKDQV-SSDOTTSWSA-N 1 0 268.273 -1.573 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H](C)[NH3+])C1=O ZINC000648145122 409323601 /nfs/dbraw/zinc/32/36/01/409323601.db2.gz FHPYUGNEOTXIRI-YUMQZZPRSA-N 1 0 282.300 -1.185 20 30 CAEDRO C=CCN1CC[C@H](N(CC[NH3+])C[C@@H](O)CO)C1=O ZINC000662289347 409324042 /nfs/dbraw/zinc/32/40/42/409324042.db2.gz ZVBABXZRYJNGFO-MNOVXSKESA-N 1 0 257.334 -1.613 20 30 CAEDRO C=CCN1CC[C@@H](N(CC[NH3+])C[C@@H](O)CO)C1=O ZINC000662289342 409324144 /nfs/dbraw/zinc/32/41/44/409324144.db2.gz ZVBABXZRYJNGFO-GHMZBOCLSA-N 1 0 257.334 -1.613 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000491542776 409370294 /nfs/dbraw/zinc/37/02/94/409370294.db2.gz BXPLMLGUBWCQMM-UHFFFAOYSA-N 1 0 273.358 -1.121 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000491474607 409370417 /nfs/dbraw/zinc/37/04/17/409370417.db2.gz OFDLKSPLXMGXCG-VHSXEESVSA-N 1 0 263.297 -1.056 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000491624329 409371317 /nfs/dbraw/zinc/37/13/17/409371317.db2.gz GJVMJTLMVWDVCY-GFCCVEGCSA-N 1 0 269.345 -1.591 20 30 CAEDRO C#CCN1CCN(C(=O)CN2CCn3nncc3C2)CC1 ZINC000491726237 409374650 /nfs/dbraw/zinc/37/46/50/409374650.db2.gz CVQRWUXRIZOBDB-UHFFFAOYSA-N 1 0 288.355 -1.129 20 30 CAEDRO C=CCn1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)nn1 ZINC000647689075 409381489 /nfs/dbraw/zinc/38/14/89/409381489.db2.gz QDRYLKOYXXQKJU-UHFFFAOYSA-N 1 0 292.343 -1.032 20 30 CAEDRO C=C[C@H](CO)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000662165864 409406341 /nfs/dbraw/zinc/40/63/41/409406341.db2.gz SHQGNQYEPMKAKY-SNVBAGLBSA-N 1 0 255.318 -1.139 20 30 CAEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000662165757 409407091 /nfs/dbraw/zinc/40/70/91/409407091.db2.gz NXDMEDGQJLZTPP-GFCCVEGCSA-N 1 0 298.387 -1.645 20 30 CAEDRO CNC(=O)CNC(=[NH+]C)N1CCC[C@@H](CC(N)=O)C1 ZINC000261841883 409411137 /nfs/dbraw/zinc/41/11/37/409411137.db2.gz WSNCNZQJSDHVPV-VIFPVBQESA-N 1 0 269.349 -1.105 20 30 CAEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)NC[C@@H]1CCCO1 ZINC000263139457 409411786 /nfs/dbraw/zinc/41/17/86/409411786.db2.gz UYHHIKFEPQDWOM-VIFPVBQESA-N 1 0 283.332 -1.118 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051181441 409424577 /nfs/dbraw/zinc/42/45/77/409424577.db2.gz DKUKMROJSLIBMV-UHFFFAOYSA-N 1 0 268.361 -1.006 20 30 CAEDRO C#CCNC(=O)CC[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000293181003 409427588 /nfs/dbraw/zinc/42/75/88/409427588.db2.gz SOKRIMVCBDQBTG-SNVBAGLBSA-N 1 0 255.318 -1.052 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000519594877 409446702 /nfs/dbraw/zinc/44/67/02/409446702.db2.gz LHPOEQBBMPCDEI-SNVBAGLBSA-N 1 0 254.334 -1.268 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001195648866 782011631 /nfs/dbraw/zinc/01/16/31/782011631.db2.gz WGRXVPPPKIKYBE-CHWSQXEVSA-N 1 0 292.339 -1.017 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000659735109 409474433 /nfs/dbraw/zinc/47/44/33/409474433.db2.gz IAJOHCPGRGZZDF-NSHDSACASA-N 1 0 285.344 -1.119 20 30 CAEDRO N#CCC1(O)CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000376131723 409470125 /nfs/dbraw/zinc/47/01/25/409470125.db2.gz MFWZWMLEVZQQTI-LLVKDONJSA-N 1 0 264.329 -1.137 20 30 CAEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000659732220 409474615 /nfs/dbraw/zinc/47/46/15/409474615.db2.gz BVJKPGQGVHHHAP-QWRGUYRKSA-N 1 0 294.355 -1.290 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286357903 409476609 /nfs/dbraw/zinc/47/66/09/409476609.db2.gz XZQFLDWAKJMPGJ-JOYOIKCWSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649283004 409505364 /nfs/dbraw/zinc/50/53/64/409505364.db2.gz ZYFYBHLYGJYAPP-IMRBUKKESA-N 1 0 292.383 -1.102 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656062879 409526882 /nfs/dbraw/zinc/52/68/82/409526882.db2.gz SZPIRFZRHDQLJP-WDEREUQCSA-N 1 0 267.329 -1.092 20 30 CAEDRO Cn1c(NC[C@](C)(O)C[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000132960464 409546419 /nfs/dbraw/zinc/54/64/19/409546419.db2.gz RDCLVLJGWBNCCO-ZDUSSCGKSA-N 1 0 295.343 -1.320 20 30 CAEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)C[NH2+]C)C1=O ZINC000659755295 409573245 /nfs/dbraw/zinc/57/32/45/409573245.db2.gz XTZQOYKJXSSVKQ-GHMZBOCLSA-N 1 0 296.371 -1.044 20 30 CAEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1=O ZINC000659755299 409574421 /nfs/dbraw/zinc/57/44/21/409574421.db2.gz XTZQOYKJXSSVKQ-QWRGUYRKSA-N 1 0 296.371 -1.044 20 30 CAEDRO C=C[C@H](CO)[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC000662167039 409584887 /nfs/dbraw/zinc/58/48/87/409584887.db2.gz OZDCSSSJECGLAW-SECBINFHSA-N 1 0 274.346 -1.165 20 30 CAEDRO C=CCCn1cc(CN(CC[NH3+])C[C@@H](O)CO)nn1 ZINC000662287465 409591522 /nfs/dbraw/zinc/59/15/22/409591522.db2.gz AKFNSGNEUHFTFL-GFCCVEGCSA-N 1 0 269.349 -1.032 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662669157 409601742 /nfs/dbraw/zinc/60/17/42/409601742.db2.gz AHEXRAQWCFVYMG-UHFFFAOYSA-N 1 0 282.344 -2.233 20 30 CAEDRO C[NH+](C)CCn1ccc(NC(=O)NCC(=O)NCC#N)n1 ZINC000588253076 409644019 /nfs/dbraw/zinc/64/40/19/409644019.db2.gz XRHLZSVNMLLNRM-UHFFFAOYSA-N 1 0 293.331 -0.794 20 30 CAEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC(N)=O ZINC000535544913 409734968 /nfs/dbraw/zinc/73/49/68/409734968.db2.gz BEELNEKNBWEGPB-UHFFFAOYSA-N 1 0 279.304 -1.077 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783700 782017592 /nfs/dbraw/zinc/01/75/92/782017592.db2.gz QUZVTYWEIVHPOK-NXEZZACHSA-N 1 0 265.313 -1.564 20 30 CAEDRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O ZINC001195850570 782020179 /nfs/dbraw/zinc/02/01/79/782020179.db2.gz LPIZTKQISWVSBH-GHMZBOCLSA-N 1 0 297.359 -2.261 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001196012211 782023471 /nfs/dbraw/zinc/02/34/71/782023471.db2.gz MNDQYYCGMPVURX-GMTAPVOTSA-N 1 0 256.302 -1.558 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001196028680 782025146 /nfs/dbraw/zinc/02/51/46/782025146.db2.gz ASOLNVBMYIUSDX-UTUOFQBUSA-N 1 0 270.329 -1.168 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196185185 782025959 /nfs/dbraw/zinc/02/59/59/782025959.db2.gz QYZFHUFTUYXIHQ-WRWGMCAJSA-N 1 0 297.355 -1.528 20 30 CAEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001196094877 782026024 /nfs/dbraw/zinc/02/60/24/782026024.db2.gz SNDGVLVKXIIZGE-AEJSXWLSSA-N 1 0 280.328 -1.708 20 30 CAEDRO C[NH+](C)CCN1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000425942554 230287852 /nfs/dbraw/zinc/28/78/52/230287852.db2.gz NHMNBXPHFRNCHJ-UHFFFAOYSA-N 1 0 291.359 -1.144 20 30 CAEDRO C=CC[N@H+]1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001196324829 782032091 /nfs/dbraw/zinc/03/20/91/782032091.db2.gz ALMHODCMVKMFJI-UHFFFAOYSA-N 1 0 296.371 -1.041 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196235492 782033095 /nfs/dbraw/zinc/03/30/95/782033095.db2.gz VURIUXLDNCOYCM-CHWSQXEVSA-N 1 0 291.355 -1.068 20 30 CAEDRO CN1CCO[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 ZINC000408059723 260205382 /nfs/dbraw/zinc/20/53/82/260205382.db2.gz BDWYTUNBVAYTQF-LLVKDONJSA-N 1 0 280.328 -1.099 20 30 CAEDRO N#Cc1cccnc1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001196564719 782037258 /nfs/dbraw/zinc/03/72/58/782037258.db2.gz VORHQEHRUJFVNM-DCAQKATOSA-N 1 0 273.300 -1.914 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)NC ZINC000491761914 262012950 /nfs/dbraw/zinc/01/29/50/262012950.db2.gz XZEHVGWEOZTPKS-UHFFFAOYSA-N 1 0 276.362 -1.889 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000491789040 262052739 /nfs/dbraw/zinc/05/27/39/262052739.db2.gz UEPUIEUILXPPKG-AATRIKPKSA-N 1 0 292.383 -1.002 20 30 CAEDRO [NH2+]=C(NCCNC(=O)c1ccn[nH]1)N1CCOCC1 ZINC000262522620 262776030 /nfs/dbraw/zinc/77/60/30/262776030.db2.gz FKFGFWRBNBRQPH-UHFFFAOYSA-N 1 0 266.305 -1.214 20 30 CAEDRO C[NH+]=C(NCCn1cncn1)NCCN1CCOCC1 ZINC000264998219 262898218 /nfs/dbraw/zinc/89/82/18/262898218.db2.gz UKMBGBCGAPBQFV-UHFFFAOYSA-N 1 0 281.364 -1.225 20 30 CAEDRO COCCNC(=[NH2+])NCCNC(=O)c1ccn[nH]1 ZINC000272475901 263005122 /nfs/dbraw/zinc/00/51/22/263005122.db2.gz ZZJNPUDGJKKIHD-UHFFFAOYSA-N 1 0 254.294 -1.310 20 30 CAEDRO N#CCCN(CCN1CCOCC1)C(=O)Cn1cnnn1 ZINC000299517164 263245010 /nfs/dbraw/zinc/24/50/10/263245010.db2.gz KJUMBDPRMCXILA-UHFFFAOYSA-N 1 0 293.331 -1.252 20 30 CAEDRO C=CCN(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000121626958 263296018 /nfs/dbraw/zinc/29/60/18/263296018.db2.gz SBRLAYCDCDTXGG-UHFFFAOYSA-N 1 0 266.301 -1.033 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762161 264026626 /nfs/dbraw/zinc/02/66/26/264026626.db2.gz PBXAQPYIUIKLJL-GFCCVEGCSA-N 1 0 280.372 -1.170 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)CS(=O)(=O)NC ZINC000293985978 264992864 /nfs/dbraw/zinc/99/28/64/264992864.db2.gz NJDKCLFUEODRKH-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CN1CCOCC1=O ZINC000294066592 265005729 /nfs/dbraw/zinc/00/57/29/265005729.db2.gz VNJGJLMMGBGSDH-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO N#Cc1cccnc1C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001196564724 782038087 /nfs/dbraw/zinc/03/80/87/782038087.db2.gz VORHQEHRUJFVNM-OUAUKWLOSA-N 1 0 273.300 -1.914 20 30 CAEDRO CN(C)C[C@@H](CO)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000519155423 265342655 /nfs/dbraw/zinc/34/26/55/265342655.db2.gz DSTZUPMBJAUCLJ-RYUDHWBXSA-N 1 0 258.366 -1.295 20 30 CAEDRO CN(C)C[C@H](CO)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000519155424 265342962 /nfs/dbraw/zinc/34/29/62/265342962.db2.gz DSTZUPMBJAUCLJ-VXGBXAGGSA-N 1 0 258.366 -1.295 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCCCC[NH3+])C1=O ZINC000357817291 266371106 /nfs/dbraw/zinc/37/11/06/266371106.db2.gz QSIPTTBLRQUBCF-UHFFFAOYSA-N 1 0 282.300 -1.182 20 30 CAEDRO CC(C)(O)C[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000358313132 266452600 /nfs/dbraw/zinc/45/26/00/266452600.db2.gz NCUKEYUWEKCQQJ-UHFFFAOYSA-N 1 0 297.359 -1.276 20 30 CAEDRO C=CC[N@H+]1CCCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001196656424 782040167 /nfs/dbraw/zinc/04/01/67/782040167.db2.gz PQVHUNQRLXEOQO-UHFFFAOYSA-N 1 0 290.389 -1.240 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196740254 782040312 /nfs/dbraw/zinc/04/03/12/782040312.db2.gz YGKIOMOPPMTFKO-GHMZBOCLSA-N 1 0 267.329 -1.351 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC ZINC001114310960 782040409 /nfs/dbraw/zinc/04/04/09/782040409.db2.gz FRQXEXNDZKYBID-NNYUYHANSA-N 1 0 299.396 -1.006 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739027 782041176 /nfs/dbraw/zinc/04/11/76/782041176.db2.gz IDBMNODOXBNDEV-VXGBXAGGSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196954544 782045035 /nfs/dbraw/zinc/04/50/35/782045035.db2.gz ZXNHLNGVIFHPRC-ZIAGYGMSSA-N 1 0 295.383 -1.107 20 30 CAEDRO C[C@H](C[NH+](C)C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000344897062 278177990 /nfs/dbraw/zinc/17/79/90/278177990.db2.gz FFUYEVZTHGNXLW-ZJUUUORDSA-N 1 0 276.362 -1.005 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197253745 782051578 /nfs/dbraw/zinc/05/15/78/782051578.db2.gz MZEPIVNVUABPIR-ZIAGYGMSSA-N 1 0 295.383 -1.108 20 30 CAEDRO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1 ZINC001197253282 782052358 /nfs/dbraw/zinc/05/23/58/782052358.db2.gz KGFHFDCDBQXFCB-CHWSQXEVSA-N 1 0 296.371 -1.218 20 30 CAEDRO C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)NCC#N)CC1=O ZINC000343535976 289157265 /nfs/dbraw/zinc/15/72/65/289157265.db2.gz YRCCQHAFIDEVOC-JTQLQIEISA-N 1 0 295.343 -1.848 20 30 CAEDRO C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)NCC#N)CC1=O ZINC000343535978 289158997 /nfs/dbraw/zinc/15/89/97/289158997.db2.gz YRCCQHAFIDEVOC-SNVBAGLBSA-N 1 0 295.343 -1.848 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001197649718 782055810 /nfs/dbraw/zinc/05/58/10/782055810.db2.gz GNFPFZWXXQACFA-GHMZBOCLSA-N 1 0 295.343 -1.289 20 30 CAEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784216 782058673 /nfs/dbraw/zinc/05/86/73/782058673.db2.gz UCCIVTIBTAPLLQ-VXGBXAGGSA-N 1 0 271.361 -1.088 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)CC ZINC001152383908 782060702 /nfs/dbraw/zinc/06/07/02/782060702.db2.gz MGYAKWPIMGSMIA-UHFFFAOYSA-N 1 0 291.373 -1.571 20 30 CAEDRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152383865 782062305 /nfs/dbraw/zinc/06/23/05/782062305.db2.gz KQHZNPVZUUJNNH-UHFFFAOYSA-N 1 0 290.345 -2.233 20 30 CAEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001198689652 782069127 /nfs/dbraw/zinc/06/91/27/782069127.db2.gz PGMKDDLDPTXZJQ-YNEHKIRRSA-N 1 0 296.371 -1.360 20 30 CAEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198652721 782069192 /nfs/dbraw/zinc/06/91/92/782069192.db2.gz ACCDAZNKLMIIAT-MGPQQGTHSA-N 1 0 295.383 -1.251 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)COC)CC1 ZINC001199001707 782072890 /nfs/dbraw/zinc/07/28/90/782072890.db2.gz KPGGXZHRXOUCTK-UHFFFAOYSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 ZINC001199042462 782073372 /nfs/dbraw/zinc/07/33/72/782073372.db2.gz BMBOMJVLRDIJNB-GHMZBOCLSA-N 1 0 296.371 -1.121 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199523919 782082367 /nfs/dbraw/zinc/08/23/67/782082367.db2.gz NMSZMSWLQSGXFW-CHWSQXEVSA-N 1 0 291.355 -1.068 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC001251891353 782083352 /nfs/dbraw/zinc/08/33/52/782083352.db2.gz QUYZBNOUBVKRFU-CYBMUJFWSA-N 1 0 283.372 -1.249 20 30 CAEDRO COCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001199591010 782084039 /nfs/dbraw/zinc/08/40/39/782084039.db2.gz LVULJLNMNGNAOW-LLVKDONJSA-N 1 0 298.343 -1.520 20 30 CAEDRO COCC#CC[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199274627 782076828 /nfs/dbraw/zinc/07/68/28/782076828.db2.gz VACKRZSNKKIEKL-UHFFFAOYSA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)COC)CCCO1 ZINC001199591067 782083946 /nfs/dbraw/zinc/08/39/46/782083946.db2.gz NJAYYBOFAFLKGQ-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000571636976 328151829 /nfs/dbraw/zinc/15/18/29/328151829.db2.gz WQDNYCANBRZCLB-NSHDSACASA-N 1 0 294.359 -1.065 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000571636975 328151840 /nfs/dbraw/zinc/15/18/40/328151840.db2.gz WQDNYCANBRZCLB-LLVKDONJSA-N 1 0 294.359 -1.065 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001251894290 782085987 /nfs/dbraw/zinc/08/59/87/782085987.db2.gz RLWLPVGWOPOTAJ-BXKDBHETSA-N 1 0 254.286 -1.218 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199788531 782088087 /nfs/dbraw/zinc/08/80/87/782088087.db2.gz ZDCHOYIQGBQOFP-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC001199904350 782089078 /nfs/dbraw/zinc/08/90/78/782089078.db2.gz QISBVHKWCITUAP-SNVBAGLBSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC001199904349 782089453 /nfs/dbraw/zinc/08/94/53/782089453.db2.gz QISBVHKWCITUAP-JTQLQIEISA-N 1 0 294.355 -1.420 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC001199911299 782089574 /nfs/dbraw/zinc/08/95/74/782089574.db2.gz KTSAHBOEEDUIHG-UHFFFAOYSA-N 1 0 281.316 -1.918 20 30 CAEDRO C=CCOCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200109462 782092517 /nfs/dbraw/zinc/09/25/17/782092517.db2.gz ULSFECXEKOKSFF-NSHDSACASA-N 1 0 285.344 -1.119 20 30 CAEDRO C=CCOCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200109461 782092535 /nfs/dbraw/zinc/09/25/35/782092535.db2.gz ULSFECXEKOKSFF-LLVKDONJSA-N 1 0 285.344 -1.119 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200116650 782092991 /nfs/dbraw/zinc/09/29/91/782092991.db2.gz ZJMCCJRMIJNOJM-UWVGGRQHSA-N 1 0 268.317 -1.162 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001200178026 782093960 /nfs/dbraw/zinc/09/39/60/782093960.db2.gz CPWNJPHMWLZNDH-UHFFFAOYSA-N 1 0 267.329 -1.301 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200143643 782094530 /nfs/dbraw/zinc/09/45/30/782094530.db2.gz DVWKMVFGUBMJHI-GFCCVEGCSA-N 1 0 297.355 -1.281 20 30 CAEDRO COCCNC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O ZINC000133351139 328496723 /nfs/dbraw/zinc/49/67/23/328496723.db2.gz REXMCIXRNSAOOR-SECBINFHSA-N 1 0 278.378 -1.039 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000583511408 328589598 /nfs/dbraw/zinc/58/95/98/328589598.db2.gz CGJFZZNAARKIOL-LBPRGKRZSA-N 1 0 295.387 -1.022 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000037803062 326862453 /nfs/dbraw/zinc/86/24/53/326862453.db2.gz HMSDEGFXVNMUKF-VXGBXAGGSA-N 1 0 296.371 -1.844 20 30 CAEDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC#CCO)c1 ZINC000569456392 327179735 /nfs/dbraw/zinc/17/97/35/327179735.db2.gz HSGHQRPSCWYTTB-SNVBAGLBSA-N 1 0 254.246 -1.263 20 30 CAEDRO C=C(C)COCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570188867 327575233 /nfs/dbraw/zinc/57/52/33/327575233.db2.gz HZVZINQXQSZECJ-GFCCVEGCSA-N 1 0 298.387 -1.203 20 30 CAEDRO CN(CCC#N)S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000520229600 328717081 /nfs/dbraw/zinc/71/70/81/328717081.db2.gz XSFCZWDVVLLUKG-SNVBAGLBSA-N 1 0 275.378 -1.430 20 30 CAEDRO C#CCNC(=O)[C@@H](C)N1CCN2C(=O)NC[C@@H]2C1 ZINC000175923057 329170884 /nfs/dbraw/zinc/17/08/84/329170884.db2.gz SKVLJXVOZOPPNI-NXEZZACHSA-N 1 0 250.302 -1.166 20 30 CAEDRO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C[NH3+])C1 ZINC000584524546 329511451 /nfs/dbraw/zinc/51/14/51/329511451.db2.gz NHALHGAFZIPFBY-QJPTWQEYSA-N 1 0 293.371 -1.104 20 30 CAEDRO CS(=O)(=O)NCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261943716 329990199 /nfs/dbraw/zinc/99/01/99/329990199.db2.gz FDFDPFQBCLJTDT-MRVPVSSYSA-N 1 0 264.351 -1.381 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]([NH3+])C2CC2)C1=O ZINC000261976325 329993181 /nfs/dbraw/zinc/99/31/81/329993181.db2.gz VKOSXFBLMOFQJH-SECBINFHSA-N 1 0 294.311 -1.183 20 30 CAEDRO CCS(=O)(=O)NCCNC(=[NH2+])N1CCOCC1 ZINC000261983650 329994298 /nfs/dbraw/zinc/99/42/98/329994298.db2.gz JDLSWMLKPZJHSN-UHFFFAOYSA-N 1 0 264.351 -1.427 20 30 CAEDRO CC(=O)N1CCN(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000261990863 329994999 /nfs/dbraw/zinc/99/49/99/329994999.db2.gz LWFOURMXMSYDDN-UHFFFAOYSA-N 1 0 283.376 -1.203 20 30 CAEDRO [NH2+]=C(NCCN1CCNC(=O)C1)NC[C@@H]1CCCO1 ZINC000262155034 330000919 /nfs/dbraw/zinc/00/09/19/330000919.db2.gz BETSIAOAKOOBDT-JTQLQIEISA-N 1 0 269.349 -1.499 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262318036 330005719 /nfs/dbraw/zinc/00/57/19/330005719.db2.gz RDYIXVGTLMOCQS-UHFFFAOYSA-N 1 0 281.360 -1.043 20 30 CAEDRO CN(C)S(=O)(=O)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262407365 330008273 /nfs/dbraw/zinc/00/82/73/330008273.db2.gz WSHORPXHBNAIEU-SECBINFHSA-N 1 0 278.378 -1.039 20 30 CAEDRO CS(=O)(=O)N1CC(CNC(=[NH2+])N2CCOCC2)C1 ZINC000262407533 330008282 /nfs/dbraw/zinc/00/82/82/330008282.db2.gz BSZPTAPKXISXBK-UHFFFAOYSA-N 1 0 276.362 -1.475 20 30 CAEDRO C[C@H]1CN(C(=[NH2+])NCCN2C(=O)CNC2=O)CCO1 ZINC000262434018 330010439 /nfs/dbraw/zinc/01/04/39/330010439.db2.gz FTPNFGMORDEHNJ-QMMMGPOBSA-N 1 0 269.305 -1.426 20 30 CAEDRO C[C@@H]1CN(C(=[NH2+])NCCN2C(=O)CNC2=O)CCO1 ZINC000262434016 330010538 /nfs/dbraw/zinc/01/05/38/330010538.db2.gz FTPNFGMORDEHNJ-MRVPVSSYSA-N 1 0 269.305 -1.426 20 30 CAEDRO COCCNC(=O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262443847 330013303 /nfs/dbraw/zinc/01/33/03/330013303.db2.gz IIKDXJXFZKHVFN-SECBINFHSA-N 1 0 258.322 -1.216 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([NH3+])C2)C1=O ZINC000262509768 330017929 /nfs/dbraw/zinc/01/79/29/330017929.db2.gz MOKWWEFSICJNBS-VIFPVBQESA-N 1 0 294.311 -1.087 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C[NH3+])C2CC2)C1=O ZINC000262589315 330018065 /nfs/dbraw/zinc/01/80/65/330018065.db2.gz RIGMXDDPUMKZBO-SECBINFHSA-N 1 0 294.311 -1.183 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)C[NH3+])C1=O ZINC000262547120 330018151 /nfs/dbraw/zinc/01/81/51/330018151.db2.gz MSMAEQAYJLGLBI-UHFFFAOYSA-N 1 0 282.300 -1.183 20 30 CAEDRO [NH2+]=C(NCCN1C(=O)CNC1=O)N1CCSCC1 ZINC000262524875 330019524 /nfs/dbraw/zinc/01/95/24/330019524.db2.gz KHXYPBUKBRLQDE-UHFFFAOYSA-N 1 0 271.346 -1.098 20 30 CAEDRO [NH2+]=C(NCCN1C(=O)CNC1=O)NC[C@@H]1CCCO1 ZINC000262523686 330023052 /nfs/dbraw/zinc/02/30/52/330023052.db2.gz FWVNRNWMBMRRRZ-QMMMGPOBSA-N 1 0 269.305 -1.379 20 30 CAEDRO CN1CC[NH+]=C1NCCNS(=O)(=O)Cc1ccon1 ZINC000262626503 330023314 /nfs/dbraw/zinc/02/33/14/330023314.db2.gz DMTDREONPFKWCR-UHFFFAOYSA-N 1 0 287.345 -1.015 20 30 CAEDRO CNC(NCCNS(=O)(=O)Cc1ccon1)=[NH+]C ZINC000262690136 330027480 /nfs/dbraw/zinc/02/74/80/330027480.db2.gz FWDBKSMTXXWJMN-UHFFFAOYSA-N 1 0 275.334 -1.111 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[NH2+]C)C1=O ZINC000262782887 330028092 /nfs/dbraw/zinc/02/80/92/330028092.db2.gz YQVZVWJFZANBEJ-UHFFFAOYSA-N 1 0 282.300 -1.311 20 30 CAEDRO COC[C@@H](C)NC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000263114272 330044251 /nfs/dbraw/zinc/04/42/51/330044251.db2.gz BVDOYUKJJGBYIY-SECBINFHSA-N 1 0 258.322 -1.216 20 30 CAEDRO COC[C@H](C)NC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000263114277 330044290 /nfs/dbraw/zinc/04/42/90/330044290.db2.gz BVDOYUKJJGBYIY-VIFPVBQESA-N 1 0 258.322 -1.216 20 30 CAEDRO CC(C)NS(=O)(=O)NCCNC(=[NH2+])NC1CC1 ZINC000263243660 330050334 /nfs/dbraw/zinc/05/03/34/330050334.db2.gz HBXZVWGVWJBMSW-UHFFFAOYSA-N 1 0 263.367 -1.115 20 30 CAEDRO CNC(=O)CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000263257495 330050979 /nfs/dbraw/zinc/05/09/79/330050979.db2.gz RFEUFJPKKULFHG-UHFFFAOYSA-N 1 0 277.332 -1.341 20 30 CAEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CCN(C(C)=O)CC1 ZINC000263280007 330051606 /nfs/dbraw/zinc/05/16/06/330051606.db2.gz ZUZYSABXQPNGEM-UHFFFAOYSA-N 1 0 290.389 -1.230 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[NH+](C)C)C1=O ZINC000267153620 330064804 /nfs/dbraw/zinc/06/48/04/330064804.db2.gz XEIIGDDGXIGDSQ-UHFFFAOYSA-N 1 0 296.327 -1.017 20 30 CAEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH2+]C)C2)C1=O ZINC000269133982 330068002 /nfs/dbraw/zinc/06/80/02/330068002.db2.gz POYNUQAHXGEGIW-SECBINFHSA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000271946150 330082902 /nfs/dbraw/zinc/08/29/02/330082902.db2.gz ACAGHGSALFMZKB-LLVKDONJSA-N 1 0 296.371 -1.185 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H](C)[NH2+]1 ZINC000423273018 330184786 /nfs/dbraw/zinc/18/47/86/330184786.db2.gz KDYAXEFLIYPSJO-GMTAPVOTSA-N 1 0 280.328 -1.054 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)[C@H](C)C[NH2+]1 ZINC000423642423 330213429 /nfs/dbraw/zinc/21/34/29/330213429.db2.gz XABJDENSYKBLJJ-GMTAPVOTSA-N 1 0 280.328 -1.054 20 30 CAEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)C[NH2+]1 ZINC000423642436 330213476 /nfs/dbraw/zinc/21/34/76/330213476.db2.gz XABJDENSYKBLJJ-VWYCJHECSA-N 1 0 280.328 -1.054 20 30 CAEDRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424170436 330310842 /nfs/dbraw/zinc/31/08/42/330310842.db2.gz AZEMFDODVZPHFI-UWVGGRQHSA-N 1 0 296.327 -1.102 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)nn1 ZINC000424546384 330373356 /nfs/dbraw/zinc/37/33/56/330373356.db2.gz NDIYEKKSFYZDIL-SNVBAGLBSA-N 1 0 292.343 -1.099 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)nn1 ZINC000424546382 330373364 /nfs/dbraw/zinc/37/33/64/330373364.db2.gz NDIYEKKSFYZDIL-JTQLQIEISA-N 1 0 292.343 -1.099 20 30 CAEDRO CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000424549125 330374090 /nfs/dbraw/zinc/37/40/90/330374090.db2.gz QYYIBRCTRSSYCY-VLEAKVRGSA-N 1 0 280.328 -1.414 20 30 CAEDRO C=CCn1cc(CNC(=O)C(=O)N2CCC[NH2+]CC2)nn1 ZINC000424551542 330374449 /nfs/dbraw/zinc/37/44/49/330374449.db2.gz WHKNPBTXFCJWBQ-UHFFFAOYSA-N 1 0 292.343 -1.098 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000159303991 330845971 /nfs/dbraw/zinc/84/59/71/330845971.db2.gz DNOCWUAMINJSMC-NSHDSACASA-N 1 0 284.360 -1.594 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000490741445 332111872 /nfs/dbraw/zinc/11/18/72/332111872.db2.gz VAWDWSWFAIEBDP-ZIAGYGMSSA-N 1 0 297.399 -1.173 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000490741442 332111883 /nfs/dbraw/zinc/11/18/83/332111883.db2.gz VAWDWSWFAIEBDP-KBPBESRZSA-N 1 0 297.399 -1.173 20 30 CAEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000491154638 332157835 /nfs/dbraw/zinc/15/78/35/332157835.db2.gz KWFXBEKSFJWNBH-ZDUSSCGKSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000491166505 332160295 /nfs/dbraw/zinc/16/02/95/332160295.db2.gz RXDQFFXYCWKGPD-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CCNC(=O)C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000491191296 332162704 /nfs/dbraw/zinc/16/27/04/332162704.db2.gz BZNJJNIXFUWLIW-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCN1C(=O)CCC1=O ZINC000491393332 332203189 /nfs/dbraw/zinc/20/31/89/332203189.db2.gz HFXBZOPEXXUELB-UHFFFAOYSA-N 1 0 251.286 -1.136 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCN1C(=O)CNC1=O ZINC000491430609 332210560 /nfs/dbraw/zinc/21/05/60/332210560.db2.gz YTRCGUUPGBICKM-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@@H](C(N)=O)O1 ZINC000491454186 332215111 /nfs/dbraw/zinc/21/51/11/332215111.db2.gz WQFCADRDOTVIAN-ZJUUUORDSA-N 1 0 253.302 -1.252 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000491474605 332218265 /nfs/dbraw/zinc/21/82/65/332218265.db2.gz OFDLKSPLXMGXCG-NXEZZACHSA-N 1 0 263.297 -1.056 20 30 CAEDRO C#CCN1C(=O)C[C@H]([NH2+]CCN2CCOCC2)C1=O ZINC000491486751 332221300 /nfs/dbraw/zinc/22/13/00/332221300.db2.gz YAMDVXKPTQGGAS-NSHDSACASA-N 1 0 265.313 -1.331 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+](C[C@@H](O)CO)C(C)C)CC1 ZINC000491503953 332224457 /nfs/dbraw/zinc/22/44/57/332224457.db2.gz FPIYYJUCVISWNM-CQSZACIVSA-N 1 0 297.399 -1.173 20 30 CAEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000491504553 332224612 /nfs/dbraw/zinc/22/46/12/332224612.db2.gz IKKASHQVTHDUAQ-JTQLQIEISA-N 1 0 273.358 -1.121 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCS(=O)(=O)N(C)C ZINC000491525843 332230380 /nfs/dbraw/zinc/23/03/80/332230380.db2.gz VUJFLYHOXOCSMN-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CNC(=O)CNC(C)=O ZINC000491623744 332248368 /nfs/dbraw/zinc/24/83/68/332248368.db2.gz HQOXAXFLTCVZPX-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO C#CCN1C(=O)C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C1=O ZINC000491628171 332251380 /nfs/dbraw/zinc/25/13/80/332251380.db2.gz LJQKPIORJLIEPC-NXEZZACHSA-N 1 0 263.297 -1.043 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000491638202 332258721 /nfs/dbraw/zinc/25/87/21/332258721.db2.gz NIQNIQVUMAKRLV-VIFPVBQESA-N 1 0 251.286 -1.137 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000491665929 332274313 /nfs/dbraw/zinc/27/43/13/332274313.db2.gz SIXWDEXXEXWQMU-NEPJUHHUSA-N 1 0 266.345 -1.066 20 30 CAEDRO C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000491691070 332287916 /nfs/dbraw/zinc/28/79/16/332287916.db2.gz NOALXWLTVJQYTP-ZDUSSCGKSA-N 1 0 292.383 -1.168 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000491732863 332314193 /nfs/dbraw/zinc/31/41/93/332314193.db2.gz NOBHSZKLXYMIAT-UHFFFAOYSA-N 1 0 280.372 -1.120 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCN(CCO)C1=O ZINC000491761769 332331982 /nfs/dbraw/zinc/33/19/82/332331982.db2.gz WZSYQOYQLVHZHI-NSHDSACASA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCN(CCO)C1=O ZINC000491761765 332332035 /nfs/dbraw/zinc/33/20/35/332332035.db2.gz WZSYQOYQLVHZHI-LLVKDONJSA-N 1 0 267.329 -1.301 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000491774262 332340278 /nfs/dbraw/zinc/34/02/78/332340278.db2.gz TWDMSSMBCGFYFA-WDEREUQCSA-N 1 0 265.313 -1.333 20 30 CAEDRO C#CCN1CCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000491789022 332351434 /nfs/dbraw/zinc/35/14/34/332351434.db2.gz UECNGQXLEYCWDU-KBPBESRZSA-N 1 0 294.399 -1.630 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CCNS(C)(=O)=O ZINC000491809962 332362397 /nfs/dbraw/zinc/36/23/97/332362397.db2.gz YEJLDQJZSUWRGB-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cnnn1 ZINC001273830748 782095370 /nfs/dbraw/zinc/09/53/70/782095370.db2.gz CNZIRZCCMQTBRT-ONEGZZNKSA-N 1 0 291.315 -2.316 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000227363248 333281703 /nfs/dbraw/zinc/28/17/03/333281703.db2.gz FUYRGTCZLFJDKT-NSHDSACASA-N 1 0 284.360 -1.594 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227363242 333281869 /nfs/dbraw/zinc/28/18/69/333281869.db2.gz FUYRGTCZLFJDKT-LLVKDONJSA-N 1 0 284.360 -1.594 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000232115659 333334158 /nfs/dbraw/zinc/33/41/58/333334158.db2.gz YITDVOWXZNODOW-LBPRGKRZSA-N 1 0 298.387 -1.203 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCCO1 ZINC001200404608 782096053 /nfs/dbraw/zinc/09/60/53/782096053.db2.gz NULNDNLRAJAVIW-GHMZBOCLSA-N 1 0 281.312 -1.065 20 30 CAEDRO CN1CCN(CC(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O ZINC000548365029 334152159 /nfs/dbraw/zinc/15/21/59/334152159.db2.gz NMJIFCMTOCDOFH-UHFFFAOYSA-N 1 0 293.371 -1.135 20 30 CAEDRO C[NH+](C)CCN1C[C@H](C(=O)NCC#CCO)CC1=O ZINC000549715429 334202608 /nfs/dbraw/zinc/20/26/08/334202608.db2.gz LYIJKPSIQAFMHZ-LLVKDONJSA-N 1 0 267.329 -1.492 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246416706 334256986 /nfs/dbraw/zinc/25/69/86/334256986.db2.gz KKGHJPNTIVRPLY-QWHCGFSZSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCOCCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200499494 782096235 /nfs/dbraw/zinc/09/62/35/782096235.db2.gz AAZQESLMRCIJRI-GFCCVEGCSA-N 1 0 297.355 -1.281 20 30 CAEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC(C)(CO)CO ZINC000567876824 334770887 /nfs/dbraw/zinc/77/08/87/334770887.db2.gz ZXTSKIIBJCKTLY-NSHDSACASA-N 1 0 259.350 -1.227 20 30 CAEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(=O)NCCO)cc1 ZINC000581489203 336088335 /nfs/dbraw/zinc/08/83/35/336088335.db2.gz PGOZKZZQUNPKFC-LBPRGKRZSA-N 1 0 293.323 -1.004 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001201148072 782100412 /nfs/dbraw/zinc/10/04/12/782100412.db2.gz WGAHSDOEKZQBJG-NEPJUHHUSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CNC(=O)OC ZINC001273879929 782100424 /nfs/dbraw/zinc/10/04/24/782100424.db2.gz TUPQPPJHSVAYFU-SNAWJCMRSA-N 1 0 296.327 -1.646 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 ZINC001201155572 782100556 /nfs/dbraw/zinc/10/05/56/782100556.db2.gz NUSRCLUOFGDYAH-RYUDHWBXSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 ZINC001201155563 782100577 /nfs/dbraw/zinc/10/05/77/782100577.db2.gz NUSRCLUOFGDYAH-NEPJUHHUSA-N 1 0 294.355 -1.150 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201267961 782101752 /nfs/dbraw/zinc/10/17/52/782101752.db2.gz ARIOELGMYHLBGL-NWDGAFQWSA-N 1 0 294.355 -1.102 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201267957 782101816 /nfs/dbraw/zinc/10/18/16/782101816.db2.gz ARIOELGMYHLBGL-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269544 782103193 /nfs/dbraw/zinc/10/31/93/782103193.db2.gz RFBOYGCUKDKEJU-RYUDHWBXSA-N 1 0 294.355 -1.102 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201303106 782103249 /nfs/dbraw/zinc/10/32/49/782103249.db2.gz YRHIPXBWGXSDAF-NSHDSACASA-N 1 0 283.328 -1.671 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201293913 782103495 /nfs/dbraw/zinc/10/34/95/782103495.db2.gz OKDXJODGFDBYOT-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201294090 782103659 /nfs/dbraw/zinc/10/36/59/782103659.db2.gz QSWUBAYACTWYSG-SNVBAGLBSA-N 1 0 296.327 -2.572 20 30 CAEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201294354 782103669 /nfs/dbraw/zinc/10/36/69/782103669.db2.gz XNYMXBQDKGLYDU-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201303105 782103767 /nfs/dbraw/zinc/10/37/67/782103767.db2.gz YRHIPXBWGXSDAF-LLVKDONJSA-N 1 0 283.328 -1.671 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269431 782103960 /nfs/dbraw/zinc/10/39/60/782103960.db2.gz OPBASOCIMFHWAQ-QWRGUYRKSA-N 1 0 280.328 -1.492 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201302992 782103991 /nfs/dbraw/zinc/10/39/91/782103991.db2.gz XLPVQQSMQYGJAL-SECBINFHSA-N 1 0 297.315 -2.681 20 30 CAEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001273894430 782104499 /nfs/dbraw/zinc/10/44/99/782104499.db2.gz PZOSKCYFGXCQBD-LBPRGKRZSA-N 1 0 263.301 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001201427779 782104581 /nfs/dbraw/zinc/10/45/81/782104581.db2.gz DFNPNZNNICRSDZ-UHFFFAOYSA-N 1 0 290.327 -1.252 20 30 CAEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001273894426 782105381 /nfs/dbraw/zinc/10/53/81/782105381.db2.gz PZOSKCYFGXCQBD-GFCCVEGCSA-N 1 0 263.301 -1.005 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710898 782106914 /nfs/dbraw/zinc/10/69/14/782106914.db2.gz DVXGKYPAVNRCFW-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 ZINC001201710900 782106974 /nfs/dbraw/zinc/10/69/74/782106974.db2.gz DVXGKYPAVNRCFW-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001273910958 782107703 /nfs/dbraw/zinc/10/77/03/782107703.db2.gz LTWZWNHCOUFLFB-GFCCVEGCSA-N 1 0 253.302 -1.562 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCCO1 ZINC001200404611 782096859 /nfs/dbraw/zinc/09/68/59/782096859.db2.gz NULNDNLRAJAVIW-WDEREUQCSA-N 1 0 281.312 -1.065 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520082 782097611 /nfs/dbraw/zinc/09/76/11/782097611.db2.gz ONZHGDQRHOOQAK-NSHDSACASA-N 1 0 278.316 -1.487 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001273860295 782098405 /nfs/dbraw/zinc/09/84/05/782098405.db2.gz DTHPKLWKXGYJKC-PCAWENJQSA-N 1 0 295.339 -1.587 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1COCCO1 ZINC001273860292 782098696 /nfs/dbraw/zinc/09/86/96/782098696.db2.gz DTHPKLWKXGYJKC-AAOUONPWSA-N 1 0 295.339 -1.587 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202250629 782110594 /nfs/dbraw/zinc/11/05/94/782110594.db2.gz DANJROBBERHXOP-UHFFFAOYSA-N 1 0 267.289 -2.308 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C(N)=O)CC1 ZINC001202273777 782110711 /nfs/dbraw/zinc/11/07/11/782110711.db2.gz STHGVCKRTACCOU-SECBINFHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC(N)=O ZINC001153467280 782116986 /nfs/dbraw/zinc/11/69/86/782116986.db2.gz KMRYUXGUXNWOHT-SNVBAGLBSA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)COC ZINC001114320850 782117432 /nfs/dbraw/zinc/11/74/32/782117432.db2.gz BGPSFRHSBCFRFH-DCQANWLSSA-N 1 0 279.340 -1.183 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)CC ZINC001114364435 782118541 /nfs/dbraw/zinc/11/85/41/782118541.db2.gz XYHHBDXXQLRFIY-PJXYFTJBSA-N 1 0 299.396 -1.005 20 30 CAEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)CNC(C)=O ZINC001114482971 782122990 /nfs/dbraw/zinc/12/29/90/782122990.db2.gz FHPXJMVDWFLWCS-YABSGUDNSA-N 1 0 294.355 -1.529 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)CNC(C)=O ZINC001114483728 782123047 /nfs/dbraw/zinc/12/30/47/782123047.db2.gz LSZCVLPLEYBKAU-YABSGUDNSA-N 1 0 292.339 -2.082 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153887056 782124228 /nfs/dbraw/zinc/12/42/28/782124228.db2.gz NIRREOJWYFICNO-MRVPVSSYSA-N 1 0 295.299 -2.615 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001154006188 782125529 /nfs/dbraw/zinc/12/55/29/782125529.db2.gz HOEXFWIRLOWBAY-NSHDSACASA-N 1 0 291.355 -1.021 20 30 CAEDRO C=CC[NH2+]C/C=C\CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001274035831 782130860 /nfs/dbraw/zinc/13/08/60/782130860.db2.gz LWKNOLBPRVCMGC-ARJAWSKDSA-N 1 0 278.316 -1.175 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CSCC1=O ZINC000834505768 582124214 /nfs/dbraw/zinc/12/42/14/582124214.db2.gz NRQSAVGUYKRISY-YUMQZZPRSA-N 1 0 254.315 -1.253 20 30 CAEDRO CC#CC[NH2+]C/C=C/CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001274038628 782131413 /nfs/dbraw/zinc/13/14/13/782131413.db2.gz WTWBQBSXAAHKHU-SNAWJCMRSA-N 1 0 290.327 -1.338 20 30 CAEDRO C#CCN1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274055197 782132964 /nfs/dbraw/zinc/13/29/64/782132964.db2.gz ZYUJHGABQUHIBB-ZDUSSCGKSA-N 1 0 263.297 -1.054 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(=O)[nH]n1 ZINC001154382234 782139539 /nfs/dbraw/zinc/13/95/39/782139539.db2.gz DAPIHBJDWKYZDY-UHFFFAOYSA-N 1 0 292.299 -1.469 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001274241582 782140645 /nfs/dbraw/zinc/14/06/45/782140645.db2.gz QDNDAARKHNMFHZ-QWHCGFSZSA-N 1 0 292.383 -1.122 20 30 CAEDRO CC#CC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001274241580 782141172 /nfs/dbraw/zinc/14/11/72/782141172.db2.gz QDNDAARKHNMFHZ-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO C[C@H]1CN(C(=O)c2cnon2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001274269027 782142542 /nfs/dbraw/zinc/14/25/42/782142542.db2.gz HXCPCJWLOOQKKW-WPRPVWTQSA-N 1 0 292.299 -1.241 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001274264325 782142569 /nfs/dbraw/zinc/14/25/69/782142569.db2.gz XXEYHCVCFZGPKL-ORAHPGNNSA-N 1 0 250.302 -1.095 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001274264328 782142015 /nfs/dbraw/zinc/14/20/15/782142015.db2.gz XXEYHCVCFZGPKL-YEZKRMTDSA-N 1 0 250.302 -1.095 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC=CCNC(=O)c1[nH]nnc1C ZINC001274253464 782142026 /nfs/dbraw/zinc/14/20/26/782142026.db2.gz NCMUQJXUHLEYNX-SNAWJCMRSA-N 1 0 290.327 -1.262 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001274288707 782143722 /nfs/dbraw/zinc/14/37/22/782143722.db2.gz UCHUZOORUHNCRD-IAKTZEFTSA-N 1 0 292.339 -1.219 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnn(C)n1 ZINC001274439960 782146440 /nfs/dbraw/zinc/14/64/40/782146440.db2.gz YNUDWTKEOIPBFT-SNAWJCMRSA-N 1 0 290.327 -1.560 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC(=O)N1 ZINC001274519670 782149433 /nfs/dbraw/zinc/14/94/33/782149433.db2.gz XLANJCHKQNZXRY-YOLVWIGZSA-N 1 0 293.327 -1.833 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001274560453 782149684 /nfs/dbraw/zinc/14/96/84/782149684.db2.gz VWQMFYQSWNMIMX-UMBAGQNISA-N 1 0 278.312 -1.130 20 30 CAEDRO C#CC[C@H](CO)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000717802992 782149916 /nfs/dbraw/zinc/14/99/16/782149916.db2.gz SAIHLMDTMAVOJH-SNVBAGLBSA-N 1 0 251.286 -1.442 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC(=O)N1 ZINC001274519669 782149966 /nfs/dbraw/zinc/14/99/66/782149966.db2.gz XLANJCHKQNZXRY-SYBPUXJVSA-N 1 0 293.327 -1.833 20 30 CAEDRO C=CCN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274565256 782151192 /nfs/dbraw/zinc/15/11/92/782151192.db2.gz JPBXCCRBKHPSNR-AAEUAGOBSA-N 1 0 270.329 -1.171 20 30 CAEDRO C#CCN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274565612 782151247 /nfs/dbraw/zinc/15/12/47/782151247.db2.gz KQXLNUKIKQVNOV-WCQYABFASA-N 1 0 268.313 -1.724 20 30 CAEDRO N#CCCCN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274564117 782151379 /nfs/dbraw/zinc/15/13/79/782151379.db2.gz FMNIJGMGPBRDIG-JSGCOSHPSA-N 1 0 297.355 -1.053 20 30 CAEDRO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564077 782151429 /nfs/dbraw/zinc/15/14/29/782151429.db2.gz CTQHFCBSAFBTMQ-JSGCOSHPSA-N 1 0 282.340 -1.476 20 30 CAEDRO C#CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274568603 782151474 /nfs/dbraw/zinc/15/14/74/782151474.db2.gz WKZARESVDHTKCQ-FZMZJTMJSA-N 1 0 280.324 -1.186 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001274550108 782150354 /nfs/dbraw/zinc/15/03/54/782150354.db2.gz NATYOCQZBVIYOH-UHFFFAOYSA-N 1 0 279.340 -1.172 20 30 CAEDRO C#CCN1C[C@@]2(CC[N@@H+](C[C@@H](O)C(=O)OC)C2)OCC1=O ZINC001274604755 782153340 /nfs/dbraw/zinc/15/33/40/782153340.db2.gz XPSLZGMUXGURIZ-RISCZKNCSA-N 1 0 296.323 -1.543 20 30 CAEDRO CCNS(=O)(=O)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000819043258 582177089 /nfs/dbraw/zinc/17/70/89/582177089.db2.gz QTSMCDQOVGBUFV-LLVKDONJSA-N 1 0 292.405 -1.278 20 30 CAEDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834498699 582210497 /nfs/dbraw/zinc/21/04/97/582210497.db2.gz BNRINHOZDKFAJB-YUMQZZPRSA-N 1 0 274.346 -1.458 20 30 CAEDRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834500632 582210832 /nfs/dbraw/zinc/21/08/32/582210832.db2.gz VKUJIQPCNXOCHJ-HTQZYQBOSA-N 1 0 260.319 -1.894 20 30 CAEDRO C#CC[NH2+]CC(=O)NCCC(=O)N1CCOCC1 ZINC000135385670 582275990 /nfs/dbraw/zinc/27/59/90/582275990.db2.gz AYSWHNUNNJQLLN-UHFFFAOYSA-N 1 0 253.302 -1.426 20 30 CAEDRO C[C@@H](CCNC(=O)c1cnnn1C)[NH2+]CC(=O)NCC#N ZINC001274715063 782157528 /nfs/dbraw/zinc/15/75/28/782157528.db2.gz YFBFMSNUSMNIRY-VIFPVBQESA-N 1 0 293.331 -1.447 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001274716907 782157566 /nfs/dbraw/zinc/15/75/66/782157566.db2.gz XHDOSHTYRJJDCS-VXGBXAGGSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001274747754 782157667 /nfs/dbraw/zinc/15/76/67/782157667.db2.gz SPJPBFVSSPEELP-SECBINFHSA-N 1 0 292.343 -1.501 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001274840071 782158907 /nfs/dbraw/zinc/15/89/07/782158907.db2.gz DMFDVDSXHIZYPO-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001274883757 782160685 /nfs/dbraw/zinc/16/06/85/782160685.db2.gz QAYOYSUEXUEINF-BDAKNGLRSA-N 1 0 296.331 -2.256 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(N)=O ZINC001274906758 782161459 /nfs/dbraw/zinc/16/14/59/782161459.db2.gz MULPJOZPCNMDPH-HTQZYQBOSA-N 1 0 254.290 -2.296 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(N)=O ZINC001274906759 782161643 /nfs/dbraw/zinc/16/16/43/782161643.db2.gz MULPJOZPCNMDPH-SFYZADRCSA-N 1 0 254.290 -2.296 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001274877439 782161715 /nfs/dbraw/zinc/16/17/15/782161715.db2.gz CAZQEJREYWGFBQ-NXEZZACHSA-N 1 0 280.328 -2.034 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001274943596 782161953 /nfs/dbraw/zinc/16/19/53/782161953.db2.gz DCVRPIQJZGXQPS-SECBINFHSA-N 1 0 278.312 -1.575 20 30 CAEDRO Cn1c(NC[C@@](C)(O)C[NH+](C)C)c(C#N)c(=O)n(C)c1=O ZINC000132960243 521885706 /nfs/dbraw/zinc/88/57/06/521885706.db2.gz RDCLVLJGWBNCCO-CYBMUJFWSA-N 1 0 295.343 -1.320 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CCCC1=O ZINC001275071066 782163584 /nfs/dbraw/zinc/16/35/84/782163584.db2.gz VXZQKVZDDCMIOC-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001275129085 782165284 /nfs/dbraw/zinc/16/52/84/782165284.db2.gz ORGCUJAXNAWANW-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CN(C)CCO1 ZINC001275105441 782165384 /nfs/dbraw/zinc/16/53/84/782165384.db2.gz UBHCHCMBHXAHFK-QWRGUYRKSA-N 1 0 297.359 -1.949 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C)C#N ZINC001275099454 782165414 /nfs/dbraw/zinc/16/54/14/782165414.db2.gz XTKUAJVGHYSVRD-BQBZGAKWSA-N 1 0 255.278 -1.565 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1ncnn1 ZINC001275156424 782165528 /nfs/dbraw/zinc/16/55/28/782165528.db2.gz CWAKTGKNZHWRGW-VHSXEESVSA-N 1 0 295.347 -1.542 20 30 CAEDRO CC[NH+](CC)CCS(=O)(=O)NCC(=O)NCC#N ZINC000352725279 528159093 /nfs/dbraw/zinc/15/90/93/528159093.db2.gz JIQLZMQDHQVQJW-UHFFFAOYSA-N 1 0 276.362 -1.113 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)CCO1 ZINC001275105444 782166231 /nfs/dbraw/zinc/16/62/31/782166231.db2.gz UBHCHCMBHXAHFK-WDEREUQCSA-N 1 0 297.359 -1.949 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC1CC(NC(=O)CNC(C)=O)C1 ZINC001275191336 782167695 /nfs/dbraw/zinc/16/76/95/782167695.db2.gz WHAXRLISDRNILS-UHFFFAOYSA-N 1 0 296.371 -1.091 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001275273331 782168742 /nfs/dbraw/zinc/16/87/42/782168742.db2.gz BJIJDEBNTXWQEW-VIFPVBQESA-N 1 0 266.305 -1.432 20 30 CAEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CN1CCOCC1 ZINC000491660837 545515260 /nfs/dbraw/zinc/51/52/60/545515260.db2.gz OQQCBSDPBJTYBW-LBPRGKRZSA-N 1 0 269.345 -1.591 20 30 CAEDRO C#CCNC(=O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000491393750 545513215 /nfs/dbraw/zinc/51/32/15/545513215.db2.gz JROPCMTZSFYZRO-CQSZACIVSA-N 1 0 296.415 -1.334 20 30 CAEDRO CN1CCO[C@@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC000408268856 545520646 /nfs/dbraw/zinc/52/06/46/545520646.db2.gz FDWVKNVJVUGGCY-LLVKDONJSA-N 1 0 252.318 -1.015 20 30 CAEDRO CN(CC#CCN(C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000671242327 545554726 /nfs/dbraw/zinc/55/47/26/545554726.db2.gz DANXKHBIIYWIKJ-RYUDHWBXSA-N 1 0 278.356 -1.370 20 30 CAEDRO C=CCNC(=O)CN1CCN(C(=O)COCC[NH3+])CC1 ZINC000093231381 545548156 /nfs/dbraw/zinc/54/81/56/545548156.db2.gz NCPRQXVGJYWHSJ-UHFFFAOYSA-N 1 0 284.360 -1.592 20 30 CAEDRO C=C[C@H](O)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000666266612 545549076 /nfs/dbraw/zinc/54/90/76/545549076.db2.gz WIKAEACVAPBCDC-JTQLQIEISA-N 1 0 255.318 -1.234 20 30 CAEDRO N#CCNC(=O)C[NH2+]CC1CC(NC(=O)c2cn[nH]n2)C1 ZINC001275257176 782168982 /nfs/dbraw/zinc/16/89/82/782168982.db2.gz NPSWNHGJLHVWQK-UHFFFAOYSA-N 1 0 291.315 -1.458 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001275291787 782170102 /nfs/dbraw/zinc/17/01/02/782170102.db2.gz NPNNXZXWAHPGJV-VIFPVBQESA-N 1 0 261.347 -1.217 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001275309835 782170394 /nfs/dbraw/zinc/17/03/94/782170394.db2.gz NSCJBNSFPFTVFV-AEJSXWLSSA-N 1 0 280.328 -2.049 20 30 CAEDRO C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]CC(N)=O)nn1 ZINC001275334682 782170432 /nfs/dbraw/zinc/17/04/32/782170432.db2.gz QQNCHYLVQPIBNV-QMMMGPOBSA-N 1 0 266.305 -1.343 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001275445476 782171473 /nfs/dbraw/zinc/17/14/73/782171473.db2.gz GRNPURODEYPWNP-IUCAKERBSA-N 1 0 261.347 -1.042 20 30 CAEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001275434456 782171813 /nfs/dbraw/zinc/17/18/13/782171813.db2.gz VIMIOSLICZOVFW-VXGBXAGGSA-N 1 0 280.372 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cn(CC)nn1 ZINC001275391296 782171895 /nfs/dbraw/zinc/17/18/95/782171895.db2.gz CNYGCOSRVKTOLZ-JTQLQIEISA-N 1 0 292.343 -1.245 20 30 CAEDRO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001275570202 782173983 /nfs/dbraw/zinc/17/39/83/782173983.db2.gz DHICCIXAIRCMPR-VHSXEESVSA-N 1 0 292.343 -1.117 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001275553795 782174451 /nfs/dbraw/zinc/17/44/51/782174451.db2.gz OSVOKRHVIQPERN-UWVGGRQHSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001275553797 782174512 /nfs/dbraw/zinc/17/45/12/782174512.db2.gz OSVOKRHVIQPERN-VHSXEESVSA-N 1 0 275.374 -1.006 20 30 CAEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001275570710 782175310 /nfs/dbraw/zinc/17/53/10/782175310.db2.gz KPRRDCYPXCFADY-IUCAKERBSA-N 1 0 261.347 -1.348 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001275574027 782175394 /nfs/dbraw/zinc/17/53/94/782175394.db2.gz MKKWXYACSZDJET-BDAKNGLRSA-N 1 0 266.301 -1.346 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001275613121 782175725 /nfs/dbraw/zinc/17/57/25/782175725.db2.gz CMRVQHPKINCFAD-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C#CCNC(=O)CN(C)C[C@H](C)NC(=O)c1nnc[nH]1 ZINC001275682067 782177086 /nfs/dbraw/zinc/17/70/86/782177086.db2.gz UJUSDZWAVJUHAW-VIFPVBQESA-N 1 0 278.316 -1.396 20 30 CAEDRO C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)CC(=O)NCC#N ZINC001275919777 782182702 /nfs/dbraw/zinc/18/27/02/782182702.db2.gz GGWYXIPOZKPBBA-SECBINFHSA-N 1 0 295.343 -1.672 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001948 782185212 /nfs/dbraw/zinc/18/52/12/782185212.db2.gz MQFXFVQZHFKIIL-NXEZZACHSA-N 1 0 297.315 -1.271 20 30 CAEDRO C#CC1(O)CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000890522832 582108870 /nfs/dbraw/zinc/10/88/70/582108870.db2.gz LYOAGWJGXBATRE-NSHDSACASA-N 1 0 279.340 -1.397 20 30 CAEDRO C#CCNC(=O)CN1CCCN(CC(=O)NCC#C)CC1 ZINC000023699392 582109354 /nfs/dbraw/zinc/10/93/54/582109354.db2.gz NXGPGGZWGJXUFG-UHFFFAOYSA-N 1 0 290.367 -1.507 20 30 CAEDRO CC(C)NS(=O)(=O)NCCNC1=[NH+]C[C@@H](C)N1 ZINC000849022473 582111308 /nfs/dbraw/zinc/11/13/08/582111308.db2.gz CQZXOIMIKSPQBU-MRVPVSSYSA-N 1 0 263.367 -1.244 20 30 CAEDRO C#CC1(O)CN(C(=O)NCC[N@@H+](C)CCOC)C1 ZINC000892688254 582111917 /nfs/dbraw/zinc/11/19/17/582111917.db2.gz UMDWTGVCXIKXQW-UHFFFAOYSA-N 1 0 255.318 -1.046 20 30 CAEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCC(=O)NCC#N)[C@@H]2C1 ZINC000894817514 582114307 /nfs/dbraw/zinc/11/43/07/582114307.db2.gz RQDUWENLJDMXPO-VHSXEESVSA-N 1 0 265.317 -1.028 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000895057688 582114720 /nfs/dbraw/zinc/11/47/20/582114720.db2.gz WPYIYOSXPKAOQI-UHFFFAOYSA-N 1 0 293.327 -1.455 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000730281425 582123764 /nfs/dbraw/zinc/12/37/64/582123764.db2.gz KFMZMTWNACTYJV-QWRGUYRKSA-N 1 0 265.313 -1.203 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CCNCC1=O ZINC000834485381 582124202 /nfs/dbraw/zinc/12/42/02/582124202.db2.gz VVDSWXNWAUMLNW-DTWKUNHWSA-N 1 0 251.290 -2.354 20 30 CAEDRO C#CCN1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000733163836 582125925 /nfs/dbraw/zinc/12/59/25/582125925.db2.gz VEPOIDMLDIZJOP-UHFFFAOYSA-N 1 0 290.323 -1.296 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000746514210 582141789 /nfs/dbraw/zinc/14/17/89/582141789.db2.gz WEAHUHINSLIFNH-UHFFFAOYSA-N 1 0 294.355 -1.595 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NCCN1C(=O)CNC1=O ZINC000764510629 582149263 /nfs/dbraw/zinc/14/92/63/582149263.db2.gz YLOHSUCKBPBMAS-UHFFFAOYSA-N 1 0 254.290 -1.228 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000764472840 582149276 /nfs/dbraw/zinc/14/92/76/582149276.db2.gz PACHWWJFJPYHGC-UHFFFAOYSA-N 1 0 276.362 -1.548 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](C[C@@H](C)CO)CC1 ZINC000766894769 582150988 /nfs/dbraw/zinc/15/09/88/582150988.db2.gz GUALGWZKBOLNPZ-GFCCVEGCSA-N 1 0 253.346 -1.018 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](C[C@H](C)CO)CC1 ZINC000766894770 582150995 /nfs/dbraw/zinc/15/09/95/582150995.db2.gz GUALGWZKBOLNPZ-LBPRGKRZSA-N 1 0 253.346 -1.018 20 30 CAEDRO CN(C)c1c(C=NNC(N)=[NH2+])c(=O)n(C)c(=O)n1C ZINC000807962425 582169708 /nfs/dbraw/zinc/16/97/08/582169708.db2.gz XEZWALAFQDGRGB-UHFFFAOYSA-N 1 0 267.293 -2.033 20 30 CAEDRO N#Cc1ncn(CC(=O)N[C@H](CO)C[NH+]2CCCC2)n1 ZINC000808223769 582170157 /nfs/dbraw/zinc/17/01/57/582170157.db2.gz YTUHPDNIVBVGRI-JTQLQIEISA-N 1 0 278.316 -1.277 20 30 CAEDRO N#Cc1ncn(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)n1 ZINC000808223770 582170169 /nfs/dbraw/zinc/17/01/69/582170169.db2.gz YTUHPDNIVBVGRI-SNVBAGLBSA-N 1 0 278.316 -1.277 20 30 CAEDRO CC(C)(O)C[NH+]1CCC(N=NC2=NC(=O)C(=O)N2)CC1 ZINC000814225067 582172705 /nfs/dbraw/zinc/17/27/05/582172705.db2.gz CWHZOEYPZNIUQL-UHFFFAOYSA-N 1 0 281.316 -1.189 20 30 CAEDRO C#CCNC(=O)CC[NH+]1CCN(CC(=O)OC)CC1 ZINC000815096195 582172935 /nfs/dbraw/zinc/17/29/35/582172935.db2.gz YYUYGRHQCBOHBC-UHFFFAOYSA-N 1 0 267.329 -1.084 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC000818593409 582176384 /nfs/dbraw/zinc/17/63/84/582176384.db2.gz YIEPEHVTXPQFEX-UHFFFAOYSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCS(=O)(=O)NCC ZINC000819042596 582177071 /nfs/dbraw/zinc/17/70/71/582177071.db2.gz JZAZBXNBGUGPRV-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO CCNS(=O)(=O)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000819043261 582177113 /nfs/dbraw/zinc/17/71/13/582177113.db2.gz QTSMCDQOVGBUFV-NSHDSACASA-N 1 0 292.405 -1.278 20 30 CAEDRO CON(C)C(=O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000819373270 582177393 /nfs/dbraw/zinc/17/73/93/582177393.db2.gz ILPCZGLROXBCHT-JTQLQIEISA-N 1 0 258.322 -1.198 20 30 CAEDRO CON(C)C(=O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000819373273 582177443 /nfs/dbraw/zinc/17/74/43/582177443.db2.gz ILPCZGLROXBCHT-SNVBAGLBSA-N 1 0 258.322 -1.198 20 30 CAEDRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC000820126526 582178953 /nfs/dbraw/zinc/17/89/53/582178953.db2.gz DERQPYAIVFNFGZ-SNVBAGLBSA-N 1 0 270.333 -1.414 20 30 CAEDRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCN(O)C2=O)C1 ZINC000820128110 582179039 /nfs/dbraw/zinc/17/90/39/582179039.db2.gz UJBRNPYQFDVEPE-SKDRFNHKSA-N 1 0 271.317 -1.061 20 30 CAEDRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCN(O)C2=O)C1 ZINC000820128108 582179063 /nfs/dbraw/zinc/17/90/63/582179063.db2.gz UJBRNPYQFDVEPE-CABZTGNLSA-N 1 0 271.317 -1.061 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000826137932 582190167 /nfs/dbraw/zinc/19/01/67/582190167.db2.gz XPZOSGAIZSFXMD-AWEZNQCLSA-N 1 0 297.355 -1.152 20 30 CAEDRO CC(=O)N1CCO[C@@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000827972122 582193889 /nfs/dbraw/zinc/19/38/89/582193889.db2.gz RWHXXNPBSUMOGJ-GFCCVEGCSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000830866041 582199222 /nfs/dbraw/zinc/19/92/22/582199222.db2.gz SAAYPTAPHHCTLZ-MNOVXSKESA-N 1 0 268.313 -1.018 20 30 CAEDRO C#CCNS(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000831561512 582202459 /nfs/dbraw/zinc/20/24/59/582202459.db2.gz YGUKQDRPNBLJAT-UHFFFAOYSA-N 1 0 288.373 -1.840 20 30 CAEDRO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834483884 582210328 /nfs/dbraw/zinc/21/03/28/582210328.db2.gz AVCRANRKZQYMRJ-DTWKUNHWSA-N 1 0 288.373 -1.068 20 30 CAEDRO CCN1CCN(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C(=O)C1=O ZINC000834499934 582210517 /nfs/dbraw/zinc/21/05/17/582210517.db2.gz OULXTHLBIUDHRU-UWVGGRQHSA-N 1 0 293.327 -2.095 20 30 CAEDRO COCC(=O)N(C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834485660 582210557 /nfs/dbraw/zinc/21/05/57/582210557.db2.gz ZWXZTWKCPJFONB-RKDXNWHRSA-N 1 0 254.290 -1.681 20 30 CAEDRO CCN1CCN(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C(=O)C1=O ZINC000834499936 582210560 /nfs/dbraw/zinc/21/05/60/582210560.db2.gz OULXTHLBIUDHRU-ZJUUUORDSA-N 1 0 293.327 -2.095 20 30 CAEDRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499969 582210600 /nfs/dbraw/zinc/21/06/00/582210600.db2.gz PIYJTEIAPPFYFN-IVZWLZJFSA-N 1 0 286.357 -1.362 20 30 CAEDRO CCN1CCN(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C(=O)C1=O ZINC000834499935 582210606 /nfs/dbraw/zinc/21/06/06/582210606.db2.gz OULXTHLBIUDHRU-VHSXEESVSA-N 1 0 293.327 -2.095 20 30 CAEDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834498696 582210608 /nfs/dbraw/zinc/21/06/08/582210608.db2.gz BNRINHOZDKFAJB-HTQZYQBOSA-N 1 0 274.346 -1.458 20 30 CAEDRO CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499462 582210611 /nfs/dbraw/zinc/21/06/11/582210611.db2.gz IOKQPMRCBSWOOB-ZJUUUORDSA-N 1 0 288.373 -1.114 20 30 CAEDRO CN(CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)S(C)(=O)=O ZINC000834494399 582210615 /nfs/dbraw/zinc/21/06/15/582210615.db2.gz MRVXPNJRNJFTBZ-JGVFFNPUSA-N 1 0 260.319 -1.894 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCC(=O)N1CCOCC1 ZINC000834494592 582210619 /nfs/dbraw/zinc/21/06/19/582210619.db2.gz OKGIRLSFMLHIFS-WDEREUQCSA-N 1 0 280.328 -1.147 20 30 CAEDRO CN(CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)S(C)(=O)=O ZINC000834494402 582210623 /nfs/dbraw/zinc/21/06/23/582210623.db2.gz MRVXPNJRNJFTBZ-YUMQZZPRSA-N 1 0 260.319 -1.894 20 30 CAEDRO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499461 582210639 /nfs/dbraw/zinc/21/06/39/582210639.db2.gz IOKQPMRCBSWOOB-VHSXEESVSA-N 1 0 288.373 -1.114 20 30 CAEDRO CN(CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)S(C)(=O)=O ZINC000834494397 582210652 /nfs/dbraw/zinc/21/06/52/582210652.db2.gz MRVXPNJRNJFTBZ-HTQZYQBOSA-N 1 0 260.319 -1.894 20 30 CAEDRO CN(CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)S(C)(=O)=O ZINC000834494401 582210654 /nfs/dbraw/zinc/21/06/54/582210654.db2.gz MRVXPNJRNJFTBZ-SFYZADRCSA-N 1 0 260.319 -1.894 20 30 CAEDRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499972 582210724 /nfs/dbraw/zinc/21/07/24/582210724.db2.gz PIYJTEIAPPFYFN-OPRDCNLKSA-N 1 0 286.357 -1.362 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000834500238 582210729 /nfs/dbraw/zinc/21/07/29/582210729.db2.gz QTZWISPEHCBWGT-VHSXEESVSA-N 1 0 286.295 -1.276 20 30 CAEDRO COCCN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000834500319 582210757 /nfs/dbraw/zinc/21/07/57/582210757.db2.gz RYTDAIXAZWSCRJ-VWYCJHECSA-N 1 0 280.328 -1.291 20 30 CAEDRO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834500634 582210768 /nfs/dbraw/zinc/21/07/68/582210768.db2.gz VKUJIQPCNXOCHJ-SFYZADRCSA-N 1 0 260.319 -1.894 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC000834500239 582210815 /nfs/dbraw/zinc/21/08/15/582210815.db2.gz QTZWISPEHCBWGT-ZJUUUORDSA-N 1 0 286.295 -1.276 20 30 CAEDRO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1=O ZINC000834516938 582210828 /nfs/dbraw/zinc/21/08/28/582210828.db2.gz NWYKDUKMQQXPGO-DTWKUNHWSA-N 1 0 277.284 -2.225 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000834500445 582210837 /nfs/dbraw/zinc/21/08/37/582210837.db2.gz TUMXESYHWUQNDH-RKDXNWHRSA-N 1 0 272.330 -1.750 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000834500442 582210862 /nfs/dbraw/zinc/21/08/62/582210862.db2.gz TUMXESYHWUQNDH-DTWKUNHWSA-N 1 0 272.330 -1.750 20 30 CAEDRO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834500633 582210872 /nfs/dbraw/zinc/21/08/72/582210872.db2.gz VKUJIQPCNXOCHJ-JGVFFNPUSA-N 1 0 260.319 -1.894 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000834500440 582210901 /nfs/dbraw/zinc/21/09/01/582210901.db2.gz TUMXESYHWUQNDH-BDAKNGLRSA-N 1 0 272.330 -1.750 20 30 CAEDRO COCCN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000834500317 582210904 /nfs/dbraw/zinc/21/09/04/582210904.db2.gz RYTDAIXAZWSCRJ-MXWKQRLJSA-N 1 0 280.328 -1.291 20 30 CAEDRO C[NH+]1CCN(CCCS(=O)(=O)O[C@H]2CNOC2)CC1 ZINC000867257681 582212178 /nfs/dbraw/zinc/21/21/78/582212178.db2.gz ZEYNMSKEADMVPV-NSHDSACASA-N 1 0 293.389 -1.126 20 30 CAEDRO C#C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000841880937 582212344 /nfs/dbraw/zinc/21/23/44/582212344.db2.gz KOMILGDPGAIZBR-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO CCCCS(=O)(=O)NCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843460642 582214380 /nfs/dbraw/zinc/21/43/80/582214380.db2.gz PNQCIFJNESIUGN-ZJUUUORDSA-N 1 0 288.373 -1.066 20 30 CAEDRO COC(=O)c1cn(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nn1 ZINC000843459512 582214447 /nfs/dbraw/zinc/21/44/47/582214447.db2.gz FOKLHMCKWNALKY-YUMQZZPRSA-N 1 0 278.272 -1.708 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1nc2n(n1)CCCN2 ZINC000843462050 582214490 /nfs/dbraw/zinc/21/44/90/582214490.db2.gz ZFRJARYAZLCLOB-HTQZYQBOSA-N 1 0 261.289 -1.807 20 30 CAEDRO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843460966 582214510 /nfs/dbraw/zinc/21/45/10/582214510.db2.gz ROZBVZCQRHWUSQ-RKDXNWHRSA-N 1 0 274.346 -1.504 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC000843458960 582214520 /nfs/dbraw/zinc/21/45/20/582214520.db2.gz AKQLDUHQJNEFCB-DTWKUNHWSA-N 1 0 257.257 -1.034 20 30 CAEDRO CCCCS(=O)(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843460640 582214539 /nfs/dbraw/zinc/21/45/39/582214539.db2.gz PNQCIFJNESIUGN-VHSXEESVSA-N 1 0 288.373 -1.066 20 30 CAEDRO C[NH+](C)CCN1CCN(CC(=O)NCCC#N)CC1=O ZINC000844379814 582216642 /nfs/dbraw/zinc/21/66/42/582216642.db2.gz PVNPWPIDANMRJZ-UHFFFAOYSA-N 1 0 281.360 -1.278 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2COC)CC1 ZINC000844401951 582216685 /nfs/dbraw/zinc/21/66/85/582216685.db2.gz MQDKHNZJHHCUFT-ZIAGYGMSSA-N 1 0 295.383 -1.155 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)NC(C)(CO)CO ZINC000845221597 582217748 /nfs/dbraw/zinc/21/77/48/582217748.db2.gz ZUFYAULNQDDZJE-UHFFFAOYSA-N 1 0 257.334 -1.016 20 30 CAEDRO C#C[C@H]1COCCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000867387189 582218590 /nfs/dbraw/zinc/21/85/90/582218590.db2.gz NGIOKBHUEOLPCN-NWDGAFQWSA-N 1 0 288.369 -1.019 20 30 CAEDRO C#C[C@H]1COCCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000867387191 582218629 /nfs/dbraw/zinc/21/86/29/582218629.db2.gz NGIOKBHUEOLPCN-RYUDHWBXSA-N 1 0 288.369 -1.019 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000105988461 582219555 /nfs/dbraw/zinc/21/95/55/582219555.db2.gz AVXICXXTLFMWBE-UHFFFAOYSA-N 1 0 259.331 -1.687 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000846229872 582221145 /nfs/dbraw/zinc/22/11/45/582221145.db2.gz ZBGPBWKFPOGBPD-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847050771 582223696 /nfs/dbraw/zinc/22/36/96/582223696.db2.gz WWQAXPQEHZBURB-NWDGAFQWSA-N 1 0 251.330 -1.123 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NCC(=O)N(C)C ZINC000848982073 582227138 /nfs/dbraw/zinc/22/71/38/582227138.db2.gz SBZUORIBDWMNFJ-UHFFFAOYSA-N 1 0 271.365 -1.428 20 30 CAEDRO C=CCNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1 ZINC000848995750 582227170 /nfs/dbraw/zinc/22/71/70/582227170.db2.gz MHEJVCDLOAGVNN-UHFFFAOYSA-N 1 0 289.405 -1.136 20 30 CAEDRO C[C@@H]1C[NH+]=C(NCCN2CCN(S(C)(=O)=O)CC2)N1 ZINC000848995808 582227208 /nfs/dbraw/zinc/22/72/08/582227208.db2.gz VEHLWOPYNVJFDS-SNVBAGLBSA-N 1 0 289.405 -1.499 20 30 CAEDRO C[C@@H]1C[NH+]=C(NCCS(=O)(=O)N2CCOCC2)N1 ZINC000849000797 582227264 /nfs/dbraw/zinc/22/72/64/582227264.db2.gz QGBFQUFPFATJTP-SECBINFHSA-N 1 0 276.362 -1.414 20 30 CAEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@](C)(CO)OC ZINC000849049445 582227420 /nfs/dbraw/zinc/22/74/20/582227420.db2.gz QOTJCMRMBHFTIN-CYBMUJFWSA-N 1 0 288.392 -1.119 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000851684245 582228939 /nfs/dbraw/zinc/22/89/39/582228939.db2.gz CUOHPPCCOGKIDH-HBNTYKKESA-N 1 0 265.313 -1.239 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000851684242 582228966 /nfs/dbraw/zinc/22/89/66/582228966.db2.gz CUOHPPCCOGKIDH-AXFHLTTASA-N 1 0 265.313 -1.239 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC000852875119 582231776 /nfs/dbraw/zinc/23/17/76/582231776.db2.gz FDKHEAGDZHGDAY-DTWKUNHWSA-N 1 0 257.257 -1.034 20 30 CAEDRO CNC(=O)CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852883598 582231956 /nfs/dbraw/zinc/23/19/56/582231956.db2.gz KWJCZOSDMYLDCM-UHFFFAOYSA-N 1 0 292.383 -1.120 20 30 CAEDRO CNC(=O)[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852887027 582232022 /nfs/dbraw/zinc/23/20/22/582232022.db2.gz DCDKZZFAHGWCPI-GFCCVEGCSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854544222 582234679 /nfs/dbraw/zinc/23/46/79/582234679.db2.gz MKHNUNFKXWWAKE-VXGBXAGGSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854546046 582234696 /nfs/dbraw/zinc/23/46/96/582234696.db2.gz VVDXOLSUXMTYRS-NWDGAFQWSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854544221 582234705 /nfs/dbraw/zinc/23/47/05/582234705.db2.gz MKHNUNFKXWWAKE-RYUDHWBXSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000854770696 582236255 /nfs/dbraw/zinc/23/62/55/582236255.db2.gz MCRWUPFSWKXOHA-WDEREUQCSA-N 1 0 267.329 -1.493 20 30 CAEDRO C#CCN1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000859357663 582240959 /nfs/dbraw/zinc/24/09/59/582240959.db2.gz VLMGDMGIXWPZRT-UHFFFAOYSA-N 1 0 278.312 -1.342 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000859958918 582242206 /nfs/dbraw/zinc/24/22/06/582242206.db2.gz PLKQNAZDGKEQEX-BETUJISGSA-N 1 0 292.383 -1.041 20 30 CAEDRO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861616239 582244160 /nfs/dbraw/zinc/24/41/60/582244160.db2.gz BWXHFDZIAQFRIL-SNVBAGLBSA-N 1 0 291.373 -1.125 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCCO1 ZINC000861752740 582244858 /nfs/dbraw/zinc/24/48/58/582244858.db2.gz NCMMVJCOOUYMNV-SRVKXCTJSA-N 1 0 295.339 -1.612 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])[C@@H]1CCCO1 ZINC000861752960 582244867 /nfs/dbraw/zinc/24/48/67/582244867.db2.gz QVPPSYSAYRQISX-RYUDHWBXSA-N 1 0 297.355 -1.235 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000861752243 582244868 /nfs/dbraw/zinc/24/48/68/582244868.db2.gz CUOHPPCCOGKIDH-VWYCJHECSA-N 1 0 265.313 -1.239 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCO1 ZINC000861752741 582244887 /nfs/dbraw/zinc/24/48/87/582244887.db2.gz NCMMVJCOOUYMNV-WOPDTQHZSA-N 1 0 295.339 -1.612 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000861752240 582244900 /nfs/dbraw/zinc/24/49/00/582244900.db2.gz CUOHPPCCOGKIDH-GMTAPVOTSA-N 1 0 265.313 -1.239 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)NCCOCC[NH2+]C)[C@@H]1CCCO1 ZINC000861753470 582244907 /nfs/dbraw/zinc/24/49/07/582244907.db2.gz ZLLLOLXLOQAIKB-NEPJUHHUSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864350088 582252248 /nfs/dbraw/zinc/25/22/48/582252248.db2.gz CSLFUNDFBIAOFN-BBBLOLIVSA-N 1 0 262.265 -1.148 20 30 CAEDRO CNC(NC[C@@]12COCCN1C(=O)COC2)=[NH+]C ZINC000864358016 582252514 /nfs/dbraw/zinc/25/25/14/582252514.db2.gz DWLKXGQJXYKJBF-NSHDSACASA-N 1 0 256.306 -1.591 20 30 CAEDRO C=C[C@@H](O)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868389207 582256197 /nfs/dbraw/zinc/25/61/97/582256197.db2.gz YDQNTWLQVQJLPX-NWDGAFQWSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CCNC(=O)CC[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000872233693 582258986 /nfs/dbraw/zinc/25/89/86/582258986.db2.gz VSNZBBKYPIWJDI-CQSZACIVSA-N 1 0 295.339 -1.657 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N(CC(=O)NC)CC(=O)NC ZINC000874898971 582260877 /nfs/dbraw/zinc/26/08/77/582260877.db2.gz GMZRNFJLYKSNKO-UHFFFAOYSA-N 1 0 270.333 -1.575 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)N1CC(O)(C(=O)OC)C1 ZINC000875622556 582261744 /nfs/dbraw/zinc/26/17/44/582261744.db2.gz KDBUDZUBAFSTQI-UHFFFAOYSA-N 1 0 283.328 -1.129 20 30 CAEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)N1CCNCC1=O ZINC000876802534 582263223 /nfs/dbraw/zinc/26/32/23/582263223.db2.gz QAEPROOWKGBRFB-UTLUCORTSA-N 1 0 265.317 -1.966 20 30 CAEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)N1CCNCC1=O ZINC000876802532 582263255 /nfs/dbraw/zinc/26/32/55/582263255.db2.gz QAEPROOWKGBRFB-KXUCPTDWSA-N 1 0 265.317 -1.966 20 30 CAEDRO N#Cc1ccc(N2CCN(C(=O)C3(O)C[NH2+]C3)CC2)cn1 ZINC000877296965 582265032 /nfs/dbraw/zinc/26/50/32/582265032.db2.gz MJPKZVBQPFZEPC-UHFFFAOYSA-N 1 0 287.323 -1.064 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000878982898 582267003 /nfs/dbraw/zinc/26/70/03/582267003.db2.gz GUEDQLTZUROORQ-HIFRSBDPSA-N 1 0 295.383 -1.419 20 30 CAEDRO C#CCNC(=O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879157362 582267148 /nfs/dbraw/zinc/26/71/48/582267148.db2.gz HJFCMLYIYZFVJY-BETUJISGSA-N 1 0 263.297 -1.280 20 30 CAEDRO C#CCNC(=O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879157364 582267199 /nfs/dbraw/zinc/26/71/99/582267199.db2.gz HJFCMLYIYZFVJY-STQMWFEESA-N 1 0 263.297 -1.280 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531836 582267680 /nfs/dbraw/zinc/26/76/80/582267680.db2.gz LGHWUIIWSZRPHD-LPEHRKFASA-N 1 0 263.297 -1.329 20 30 CAEDRO N#CCNC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880069257 582268803 /nfs/dbraw/zinc/26/88/03/582268803.db2.gz BHEDTZVUUVHHGN-WDEREUQCSA-N 1 0 252.318 -1.233 20 30 CAEDRO C#CCNC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880069144 582268855 /nfs/dbraw/zinc/26/88/55/582268855.db2.gz XHYSCJKCBCDKAB-NWDGAFQWSA-N 1 0 251.330 -1.123 20 30 CAEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000880417573 582269522 /nfs/dbraw/zinc/26/95/22/582269522.db2.gz PRUPCQWUMYLSCQ-TZMCWYRMSA-N 1 0 263.341 -1.170 20 30 CAEDRO C=CCOC(=O)[C@@H](N)CC(=O)NCCN1CC[NH2+]CC1 ZINC000884015620 582272803 /nfs/dbraw/zinc/27/28/03/582272803.db2.gz ZMWSMGRAUWRTTA-NSHDSACASA-N 1 0 284.360 -1.546 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000884688475 582276061 /nfs/dbraw/zinc/27/60/61/582276061.db2.gz FBIQHLRFHSCRHN-GFCCVEGCSA-N 1 0 293.371 -1.088 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000884690438 582276257 /nfs/dbraw/zinc/27/62/57/582276257.db2.gz ZKBPIZAUGHSROM-UHFFFAOYSA-N 1 0 293.371 -1.088 20 30 CAEDRO N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000884688476 582276294 /nfs/dbraw/zinc/27/62/94/582276294.db2.gz FBIQHLRFHSCRHN-LBPRGKRZSA-N 1 0 293.371 -1.088 20 30 CAEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000884797812 582276742 /nfs/dbraw/zinc/27/67/42/582276742.db2.gz XXVRVGBJKLJUHP-NSHDSACASA-N 1 0 281.360 -1.232 20 30 CAEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000884823808 582276774 /nfs/dbraw/zinc/27/67/74/582276774.db2.gz FWEQYCAWEVCUGY-NWDGAFQWSA-N 1 0 293.371 -1.089 20 30 CAEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCC[N@H+](C)CCO ZINC000885804329 582277875 /nfs/dbraw/zinc/27/78/75/582277875.db2.gz JTQVCYWLTNCFIZ-JTQLQIEISA-N 1 0 278.378 -1.021 20 30 CAEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC[N@H+](C)CCO ZINC000885804331 582277954 /nfs/dbraw/zinc/27/79/54/582277954.db2.gz JTQVCYWLTNCFIZ-SNVBAGLBSA-N 1 0 278.378 -1.021 20 30 CAEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N@H+](C)CCO ZINC000885804936 582278035 /nfs/dbraw/zinc/27/80/35/582278035.db2.gz ZGKQHZCYKFVHAO-JTQLQIEISA-N 1 0 278.378 -1.164 20 30 CAEDRO C#CCN1CCC[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000886209439 582278765 /nfs/dbraw/zinc/27/87/65/582278765.db2.gz MXJCMMULWSZLRK-NSHDSACASA-N 1 0 276.344 -1.049 20 30 CAEDRO C#CCN(C(=O)CN1CCNC(=O)C1)C1CC[NH+](C)CC1 ZINC000886573423 582279025 /nfs/dbraw/zinc/27/90/25/582279025.db2.gz IJSILTRLXUOTCF-UHFFFAOYSA-N 1 0 292.383 -1.026 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946918149 617288550 /nfs/dbraw/zinc/28/85/50/617288550.db2.gz DNIIRJSELPEMIF-QWRGUYRKSA-N 1 0 294.355 -1.022 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970254451 612960276 /nfs/dbraw/zinc/96/02/76/612960276.db2.gz BPCAAKBQPWAKMF-SNVBAGLBSA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000970670841 612960622 /nfs/dbraw/zinc/96/06/22/612960622.db2.gz NPZLLEPHVZMGGJ-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000970277272 612960820 /nfs/dbraw/zinc/96/08/20/612960820.db2.gz BKSHDYGLCDKZGR-LLVKDONJSA-N 1 0 290.323 -1.250 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000970664749 612961022 /nfs/dbraw/zinc/96/10/22/612961022.db2.gz ITKCMOJMHBNIMI-SNVBAGLBSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000969142705 612961900 /nfs/dbraw/zinc/96/19/00/612961900.db2.gz BQNVHQYKUQKLNC-SNVBAGLBSA-N 1 0 263.301 -1.595 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000968854536 612961988 /nfs/dbraw/zinc/96/19/88/612961988.db2.gz RXIFPPDKBDLDGK-LLVKDONJSA-N 1 0 290.323 -1.629 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119233 612962475 /nfs/dbraw/zinc/96/24/75/612962475.db2.gz RBSHRCOXDLNCSS-BDAKNGLRSA-N 1 0 264.285 -1.592 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000970741465 612962693 /nfs/dbraw/zinc/96/26/93/612962693.db2.gz OYXCNWRZBQHBAP-ZJUUUORDSA-N 1 0 271.342 -1.498 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000969586020 612963582 /nfs/dbraw/zinc/96/35/82/612963582.db2.gz FOYXORVCTLKZQN-NXEZZACHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000970475660 612964366 /nfs/dbraw/zinc/96/43/66/612964366.db2.gz UAJOXOSBXRWYJV-SECBINFHSA-N 1 0 286.295 -1.145 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000939697071 612968911 /nfs/dbraw/zinc/96/89/11/612968911.db2.gz MVNSVDRUCYLCFA-GHMZBOCLSA-N 1 0 292.339 -1.050 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC000939330806 612968941 /nfs/dbraw/zinc/96/89/41/612968941.db2.gz VKSIHSYZBWRXRA-NXEZZACHSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000939530993 612974939 /nfs/dbraw/zinc/97/49/39/612974939.db2.gz SZNCERVVZSDKRG-MNOVXSKESA-N 1 0 292.339 -1.050 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000939486645 612974967 /nfs/dbraw/zinc/97/49/67/612974967.db2.gz XNXNNHPIVILXRZ-MNOVXSKESA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CCC[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981742563 613002387 /nfs/dbraw/zinc/00/23/87/613002387.db2.gz HADDZXASKHSJEF-UHFFFAOYSA-N 1 0 292.383 -1.024 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035918 613033993 /nfs/dbraw/zinc/03/39/93/613033993.db2.gz KWXQBTKRETUVQU-CMPLNLGQSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026050 613034139 /nfs/dbraw/zinc/03/41/39/613034139.db2.gz XWGBXIKGTXBQAE-WDEREUQCSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958482345 613035162 /nfs/dbraw/zinc/03/51/62/613035162.db2.gz ZLZWJMXCNVGWFK-ZYHUDNBSSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958035555 613036359 /nfs/dbraw/zinc/03/63/59/613036359.db2.gz HRUOUNAFRWFPLC-JQWIXIFHSA-N 1 0 277.328 -1.139 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960302852 613042995 /nfs/dbraw/zinc/04/29/95/613042995.db2.gz FPSGVPJIYBHBCE-JYAVWHMHSA-N 1 0 291.351 -1.085 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962611003 613043949 /nfs/dbraw/zinc/04/39/49/613043949.db2.gz WONRTLJZYBGATC-WHOHXGKFSA-N 1 0 297.380 -1.252 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962610998 613044363 /nfs/dbraw/zinc/04/43/63/613044363.db2.gz WONRTLJZYBGATC-KXNHARMFSA-N 1 0 297.380 -1.252 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961496840 613046547 /nfs/dbraw/zinc/04/65/47/613046547.db2.gz HTFFIJRLROQAGZ-MYJAWHEDSA-N 1 0 260.301 -1.107 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000972566863 613080779 /nfs/dbraw/zinc/08/07/79/613080779.db2.gz YRZQXELRCPPOTH-SNVBAGLBSA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972074460 613080871 /nfs/dbraw/zinc/08/08/71/613080871.db2.gz ATAUAOZBEQTPOZ-GFCCVEGCSA-N 1 0 278.356 -1.416 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000980427316 613082835 /nfs/dbraw/zinc/08/28/35/613082835.db2.gz KYSLTUNBOUDZAO-MNOVXSKESA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971821503 613089726 /nfs/dbraw/zinc/08/97/26/613089726.db2.gz LQQUNDGMUMBPFQ-ZDUSSCGKSA-N 1 0 292.383 -1.074 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000972566862 613089794 /nfs/dbraw/zinc/08/97/94/613089794.db2.gz YRZQXELRCPPOTH-JTQLQIEISA-N 1 0 278.312 -1.296 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000968954458 613197015 /nfs/dbraw/zinc/19/70/15/613197015.db2.gz LBBPUMJZHNSEQH-NEPJUHHUSA-N 1 0 278.356 -1.240 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967717404 613214474 /nfs/dbraw/zinc/21/44/74/613214474.db2.gz ATBDAZVXMDBSIF-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC000968622637 613218339 /nfs/dbraw/zinc/21/83/39/613218339.db2.gz AJXKXLRQIDZFKS-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC000944790013 613225035 /nfs/dbraw/zinc/22/50/35/613225035.db2.gz NXRLARCJAAWHJH-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000968432110 613246516 /nfs/dbraw/zinc/24/65/16/613246516.db2.gz VYFDGCFFRXAAFY-QWRGUYRKSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC000968622639 613246693 /nfs/dbraw/zinc/24/66/93/613246693.db2.gz AJXKXLRQIDZFKS-QWRGUYRKSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958484539 613285441 /nfs/dbraw/zinc/28/54/41/613285441.db2.gz ACMJEJCWYKBTLE-WDEREUQCSA-N 1 0 293.323 -1.919 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC000958303230 613285454 /nfs/dbraw/zinc/28/54/54/613285454.db2.gz CCNJAFYQLILRSP-VHSXEESVSA-N 1 0 263.301 -1.231 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958318643 613285603 /nfs/dbraw/zinc/28/56/03/613285603.db2.gz FNYSWHXDANBUHA-KIJLLGNVSA-N 1 0 264.325 -1.079 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149081 613285810 /nfs/dbraw/zinc/28/58/10/613285810.db2.gz MVACRXFADXCJGS-CMPLNLGQSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958014736 613285840 /nfs/dbraw/zinc/28/58/40/613285840.db2.gz IRACONRMPIRUCL-WCQYABFASA-N 1 0 279.340 -1.493 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958736083 613287140 /nfs/dbraw/zinc/28/71/40/613287140.db2.gz IVIIZKCNLBCYRL-CMPLNLGQSA-N 1 0 292.339 -1.621 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958271368 613287182 /nfs/dbraw/zinc/28/71/82/613287182.db2.gz CDFSCPNPUVMTGS-CMPLNLGQSA-N 1 0 290.323 -1.564 20 30 CAEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167032 613287267 /nfs/dbraw/zinc/28/72/67/613287267.db2.gz FTKPIAWXQUEREJ-GXSJLCMTSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958320678 613287385 /nfs/dbraw/zinc/28/73/85/613287385.db2.gz QPRVJCHBAMBHSY-GXSJLCMTSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2CC)C1 ZINC000958020689 613287442 /nfs/dbraw/zinc/28/74/42/613287442.db2.gz SHKZCKNPJWXTAC-CMPLNLGQSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316309 613287677 /nfs/dbraw/zinc/28/76/77/613287677.db2.gz GSPDYMPDBXTMHQ-DTWKUNHWSA-N 1 0 264.289 -2.134 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC000958020953 613288283 /nfs/dbraw/zinc/28/82/83/613288283.db2.gz XCCAIPUBQFNACN-NXEZZACHSA-N 1 0 279.296 -1.366 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC000957845852 613289645 /nfs/dbraw/zinc/28/96/45/613289645.db2.gz CKKRBIBKRGSDAC-MWLCHTKSSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC)n2)[C@H](O)C1 ZINC000958040260 613289917 /nfs/dbraw/zinc/28/99/17/613289917.db2.gz BLHRFFUOWALIBP-ZYHUDNBSSA-N 1 0 277.328 -1.046 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2nccnc2N)[C@H](O)C1 ZINC000957941034 613290692 /nfs/dbraw/zinc/29/06/92/613290692.db2.gz ZGIQLUAPXWVTCW-NXEZZACHSA-N 1 0 275.312 -1.286 20 30 CAEDRO C#CC[N@H+]1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC000958020153 613290889 /nfs/dbraw/zinc/29/08/89/613290889.db2.gz KQIYQHNNWZNATG-NXEZZACHSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958350874 613294118 /nfs/dbraw/zinc/29/41/18/613294118.db2.gz VJIHZAICNMFARZ-ONGXEEELSA-N 1 0 276.296 -1.574 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958673892 613294293 /nfs/dbraw/zinc/29/42/93/613294293.db2.gz YGABIYPATYOHLV-JQWIXIFHSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958145859 613294745 /nfs/dbraw/zinc/29/47/45/613294745.db2.gz UAIPPVSUHOJCGA-JQWIXIFHSA-N 1 0 290.323 -1.069 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957843651 613294798 /nfs/dbraw/zinc/29/47/98/613294798.db2.gz UWSXRUPJUKMHFZ-STQMWFEESA-N 1 0 275.308 -1.024 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958320681 613295453 /nfs/dbraw/zinc/29/54/53/613295453.db2.gz QPRVJCHBAMBHSY-ONGXEEELSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000958000201 613295766 /nfs/dbraw/zinc/29/57/66/613295766.db2.gz VFSIVZNOWRGWLF-ONGXEEELSA-N 1 0 277.328 -1.342 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958020154 613296167 /nfs/dbraw/zinc/29/61/67/613296167.db2.gz KQIYQHNNWZNATG-UWVGGRQHSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958350872 613302490 /nfs/dbraw/zinc/30/24/90/613302490.db2.gz VJIHZAICNMFARZ-KOLCDFICSA-N 1 0 276.296 -1.574 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409515 613303108 /nfs/dbraw/zinc/30/31/08/613303108.db2.gz UMOJHRQUDKZOBI-SKDRFNHKSA-N 1 0 290.323 -1.231 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957845851 613303155 /nfs/dbraw/zinc/30/31/55/613303155.db2.gz CKKRBIBKRGSDAC-KOLCDFICSA-N 1 0 276.296 -1.162 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958475140 613303904 /nfs/dbraw/zinc/30/39/04/613303904.db2.gz AAERLLXVZZJIOI-KOLCDFICSA-N 1 0 263.301 -1.529 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958320679 613304044 /nfs/dbraw/zinc/30/40/44/613304044.db2.gz QPRVJCHBAMBHSY-KOLCDFICSA-N 1 0 278.312 -1.219 20 30 CAEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC000958512155 613304113 /nfs/dbraw/zinc/30/41/13/613304113.db2.gz MJNRIYUIKAMTNV-SCZZXKLOSA-N 1 0 250.258 -1.275 20 30 CAEDRO C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953797 613304769 /nfs/dbraw/zinc/30/47/69/613304769.db2.gz RMEMJYDGCHKXGH-MNOVXSKESA-N 1 0 277.328 -1.221 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC000978805669 613307894 /nfs/dbraw/zinc/30/78/94/613307894.db2.gz HCRCOIHXSSEKGE-MMWGEVLESA-N 1 0 290.323 -1.488 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978675113 613308358 /nfs/dbraw/zinc/30/83/58/613308358.db2.gz QDTLKCPIZYXJEO-MMWGEVLESA-N 1 0 262.313 -1.405 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000979082099 613308798 /nfs/dbraw/zinc/30/87/98/613308798.db2.gz ZKOKVIJAGJLOPW-YFKTTZPYSA-N 1 0 297.380 -1.395 20 30 CAEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978675107 613309417 /nfs/dbraw/zinc/30/94/17/613309417.db2.gz QDTLKCPIZYXJEO-CHWFTXMASA-N 1 0 262.313 -1.405 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962080533 613313763 /nfs/dbraw/zinc/31/37/63/613313763.db2.gz YRODNVHDVCLHDQ-GDGBQDQQSA-N 1 0 276.296 -1.782 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960306423 613313855 /nfs/dbraw/zinc/31/38/55/613313855.db2.gz LAJCDUJIHKOAQL-YABSGUDNSA-N 1 0 277.324 -1.475 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958585926 613314005 /nfs/dbraw/zinc/31/40/05/613314005.db2.gz AXOJZESSIVDDOS-IMRBUKKESA-N 1 0 263.341 -1.002 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC000958470426 613315392 /nfs/dbraw/zinc/31/53/92/613315392.db2.gz UTMPFPOHSZHRBO-QNWHQSFQSA-N 1 0 263.341 -1.003 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O ZINC000962605021 613315409 /nfs/dbraw/zinc/31/54/09/613315409.db2.gz NNUJGUPRWNRXSW-RFQIPJPRSA-N 1 0 291.351 -1.087 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O ZINC000962605023 613316682 /nfs/dbraw/zinc/31/66/82/613316682.db2.gz NNUJGUPRWNRXSW-RQJABVFESA-N 1 0 291.351 -1.087 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000961468455 613317023 /nfs/dbraw/zinc/31/70/23/613317023.db2.gz POHJWILAVIGAAW-YTWAJWBKSA-N 1 0 262.313 -1.310 20 30 CAEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)nn1 ZINC000970203471 613426904 /nfs/dbraw/zinc/42/69/04/613426904.db2.gz BFXPDKUYTZALML-SECBINFHSA-N 1 0 278.316 -1.247 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)nn1 ZINC000958471316 613429552 /nfs/dbraw/zinc/42/95/52/613429552.db2.gz INEAEWOZMGPUDF-CMPLNLGQSA-N 1 0 295.343 -1.521 20 30 CAEDRO C=CCC[NH+]1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000941543794 613481735 /nfs/dbraw/zinc/48/17/35/613481735.db2.gz SVSLTFJSEUWRMC-UHFFFAOYSA-N 1 0 266.345 -1.124 20 30 CAEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328299 613553555 /nfs/dbraw/zinc/55/35/55/613553555.db2.gz DGXRRJXCJRRXSB-UWVGGRQHSA-N 1 0 280.332 -1.191 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958036698 613613754 /nfs/dbraw/zinc/61/37/54/613613754.db2.gz SPNWBTJJICRSFF-CMPLNLGQSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958480427 613614030 /nfs/dbraw/zinc/61/40/30/613614030.db2.gz ALHDMCXSOIBIBD-CMPLNLGQSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC000958015289 613614367 /nfs/dbraw/zinc/61/43/67/613614367.db2.gz KFMAPTBCGPAYEK-TZMCWYRMSA-N 1 0 293.367 -1.103 20 30 CAEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958356708 613614816 /nfs/dbraw/zinc/61/48/16/613614816.db2.gz RJAMTBKVMIMGJA-ZYHUDNBSSA-N 1 0 290.323 -1.184 20 30 CAEDRO CC#CC[N@H+]1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC000958026323 613615231 /nfs/dbraw/zinc/61/52/31/613615231.db2.gz ZXMIDSIURKPSKE-GHMZBOCLSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958480428 613619626 /nfs/dbraw/zinc/61/96/26/613619626.db2.gz ALHDMCXSOIBIBD-JQWIXIFHSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356707 613625200 /nfs/dbraw/zinc/62/52/00/613625200.db2.gz RJAMTBKVMIMGJA-PWSUYJOCSA-N 1 0 290.323 -1.184 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015288 613625307 /nfs/dbraw/zinc/62/53/07/613625307.db2.gz KFMAPTBCGPAYEK-OCCSQVGLSA-N 1 0 293.367 -1.103 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958036700 613625908 /nfs/dbraw/zinc/62/59/08/613625908.db2.gz SPNWBTJJICRSFF-PWSUYJOCSA-N 1 0 277.328 -1.139 20 30 CAEDRO CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026324 613625911 /nfs/dbraw/zinc/62/59/11/613625911.db2.gz ZXMIDSIURKPSKE-MNOVXSKESA-N 1 0 277.328 -1.139 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CC2CC(NC(=O)C(N)=O)C2)C1=O ZINC000962249852 613763631 /nfs/dbraw/zinc/76/36/31/613763631.db2.gz PMMLFDCKPHMLFN-VQXHTEKXSA-N 1 0 294.355 -1.257 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149805 613812982 /nfs/dbraw/zinc/81/29/82/613812982.db2.gz WQVCVWBKBRDXCM-CMPLNLGQSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958736479 613814729 /nfs/dbraw/zinc/81/47/29/613814729.db2.gz OZBWLLUJKLHEMH-CMPLNLGQSA-N 1 0 294.355 -1.068 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958274695 613815344 /nfs/dbraw/zinc/81/53/44/613815344.db2.gz XAIHIOZATPHHTR-CMPLNLGQSA-N 1 0 292.339 -1.011 20 30 CAEDRO C=CC[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC000958485955 613816871 /nfs/dbraw/zinc/81/68/71/613816871.db2.gz TUMLFXRNDCEBAY-GHMZBOCLSA-N 1 0 295.339 -1.366 20 30 CAEDRO C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485956 613830580 /nfs/dbraw/zinc/83/05/80/613830580.db2.gz TUMLFXRNDCEBAY-MNOVXSKESA-N 1 0 295.339 -1.366 20 30 CAEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962076415 613837811 /nfs/dbraw/zinc/83/78/11/613837811.db2.gz OOPLXXHCHWTXPT-GDGBQDQQSA-N 1 0 278.312 -1.229 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000970162116 613863643 /nfs/dbraw/zinc/86/36/43/613863643.db2.gz XVVPSNXAZWBHMW-SECBINFHSA-N 1 0 294.311 -1.217 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970286633 613863658 /nfs/dbraw/zinc/86/36/58/613863658.db2.gz ZJGLIFUAWJBDNM-SECBINFHSA-N 1 0 266.301 -1.085 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000939808760 613870328 /nfs/dbraw/zinc/87/03/28/613870328.db2.gz GNIMNSFKWIVIQG-NXEZZACHSA-N 1 0 292.343 -1.001 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001276084732 782187409 /nfs/dbraw/zinc/18/74/09/782187409.db2.gz OYXPMBVDXQQOMR-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)c1cn[nH]n1 ZINC001276099677 782188216 /nfs/dbraw/zinc/18/82/16/782188216.db2.gz OIEFTBNIAMBIKL-SNVBAGLBSA-N 1 0 292.343 -1.006 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1cn[nH]n1 ZINC001276099676 782188416 /nfs/dbraw/zinc/18/84/16/782188416.db2.gz OIEFTBNIAMBIKL-JTQLQIEISA-N 1 0 292.343 -1.006 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCNC1=O ZINC001276168708 782189026 /nfs/dbraw/zinc/18/90/26/782189026.db2.gz QDSMLXKTZIACGN-JTQLQIEISA-N 1 0 295.343 -1.800 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCNC1=O ZINC001276168709 782189110 /nfs/dbraw/zinc/18/91/10/782189110.db2.gz QDSMLXKTZIACGN-SNVBAGLBSA-N 1 0 295.343 -1.800 20 30 CAEDRO CCS(=O)(=O)NCCNC(=[NH2+])N[C@H](C)COC ZINC000303901535 656982506 /nfs/dbraw/zinc/98/25/06/656982506.db2.gz STMZJXLZPFUZMP-MRVPVSSYSA-N 1 0 266.367 -1.135 20 30 CAEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CNC(=O)N1 ZINC001276202705 782189562 /nfs/dbraw/zinc/18/95/62/782189562.db2.gz KLUWZAGFILQDJU-SECBINFHSA-N 1 0 296.331 -2.254 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463916 655996738 /nfs/dbraw/zinc/99/67/38/655996738.db2.gz NJRNURKPTDDNNV-XYPYZODXSA-N 1 0 264.329 -1.712 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001020470678 655997347 /nfs/dbraw/zinc/99/73/47/655997347.db2.gz OVELZSIRGOTBMF-OPRDCNLKSA-N 1 0 250.302 -1.120 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001020534810 656000028 /nfs/dbraw/zinc/00/00/28/656000028.db2.gz LIJNAKDKBAUCLI-GUBZILKMSA-N 1 0 280.328 -1.505 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001020647506 656006262 /nfs/dbraw/zinc/00/62/62/656006262.db2.gz VJEWFPBQEGAUQE-CIUDSAMLSA-N 1 0 264.285 -1.546 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001020668447 656006824 /nfs/dbraw/zinc/00/68/24/656006824.db2.gz GSVHYWWQZZGKEE-MGCOHNPYSA-N 1 0 290.323 -1.432 20 30 CAEDRO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001020700292 656006869 /nfs/dbraw/zinc/00/68/69/656006869.db2.gz MCDVVZKAIOKFFT-KYZUINATSA-N 1 0 278.316 -1.200 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001020764698 656007527 /nfs/dbraw/zinc/00/75/27/656007527.db2.gz PRRHFYONNNGCQX-KYZUINATSA-N 1 0 266.301 -1.039 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001020721143 656007529 /nfs/dbraw/zinc/00/75/29/656007529.db2.gz MMDBVSYKDVAFQC-DCAQKATOSA-N 1 0 285.369 -1.110 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001020721144 656007645 /nfs/dbraw/zinc/00/76/45/656007645.db2.gz MMDBVSYKDVAFQC-GMTAPVOTSA-N 1 0 285.369 -1.110 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001021024158 656010251 /nfs/dbraw/zinc/01/02/51/656010251.db2.gz ZKWPDJGIQKKGAL-KYZUINATSA-N 1 0 266.301 -1.039 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021042506 656010257 /nfs/dbraw/zinc/01/02/57/656010257.db2.gz KMJRIGXTQZSSKW-KYZUINATSA-N 1 0 276.296 -1.031 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021025394 656010334 /nfs/dbraw/zinc/01/03/34/656010334.db2.gz MBPPVLYJGGWITP-MGCOHNPYSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001021065527 656012232 /nfs/dbraw/zinc/01/22/32/656012232.db2.gz JUBAPSPLIHNYTC-GUBZILKMSA-N 1 0 271.342 -1.452 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001022108916 656025833 /nfs/dbraw/zinc/02/58/33/656025833.db2.gz WCDATOCFVWSAJY-DTORHVGOSA-N 1 0 278.316 -1.200 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001022206642 656026780 /nfs/dbraw/zinc/02/67/80/656026780.db2.gz DHIWGZQVFUSYTL-PHIMTYICSA-N 1 0 265.313 -1.285 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022220540 656026891 /nfs/dbraw/zinc/02/68/91/656026891.db2.gz IWMZYSAXVYZQFL-TUAOUCFPSA-N 1 0 278.356 -1.194 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001022325961 656027629 /nfs/dbraw/zinc/02/76/29/656027629.db2.gz CNZBHYYUNOVEJY-TXEJJXNPSA-N 1 0 278.356 -1.370 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001022535549 656029754 /nfs/dbraw/zinc/02/97/54/656029754.db2.gz KSUPNILWOVCBNQ-PHIMTYICSA-N 1 0 266.345 -1.159 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001022535767 656030447 /nfs/dbraw/zinc/03/04/47/656030447.db2.gz NJRNURKPTDDNNV-PHIMTYICSA-N 1 0 264.329 -1.712 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001022635991 656032557 /nfs/dbraw/zinc/03/25/57/656032557.db2.gz LIJNAKDKBAUCLI-AEJSXWLSSA-N 1 0 280.328 -1.505 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001022702701 656033336 /nfs/dbraw/zinc/03/33/36/656033336.db2.gz CVXKXCBMGJKUEA-ZRUFSTJUSA-N 1 0 265.313 -1.111 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001022689074 656033593 /nfs/dbraw/zinc/03/35/93/656033593.db2.gz JQTSASARWCMURI-OCAPTIKFSA-N 1 0 297.340 -1.459 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001022839604 656035763 /nfs/dbraw/zinc/03/57/63/656035763.db2.gz MMDBVSYKDVAFQC-OUAUKWLOSA-N 1 0 285.369 -1.110 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001022847987 656036105 /nfs/dbraw/zinc/03/61/05/656036105.db2.gz CIDNOSZJHKAULV-AOOOYVTPSA-N 1 0 263.297 -1.091 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001023065078 656041852 /nfs/dbraw/zinc/04/18/52/656041852.db2.gz ZKWPDJGIQKKGAL-DTORHVGOSA-N 1 0 266.301 -1.039 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023126485 656043320 /nfs/dbraw/zinc/04/33/20/656043320.db2.gz YEFMMAZOZNHUFZ-DTORHVGOSA-N 1 0 278.316 -1.200 20 30 CAEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC#CCO ZINC000923779473 656054416 /nfs/dbraw/zinc/05/44/16/656054416.db2.gz ITXSFKKCHYABSG-GFCCVEGCSA-N 1 0 268.361 -1.083 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC#CCO ZINC000923781172 656055578 /nfs/dbraw/zinc/05/55/78/656055578.db2.gz PUAKYJMTYYKEDN-NSHDSACASA-N 1 0 254.334 -1.473 20 30 CAEDRO [NH2+]=C(NCCC(=O)N1CCOCC1)N1CCOCC1 ZINC000170910048 656065646 /nfs/dbraw/zinc/06/56/46/656065646.db2.gz FYVJVGLYBFZVKT-UHFFFAOYSA-N 1 0 270.333 -1.118 20 30 CAEDRO CNC(=O)CNC(NCCN1CCOCC1)=[NH+]C ZINC000170907127 656065727 /nfs/dbraw/zinc/06/57/27/656065727.db2.gz GHUZSAAAZPMFMG-UHFFFAOYSA-N 1 0 257.338 -1.770 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)Cn1cnc(N)n1 ZINC000328202893 656066209 /nfs/dbraw/zinc/06/62/09/656066209.db2.gz UCGYILAMYPRBJA-UHFFFAOYSA-N 1 0 250.306 -1.068 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001019498596 656066282 /nfs/dbraw/zinc/06/62/82/656066282.db2.gz IUNMFAGNCTZBFX-WDEREUQCSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001019768153 656068539 /nfs/dbraw/zinc/06/85/39/656068539.db2.gz CCFLIORWCFHVJW-VIFPVBQESA-N 1 0 276.296 -1.077 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001020194301 656069644 /nfs/dbraw/zinc/06/96/44/656069644.db2.gz JZUODFFUSNNGSV-MGCOHNPYSA-N 1 0 256.327 -1.099 20 30 CAEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519246 656088556 /nfs/dbraw/zinc/08/85/56/656088556.db2.gz IHLIHBMENFRDHK-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001028172712 656108898 /nfs/dbraw/zinc/10/88/98/656108898.db2.gz KIQWETOOCAHYMZ-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326403 656113302 /nfs/dbraw/zinc/11/33/02/656113302.db2.gz SUHLIRNPCFDAMY-GHMZBOCLSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326404 656113389 /nfs/dbraw/zinc/11/33/89/656113389.db2.gz SUHLIRNPCFDAMY-MNOVXSKESA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001028836801 656122288 /nfs/dbraw/zinc/12/22/88/656122288.db2.gz CDRKZVQRTFHWOE-UWVGGRQHSA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028990043 656123774 /nfs/dbraw/zinc/12/37/74/656123774.db2.gz CTVNYIBBZZGXON-MNOVXSKESA-N 1 0 285.369 -1.251 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028990045 656124060 /nfs/dbraw/zinc/12/40/60/656124060.db2.gz CTVNYIBBZZGXON-WDEREUQCSA-N 1 0 285.369 -1.251 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028990042 656124070 /nfs/dbraw/zinc/12/40/70/656124070.db2.gz CTVNYIBBZZGXON-GHMZBOCLSA-N 1 0 285.369 -1.251 20 30 CAEDRO C[NH+]=C(NCC(=O)N(C)C)N1CCO[C@H](COC)C1 ZINC000262020373 656124468 /nfs/dbraw/zinc/12/44/68/656124468.db2.gz WDPQKKZTMLQADP-JTQLQIEISA-N 1 0 272.349 -1.003 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000986288381 656136173 /nfs/dbraw/zinc/13/61/73/656136173.db2.gz BOHUGHGLXRLHKV-UWVGGRQHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000986449907 656136850 /nfs/dbraw/zinc/13/68/50/656136850.db2.gz ZLELPLJNDYBEAI-WDEREUQCSA-N 1 0 277.328 -1.206 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC000986668230 656137543 /nfs/dbraw/zinc/13/75/43/656137543.db2.gz GHOGFGYKTCRULZ-RYUDHWBXSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC000986668231 656137622 /nfs/dbraw/zinc/13/76/22/656137622.db2.gz GHOGFGYKTCRULZ-VXGBXAGGSA-N 1 0 278.356 -1.370 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C ZINC000987484711 656140734 /nfs/dbraw/zinc/14/07/34/656140734.db2.gz YSIUTRACEPJSAS-NXEZZACHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC000987579023 656140735 /nfs/dbraw/zinc/14/07/35/656140735.db2.gz ZOJXJNSMXUJIJA-UWVGGRQHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC000987484712 656140800 /nfs/dbraw/zinc/14/08/00/656140800.db2.gz YSIUTRACEPJSAS-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000987579027 656141147 /nfs/dbraw/zinc/14/11/47/656141147.db2.gz ZOJXJNSMXUJIJA-ZJUUUORDSA-N 1 0 290.327 -1.411 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000989066721 656147309 /nfs/dbraw/zinc/14/73/09/656147309.db2.gz CCESRYPYONQOLD-STQMWFEESA-N 1 0 292.383 -1.027 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000989832845 656152990 /nfs/dbraw/zinc/15/29/90/656152990.db2.gz YWOIZSILKBBYPU-UWVGGRQHSA-N 1 0 290.327 -1.411 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000990615653 656163147 /nfs/dbraw/zinc/16/31/47/656163147.db2.gz DTUAXPJHUFEGRX-ONGXEEELSA-N 1 0 280.328 -1.196 20 30 CAEDRO C#CC[NH2+]CC(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000901095420 656177074 /nfs/dbraw/zinc/17/70/74/656177074.db2.gz XGUGTPOUMNXVAE-UHFFFAOYSA-N 1 0 260.319 -2.525 20 30 CAEDRO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1COC ZINC000903877876 656187530 /nfs/dbraw/zinc/18/75/30/656187530.db2.gz YLROVEFITFMTSO-SNVBAGLBSA-N 1 0 270.333 -1.082 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000905011918 656188217 /nfs/dbraw/zinc/18/82/17/656188217.db2.gz AFLRGBJRIWHRDW-JTQLQIEISA-N 1 0 253.302 -1.475 20 30 CAEDRO CNC(NCCS(=O)(=O)N=S(C)(C)=O)=[NH+]C ZINC000905032634 656189376 /nfs/dbraw/zinc/18/93/76/656189376.db2.gz UUBWKGLNKNCKFI-UHFFFAOYSA-N 1 0 270.380 -1.161 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000907649602 656201672 /nfs/dbraw/zinc/20/16/72/656201672.db2.gz XNVIUGKSJWNERH-LBPRGKRZSA-N 1 0 255.318 -1.057 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)NCC(=O)OC ZINC000907881858 656203691 /nfs/dbraw/zinc/20/36/91/656203691.db2.gz NIAJQIZETPOKKH-UHFFFAOYSA-N 1 0 271.317 -1.100 20 30 CAEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1OCCN(C)C1=O ZINC000908436503 656214399 /nfs/dbraw/zinc/21/43/99/656214399.db2.gz RINPVBXCRORDOA-LLVKDONJSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000909006929 656217720 /nfs/dbraw/zinc/21/77/20/656217720.db2.gz UFYJXIFJIIYUHG-AXFHLTTASA-N 1 0 275.308 -1.185 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000909894584 656220211 /nfs/dbraw/zinc/22/02/11/656220211.db2.gz ADIHJRNSOHZKPG-UHFFFAOYSA-N 1 0 282.344 -1.350 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC000910522937 656224261 /nfs/dbraw/zinc/22/42/61/656224261.db2.gz QFMISPSVRTUIJB-UHFFFAOYSA-N 1 0 285.369 -1.169 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CC(S(N)(=O)=O)C1 ZINC000910519848 656224343 /nfs/dbraw/zinc/22/43/43/656224343.db2.gz NAKZRCIEBZXXAT-JTQLQIEISA-N 1 0 271.342 -1.417 20 30 CAEDRO C#C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1CCCO1 ZINC000911145280 656235060 /nfs/dbraw/zinc/23/50/60/656235060.db2.gz DGANJWLYSJLYHY-VHSXEESVSA-N 1 0 265.313 -1.109 20 30 CAEDRO C#C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1CCCO1 ZINC000911145281 656235361 /nfs/dbraw/zinc/23/53/61/656235361.db2.gz DGANJWLYSJLYHY-ZJUUUORDSA-N 1 0 265.313 -1.109 20 30 CAEDRO C=CCOCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911332835 656241653 /nfs/dbraw/zinc/24/16/53/656241653.db2.gz PMVHXKUHOUGZMG-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000913071052 656270805 /nfs/dbraw/zinc/27/08/05/656270805.db2.gz JMDLEZYRSHKSKE-VIFPVBQESA-N 1 0 251.286 -1.857 20 30 CAEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000913178302 656274014 /nfs/dbraw/zinc/27/40/14/656274014.db2.gz FBMIGIFIIGCTDI-CYBMUJFWSA-N 1 0 271.361 -1.039 20 30 CAEDRO CN1CCO[C@@H](C(=O)NCC#CC[NH+](C)C)C1=O ZINC000913524296 656283468 /nfs/dbraw/zinc/28/34/68/656283468.db2.gz HGZCBHNGFUTWFK-JTQLQIEISA-N 1 0 253.302 -1.475 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CCCS(N)(=O)=O ZINC000913523202 656283692 /nfs/dbraw/zinc/28/36/92/656283692.db2.gz QBEZWCWOQPCQCZ-UHFFFAOYSA-N 1 0 261.347 -1.264 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000913515530 656283694 /nfs/dbraw/zinc/28/36/94/656283694.db2.gz AOPDXRLUWBBVKQ-UHFFFAOYSA-N 1 0 264.285 -1.370 20 30 CAEDRO CN(C)C(=O)Cn1cc(C(=O)NCC#CC[NH+](C)C)nn1 ZINC000913517881 656283750 /nfs/dbraw/zinc/28/37/50/656283750.db2.gz UCAHJZHPUGWSCC-UHFFFAOYSA-N 1 0 292.343 -1.339 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC000913522863 656283760 /nfs/dbraw/zinc/28/37/60/656283760.db2.gz CCCKTNATPBAMQW-LBPRGKRZSA-N 1 0 280.328 -1.469 20 30 CAEDRO CN(CC(=O)NCC#CC[NH+](C)C)S(C)(=O)=O ZINC000913516473 656283814 /nfs/dbraw/zinc/28/38/14/656283814.db2.gz RJHIVLZFYWCRSN-UHFFFAOYSA-N 1 0 261.347 -1.441 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC1CN([C@H](C)C(N)=O)C1 ZINC001030463403 656313379 /nfs/dbraw/zinc/31/33/79/656313379.db2.gz LWGUMQOLXQCNJE-PWSUYJOCSA-N 1 0 278.356 -1.242 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC1CN([C@H]2CCNC2=O)C1 ZINC001030464256 656313654 /nfs/dbraw/zinc/31/36/54/656313654.db2.gz MTIYRYYRDPNLIC-STQMWFEESA-N 1 0 290.367 -1.227 20 30 CAEDRO C#CC[N@H+](C)CCCNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000915905526 656363526 /nfs/dbraw/zinc/36/35/26/656363526.db2.gz OKYJMBCHEFRXGD-GHMZBOCLSA-N 1 0 276.358 -1.379 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC2CN(CC(N)=O)C2)CC1 ZINC001031436836 656370270 /nfs/dbraw/zinc/37/02/70/656370270.db2.gz PMKRXBPJMJJLRM-UHFFFAOYSA-N 1 0 278.356 -1.383 20 30 CAEDRO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000917951629 656370747 /nfs/dbraw/zinc/37/07/47/656370747.db2.gz CEEFNQFPLLLHBK-NEPJUHHUSA-N 1 0 268.361 -1.084 20 30 CAEDRO C#CCN1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031622006 656377950 /nfs/dbraw/zinc/37/79/50/656377950.db2.gz RSGXCBMGKGTVCQ-GFCCVEGCSA-N 1 0 251.330 -1.002 20 30 CAEDRO C#CCN1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031622007 656378146 /nfs/dbraw/zinc/37/81/46/656378146.db2.gz RSGXCBMGKGTVCQ-LBPRGKRZSA-N 1 0 251.330 -1.002 20 30 CAEDRO C=C(C[NH+](C)C)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC000920019339 656379342 /nfs/dbraw/zinc/37/93/42/656379342.db2.gz KCWSCOMYSXLUIB-UHFFFAOYSA-N 1 0 265.317 -1.037 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031943303 656410052 /nfs/dbraw/zinc/41/00/52/656410052.db2.gz ZODWOBMQATYJTQ-JTQLQIEISA-N 1 0 250.302 -1.261 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032013795 656459615 /nfs/dbraw/zinc/45/96/15/656459615.db2.gz LYONACXABMPYNM-JTQLQIEISA-N 1 0 278.312 -1.344 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032205559 656471476 /nfs/dbraw/zinc/47/14/76/656471476.db2.gz BTKQWVPHKYXLRZ-UHFFFAOYSA-N 1 0 290.327 -1.552 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC1(C)C ZINC000996139765 656485790 /nfs/dbraw/zinc/48/57/90/656485790.db2.gz ZNZIICRAJOACEK-GFCCVEGCSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)CC1(C)C ZINC000996139767 656486122 /nfs/dbraw/zinc/48/61/22/656486122.db2.gz ZNZIICRAJOACEK-LBPRGKRZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC1(C)C ZINC000996585518 656492483 /nfs/dbraw/zinc/49/24/83/656492483.db2.gz PIIHZRCVWZVUQT-JTQLQIEISA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000996686454 656493476 /nfs/dbraw/zinc/49/34/76/656493476.db2.gz UFDVWMNUFYNNDX-JTQLQIEISA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000996870962 656495542 /nfs/dbraw/zinc/49/55/42/656495542.db2.gz VOTNFEAMCSNKHG-UHFFFAOYSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000996928356 656496794 /nfs/dbraw/zinc/49/67/94/656496794.db2.gz AXFGZLPKKOKQHU-SNVBAGLBSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000996928333 656497069 /nfs/dbraw/zinc/49/70/69/656497069.db2.gz AXFGZLPKKOKQHU-JTQLQIEISA-N 1 0 250.302 -1.118 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C(N)=O)CC2)C1=O ZINC000996953507 656497852 /nfs/dbraw/zinc/49/78/52/656497852.db2.gz SWWBDVUSZZGGLD-NSHDSACASA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000997040889 656498796 /nfs/dbraw/zinc/49/87/96/656498796.db2.gz BXMBLNHXJPHYKU-JTQLQIEISA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000997106760 656499866 /nfs/dbraw/zinc/49/98/66/656499866.db2.gz KSEKMZQWQVCZRB-UHFFFAOYSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000997366740 656506024 /nfs/dbraw/zinc/50/60/24/656506024.db2.gz FYACOJFWUJETSU-UHFFFAOYSA-N 1 0 290.327 -1.409 20 30 CAEDRO CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O ZINC001032486766 656512455 /nfs/dbraw/zinc/51/24/55/656512455.db2.gz YVRDYJZFBALICY-RYUDHWBXSA-N 1 0 289.339 -1.110 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C(N)=O)C2)CC1 ZINC000998723454 656555198 /nfs/dbraw/zinc/55/51/98/656555198.db2.gz SMESQVDAUOUPBY-UHFFFAOYSA-N 1 0 292.339 -1.856 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)C(N)=O)C2)C1=O ZINC000999329119 656575407 /nfs/dbraw/zinc/57/54/07/656575407.db2.gz APUBGWFPMJNJFD-VQXHTEKXSA-N 1 0 294.355 -1.162 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000999396332 656576550 /nfs/dbraw/zinc/57/65/50/656576550.db2.gz ILYROSJJKSSALQ-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC000999570460 656579171 /nfs/dbraw/zinc/57/91/71/656579171.db2.gz UOINVEXCHUINIM-UHFFFAOYSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC000999805407 656584483 /nfs/dbraw/zinc/58/44/83/656584483.db2.gz QWSGUWHNQCCJLL-UHFFFAOYSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000999870579 656586282 /nfs/dbraw/zinc/58/62/82/656586282.db2.gz NIVGBBVMKZULAA-UHFFFAOYSA-N 1 0 290.327 -1.411 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053455 656591539 /nfs/dbraw/zinc/59/15/39/656591539.db2.gz SNYNEDOSXBIPAQ-MNOVXSKESA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000037901 656594069 /nfs/dbraw/zinc/59/40/69/656594069.db2.gz MBZLILAWFURBLB-UWVGGRQHSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000037902 656594853 /nfs/dbraw/zinc/59/48/53/656594853.db2.gz MBZLILAWFURBLB-VHSXEESVSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001000956753 656614962 /nfs/dbraw/zinc/61/49/62/656614962.db2.gz GASHTBQAPNQYNJ-WDEREUQCSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001000991113 656615692 /nfs/dbraw/zinc/61/56/92/656615692.db2.gz GPCKMDPLTYPXBZ-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001000956738 656615827 /nfs/dbraw/zinc/61/58/27/656615827.db2.gz GASHTBQAPNQYNJ-GHMZBOCLSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CC[N@H+](C)CCCNC(=O)N1CC(S(N)(=O)=O)C1 ZINC000922629097 656682290 /nfs/dbraw/zinc/68/22/90/656682290.db2.gz UHHMLNSOZDVKOC-UHFFFAOYSA-N 1 0 288.373 -1.376 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328971 656704136 /nfs/dbraw/zinc/70/41/36/656704136.db2.gz RGIAVMNPSMGNCM-LBPRGKRZSA-N 1 0 278.356 -1.416 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001033381308 656707925 /nfs/dbraw/zinc/70/79/25/656707925.db2.gz WCMGZJOGAOQMJK-NXEZZACHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033463527 656717144 /nfs/dbraw/zinc/71/71/44/656717144.db2.gz PKGIZXXONRUYMF-UWVGGRQHSA-N 1 0 278.312 -1.250 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671715 656727615 /nfs/dbraw/zinc/72/76/15/656727615.db2.gz PQRXODQBQDUXDT-QWRGUYRKSA-N 1 0 285.369 -1.156 20 30 CAEDRO C[NH+](C)C[C@H](N)C(=O)N1CCN(CCC#N)CC1 ZINC000702392289 656737127 /nfs/dbraw/zinc/73/71/27/656737127.db2.gz RTIYSVCCEBGCKL-NSHDSACASA-N 1 0 253.350 -1.067 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035035944 656752815 /nfs/dbraw/zinc/75/28/15/656752815.db2.gz XPMGOHHAUMDQPF-MNOVXSKESA-N 1 0 294.355 -1.161 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035035943 656753424 /nfs/dbraw/zinc/75/34/24/656753424.db2.gz XPMGOHHAUMDQPF-GHMZBOCLSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001036140173 656787606 /nfs/dbraw/zinc/78/76/06/656787606.db2.gz BTLCTXWYNJQVRX-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001036140174 656788053 /nfs/dbraw/zinc/78/80/53/656788053.db2.gz BTLCTXWYNJQVRX-QWHCGFSZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC001036283977 656790504 /nfs/dbraw/zinc/79/05/04/656790504.db2.gz HCKJMOZNTCUZEK-QWRGUYRKSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001036215362 656791091 /nfs/dbraw/zinc/79/10/91/656791091.db2.gz RJLHKZUMHQWSBG-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001036283975 656791134 /nfs/dbraw/zinc/79/11/34/656791134.db2.gz HCKJMOZNTCUZEK-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO C=CCN(CC(=O)OCC)C(=O)CNC(=O)C[NH3+] ZINC000707335277 656792061 /nfs/dbraw/zinc/79/20/61/656792061.db2.gz CFQOVDDQYSEOJI-UHFFFAOYSA-N 1 0 257.290 -1.361 20 30 CAEDRO N#C[C@@]12CN(CCOCC[NH3+])C[C@@H]1CS(=O)(=O)C2 ZINC000923530772 656805712 /nfs/dbraw/zinc/80/57/12/656805712.db2.gz JVATYXHGFQAEPO-MNOVXSKESA-N 1 0 273.358 -1.168 20 30 CAEDRO N#C[C@]12CN(C[C@H]3C[NH2+]CCO3)C[C@H]1CS(=O)(=O)C2 ZINC000923531742 656806428 /nfs/dbraw/zinc/80/64/28/656806428.db2.gz UKPKZCZQPHCAFT-QJPTWQEYSA-N 1 0 285.369 -1.155 20 30 CAEDRO C=CCn1cc(CNS(=O)(=O)C2C[NH2+]C2)nn1 ZINC000923650525 656812567 /nfs/dbraw/zinc/81/25/67/656812567.db2.gz OQZWMFWDYBQERA-UHFFFAOYSA-N 1 0 257.319 -1.145 20 30 CAEDRO N#CCCN1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923665972 656813357 /nfs/dbraw/zinc/81/33/57/656813357.db2.gz JGBJEEMUDYGWKA-UHFFFAOYSA-N 1 0 258.347 -1.181 20 30 CAEDRO CN(CCC#N)S(=O)(=O)N1CCNCC[NH2+]CC1 ZINC000923690394 656815987 /nfs/dbraw/zinc/81/59/87/656815987.db2.gz JCDZNZJGMLLHQA-UHFFFAOYSA-N 1 0 275.378 -1.429 20 30 CAEDRO C=CCN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926301418 656821596 /nfs/dbraw/zinc/82/15/96/656821596.db2.gz ZOLMXUVJDCEDFH-GFCCVEGCSA-N 1 0 255.318 -1.057 20 30 CAEDRO C=CCN(CCOC)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926358231 656823008 /nfs/dbraw/zinc/82/30/08/656823008.db2.gz NSYCECSIHCBKPZ-UHFFFAOYSA-N 1 0 298.387 -1.331 20 30 CAEDRO C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926357866 656823021 /nfs/dbraw/zinc/82/30/21/656823021.db2.gz KUSOMZHWYAZSJT-AWEZNQCLSA-N 1 0 299.371 -1.040 20 30 CAEDRO N#CC[C@@H](O)C[N@H+](CCO)CCN1CCOCC1 ZINC000929779738 656832460 /nfs/dbraw/zinc/83/24/60/656832460.db2.gz IIPFVEAQVMROAP-GFCCVEGCSA-N 1 0 257.334 -1.113 20 30 CAEDRO N#Cc1c[nH]c(C(=O)NC[C@H]2CN(CC(N)=O)C[C@@H]2O)c1 ZINC000957957454 656937476 /nfs/dbraw/zinc/93/74/76/656937476.db2.gz NDSHNUWPJIHEJU-ONGXEEELSA-N 1 0 291.311 -1.606 20 30 CAEDRO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)c[nH]1 ZINC000957979009 656937937 /nfs/dbraw/zinc/93/79/37/656937937.db2.gz KPZGPFWNRMHERX-CMPLNLGQSA-N 1 0 278.312 -1.099 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)[nH]1 ZINC000957985950 656938617 /nfs/dbraw/zinc/93/86/17/656938617.db2.gz LGMQBXRJADJJJT-BXKDBHETSA-N 1 0 278.312 -1.099 20 30 CAEDRO COCCNC(=O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000303255077 656975790 /nfs/dbraw/zinc/97/57/90/656975790.db2.gz FURVYLZAEGNLDQ-SECBINFHSA-N 1 0 258.322 -1.168 20 30 CAEDRO COCCNC(=O)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000303255078 656976212 /nfs/dbraw/zinc/97/62/12/656976212.db2.gz FURVYLZAEGNLDQ-VIFPVBQESA-N 1 0 258.322 -1.168 20 30 CAEDRO CCS(=O)(=O)NCCCNC(=[NH2+])N1CCOCC1 ZINC000303987526 656982537 /nfs/dbraw/zinc/98/25/37/656982537.db2.gz VOYGTJWKEMMNKD-UHFFFAOYSA-N 1 0 278.378 -1.037 20 30 CAEDRO CCS(=O)(=O)NCCNC(=[NH2+])N[C@@H](C)COC ZINC000303901538 656982785 /nfs/dbraw/zinc/98/27/85/656982785.db2.gz STMZJXLZPFUZMP-QMMMGPOBSA-N 1 0 266.367 -1.135 20 30 CAEDRO [NH2+]=C(NCC(=O)N1CCOCC1)NC[C@@H]1CCCO1 ZINC000305778168 657007498 /nfs/dbraw/zinc/00/74/98/657007498.db2.gz MDUQMZIHRMTLEX-JTQLQIEISA-N 1 0 270.333 -1.072 20 30 CAEDRO C=CCNC(=O)CNC(NCCN1CCOCC1)=[NH+]C ZINC000305785856 657007502 /nfs/dbraw/zinc/00/75/02/657007502.db2.gz BRSRIPBKLXJABL-UHFFFAOYSA-N 1 0 283.376 -1.214 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000967976738 657051132 /nfs/dbraw/zinc/05/11/32/657051132.db2.gz XSCCJSNWNBCXQJ-NXEZZACHSA-N 1 0 293.327 -1.112 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014509744 657148459 /nfs/dbraw/zinc/14/84/59/657148459.db2.gz UGUZZHHGNYEUSU-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014638843 657151238 /nfs/dbraw/zinc/15/12/38/657151238.db2.gz MKSOKUNPLVNDMH-LLVKDONJSA-N 1 0 292.339 -1.077 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014774984 657154153 /nfs/dbraw/zinc/15/41/53/657154153.db2.gz KYCNTLIPCCZTBC-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015001946 657158993 /nfs/dbraw/zinc/15/89/93/657158993.db2.gz XNPUUHWUBUWHNC-ZDUSSCGKSA-N 1 0 292.383 -1.026 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508671 657170043 /nfs/dbraw/zinc/17/00/43/657170043.db2.gz JUAGSMSXAKARGD-LBPRGKRZSA-N 1 0 278.356 -1.368 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770046 657186520 /nfs/dbraw/zinc/18/65/20/657186520.db2.gz KVWDBTRUASCTAY-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865643 657190220 /nfs/dbraw/zinc/19/02/20/657190220.db2.gz CEJDGZDIKCVXLQ-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865311 657191485 /nfs/dbraw/zinc/19/14/85/657191485.db2.gz VUYPCLVMHHXAOX-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200333 657200027 /nfs/dbraw/zinc/20/00/27/657200027.db2.gz UTJWJKFQEQHXFT-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200334 657200319 /nfs/dbraw/zinc/20/03/19/657200319.db2.gz UTJWJKFQEQHXFT-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199345 657201947 /nfs/dbraw/zinc/20/19/47/657201947.db2.gz JLMRHZHULNSWDM-JTQLQIEISA-N 1 0 278.312 -1.248 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016203799 657203234 /nfs/dbraw/zinc/20/32/34/657203234.db2.gz VQWSDKDZMNVXDC-VIFPVBQESA-N 1 0 266.301 -1.085 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016282990 657205729 /nfs/dbraw/zinc/20/57/29/657205729.db2.gz FQYFCIZKLODTIS-QWRGUYRKSA-N 1 0 285.369 -1.108 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341606 657209600 /nfs/dbraw/zinc/20/96/00/657209600.db2.gz RCMDAHQESSIQJH-SNVBAGLBSA-N 1 0 290.327 -1.409 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016337980 657209618 /nfs/dbraw/zinc/20/96/18/657209618.db2.gz CIGWZYJHPUCERG-SECBINFHSA-N 1 0 278.316 -1.247 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016429057 657210474 /nfs/dbraw/zinc/21/04/74/657210474.db2.gz BZRJDRBUAXNDNC-UWVGGRQHSA-N 1 0 263.297 -1.137 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018647109 657237848 /nfs/dbraw/zinc/23/78/48/657237848.db2.gz QKRGXNGMKIUTET-QWRGUYRKSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001018903998 657250222 /nfs/dbraw/zinc/25/02/22/657250222.db2.gz QFQZLCHJWNBUAD-JTQLQIEISA-N 1 0 256.327 -1.145 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001018939709 657252192 /nfs/dbraw/zinc/25/21/92/657252192.db2.gz UPQPWSXOVUGIAF-NSHDSACASA-N 1 0 285.369 -1.154 20 30 CAEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018983435 657252360 /nfs/dbraw/zinc/25/23/60/657252360.db2.gz BJCOTGGTGKBSIE-IUCAKERBSA-N 1 0 266.301 -1.039 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001019461231 657268260 /nfs/dbraw/zinc/26/82/60/657268260.db2.gz KKPMXQFITUAIRH-JTQLQIEISA-N 1 0 290.323 -1.479 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001019498595 657270518 /nfs/dbraw/zinc/27/05/18/657270518.db2.gz IUNMFAGNCTZBFX-QWRGUYRKSA-N 1 0 285.369 -1.156 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001019503664 657270980 /nfs/dbraw/zinc/27/09/80/657270980.db2.gz PRXBGYGRDPDULJ-XIRUVYRFSA-N 1 0 290.323 -1.202 20 30 CAEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001019482888 657271077 /nfs/dbraw/zinc/27/10/77/657271077.db2.gz BFXPDKUYTZALML-VIFPVBQESA-N 1 0 278.316 -1.247 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001019650901 657276638 /nfs/dbraw/zinc/27/66/38/657276638.db2.gz UAJOXOSBXRWYJV-VIFPVBQESA-N 1 0 286.295 -1.145 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820235 657279168 /nfs/dbraw/zinc/27/91/68/657279168.db2.gz BLZCUAMFAAXGLF-VIFPVBQESA-N 1 0 276.300 -1.799 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001019892322 657281434 /nfs/dbraw/zinc/28/14/34/657281434.db2.gz FJPWGZGFTFUOGZ-UWVGGRQHSA-N 1 0 263.297 -1.137 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001020242023 657291751 /nfs/dbraw/zinc/29/17/51/657291751.db2.gz DHIWGZQVFUSYTL-XYPYZODXSA-N 1 0 265.313 -1.285 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001020327373 657293189 /nfs/dbraw/zinc/29/31/89/657293189.db2.gz BBPKCONGMWKJDB-MGCOHNPYSA-N 1 0 263.301 -1.548 20 30 CAEDRO CCC[C@H](CC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257246105 782190943 /nfs/dbraw/zinc/19/09/43/782190943.db2.gz BYFUXPRZNCPPNZ-PREPNJAASA-N 1 0 263.334 -1.203 20 30 CAEDRO CC#CC[NH2+]CCCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001276265290 782191298 /nfs/dbraw/zinc/19/12/98/782191298.db2.gz KNFUNVOTXCVDPM-LBPRGKRZSA-N 1 0 296.371 -1.172 20 30 CAEDRO CSCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258202821 782200930 /nfs/dbraw/zinc/20/09/30/782200930.db2.gz WOXKWPLRYTXFDY-RCZSTQMZSA-N 1 0 281.374 -1.640 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865460 782202613 /nfs/dbraw/zinc/20/26/13/782202613.db2.gz CVXQRDHWBOLAFA-AGIUHOORSA-N 1 0 290.367 -1.227 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114615899 782207391 /nfs/dbraw/zinc/20/73/91/782207391.db2.gz FTSQWCUHIGDFOD-PJXYFTJBSA-N 1 0 289.339 -1.349 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114679379 782209859 /nfs/dbraw/zinc/20/98/59/782209859.db2.gz XIOXEYOBZDAFKG-NDBYEHHHSA-N 1 0 291.351 -1.181 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752817 782211160 /nfs/dbraw/zinc/21/11/60/782211160.db2.gz LNBVMQKFJBTQBB-AXTSPUMRSA-N 1 0 278.312 -2.344 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754617 782212633 /nfs/dbraw/zinc/21/26/33/782212633.db2.gz FDHVGNSYUWQTSB-IMSYWVGJSA-N 1 0 280.328 -1.791 20 30 CAEDRO C#CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774440 782214148 /nfs/dbraw/zinc/21/41/48/782214148.db2.gz OOJJCERNCQQESR-JYAVWHMHSA-N 1 0 292.383 -1.266 20 30 CAEDRO C=CCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258718146 782217053 /nfs/dbraw/zinc/21/70/53/782217053.db2.gz HZCXMTLPNQIXOT-IYKVGLELSA-N 1 0 261.318 -1.427 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001114888444 782223291 /nfs/dbraw/zinc/22/32/91/782223291.db2.gz HWJFIBQIQYMQIS-WYUUTHIRSA-N 1 0 299.396 -1.006 20 30 CAEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001114888618 782223474 /nfs/dbraw/zinc/22/34/74/782223474.db2.gz KVWCOIBRMBBZPG-WYUUTHIRSA-N 1 0 299.396 -1.006 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114933122 782226939 /nfs/dbraw/zinc/22/69/39/782226939.db2.gz PVPPDHNDAOTJAK-SRRSOLGSSA-N 1 0 292.339 -1.954 20 30 CAEDRO C#CC[NH2+]CCCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001276373456 782241113 /nfs/dbraw/zinc/24/11/13/782241113.db2.gz VUJQXVKXFFCGPD-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001038758503 782255638 /nfs/dbraw/zinc/25/56/38/782255638.db2.gz YFRXZWHQJWAKTE-UWVGGRQHSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001039022809 782264204 /nfs/dbraw/zinc/26/42/04/782264204.db2.gz GJDVGYDKQRJFML-GHMZBOCLSA-N 1 0 285.369 -1.108 20 30 CAEDRO C=CCOCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001042047525 782322786 /nfs/dbraw/zinc/32/27/86/782322786.db2.gz SSRIWHXKCVVFJP-UHFFFAOYSA-N 1 0 299.371 -1.170 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042096795 782324289 /nfs/dbraw/zinc/32/42/89/782324289.db2.gz BPEBIKSTPQXSJB-GHMZBOCLSA-N 1 0 294.355 -1.070 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(C)=O)C1 ZINC001043648761 782373631 /nfs/dbraw/zinc/37/36/31/782373631.db2.gz IIPKMTWNXZWQRF-LBPRGKRZSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N(C)C2CN(CC(N)=O)C2)CC1 ZINC001044336156 782398598 /nfs/dbraw/zinc/39/85/98/782398598.db2.gz ZDMJINIUTGCYIP-UHFFFAOYSA-N 1 0 292.383 -1.041 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045177287 782413526 /nfs/dbraw/zinc/41/35/26/782413526.db2.gz XPMGOHHAUMDQPF-WDEREUQCSA-N 1 0 294.355 -1.161 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001045541427 782427378 /nfs/dbraw/zinc/42/73/78/782427378.db2.gz WLMXNVMUBQEXMR-QWRGUYRKSA-N 1 0 294.355 -1.070 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001045556287 782428683 /nfs/dbraw/zinc/42/86/83/782428683.db2.gz ZUNIUXYTEWXCBE-LLVKDONJSA-N 1 0 294.355 -1.069 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001045555194 782428843 /nfs/dbraw/zinc/42/88/43/782428843.db2.gz OIVIPNFJIVDKPZ-GHMZBOCLSA-N 1 0 294.355 -1.213 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001045556288 782429466 /nfs/dbraw/zinc/42/94/66/782429466.db2.gz ZUNIUXYTEWXCBE-NSHDSACASA-N 1 0 294.355 -1.069 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057563 782432578 /nfs/dbraw/zinc/43/25/78/782432578.db2.gz QJKVIBCPTWPRSM-LBPRGKRZSA-N 1 0 278.356 -1.287 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057562 782432619 /nfs/dbraw/zinc/43/26/19/782432619.db2.gz QJKVIBCPTWPRSM-GFCCVEGCSA-N 1 0 278.356 -1.287 20 30 CAEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046059010 782433626 /nfs/dbraw/zinc/43/36/26/782433626.db2.gz XESFJHYWBQMIQY-NSHDSACASA-N 1 0 264.329 -1.677 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046059009 782433845 /nfs/dbraw/zinc/43/38/45/782433845.db2.gz XESFJHYWBQMIQY-LLVKDONJSA-N 1 0 264.329 -1.677 20 30 CAEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046588628 782443901 /nfs/dbraw/zinc/44/39/01/782443901.db2.gz QLTMMFQLBKOITC-SKDRFNHKSA-N 1 0 250.302 -1.118 20 30 CAEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046850041 782448267 /nfs/dbraw/zinc/44/82/67/782448267.db2.gz ZDLOTKRBGXQMGC-JQWIXIFHSA-N 1 0 285.369 -1.108 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296292 782456878 /nfs/dbraw/zinc/45/68/78/782456878.db2.gz AIPNFQLUBSIAHZ-UWVGGRQHSA-N 1 0 266.305 -1.637 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001047311999 782458162 /nfs/dbraw/zinc/45/81/62/782458162.db2.gz OQKZEPCXMFCLKH-AVGNSLFASA-N 1 0 282.340 -1.071 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001047312000 782458715 /nfs/dbraw/zinc/45/87/15/782458715.db2.gz OQKZEPCXMFCLKH-RWMBFGLXSA-N 1 0 282.340 -1.071 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047354798 782464812 /nfs/dbraw/zinc/46/48/12/782464812.db2.gz MFNBBSRHOIIRDQ-UWVGGRQHSA-N 1 0 281.316 -1.327 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047415082 782474285 /nfs/dbraw/zinc/47/42/85/782474285.db2.gz FPEFRMTVUKDVBQ-IHRRRGAJSA-N 1 0 295.383 -1.420 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001047410516 782474392 /nfs/dbraw/zinc/47/43/92/782474392.db2.gz MDXCFTYNBHERJV-RYUDHWBXSA-N 1 0 297.355 -1.465 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047379688 782470143 /nfs/dbraw/zinc/47/01/43/782470143.db2.gz AEUSRVFXMJZBLD-UWVGGRQHSA-N 1 0 266.305 -1.637 20 30 CAEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381657 782470244 /nfs/dbraw/zinc/47/02/44/782470244.db2.gz PQXOZLIRAGFOIH-QWRGUYRKSA-N 1 0 280.332 -1.247 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001047401462 782472704 /nfs/dbraw/zinc/47/27/04/782472704.db2.gz RMXFBJMQRUQBCS-AVGNSLFASA-N 1 0 293.367 -1.009 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001047483093 782480005 /nfs/dbraw/zinc/48/00/05/782480005.db2.gz WQYFKORKRUZPGN-SRVKXCTJSA-N 1 0 279.340 -1.351 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047483470 782480870 /nfs/dbraw/zinc/48/08/70/782480870.db2.gz MJMXLZCMBULIHU-RYUDHWBXSA-N 1 0 296.371 -1.892 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001047483094 782481083 /nfs/dbraw/zinc/48/10/83/782481083.db2.gz WQYFKORKRUZPGN-WOPDTQHZSA-N 1 0 279.340 -1.351 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096188611 782477549 /nfs/dbraw/zinc/47/75/49/782477549.db2.gz JBPNPUIQJBKUDK-VWYCJHECSA-N 1 0 290.323 -1.107 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047507321 782484381 /nfs/dbraw/zinc/48/43/81/782484381.db2.gz NTACMNOKTGWFSX-DCAQKATOSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001047621222 782500785 /nfs/dbraw/zinc/50/07/85/782500785.db2.gz JFBJSMLDFVBWEZ-QWRGUYRKSA-N 1 0 293.323 -1.728 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047619521 782499207 /nfs/dbraw/zinc/49/92/07/782499207.db2.gz ROSOLYFPUKIBDR-QWRGUYRKSA-N 1 0 263.301 -1.585 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001047641276 782499804 /nfs/dbraw/zinc/49/98/04/782499804.db2.gz VIYLKFWVQMCRKM-AVGNSLFASA-N 1 0 293.367 -1.009 20 30 CAEDRO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047627131 782500383 /nfs/dbraw/zinc/50/03/83/782500383.db2.gz LBPWQBAGEOGICI-SRVKXCTJSA-N 1 0 266.345 -1.035 20 30 CAEDRO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001047641275 782500717 /nfs/dbraw/zinc/50/07/17/782500717.db2.gz VIYLKFWVQMCRKM-AGIUHOORSA-N 1 0 293.367 -1.009 20 30 CAEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001047650451 782502570 /nfs/dbraw/zinc/50/25/70/782502570.db2.gz WJMQUWNGFKLDSV-VWYCJHECSA-N 1 0 295.339 -1.271 20 30 CAEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977219 782521439 /nfs/dbraw/zinc/52/14/39/782521439.db2.gz ZIKMDWDGRNWCOJ-BETUJISGSA-N 1 0 292.383 -1.006 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048976829 782522659 /nfs/dbraw/zinc/52/26/59/782522659.db2.gz RMILIRLUPUNWLR-BETUJISGSA-N 1 0 290.367 -1.558 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019310 782524255 /nfs/dbraw/zinc/52/42/55/782524255.db2.gz QYFQHXAVZMIFTK-OUAUKWLOSA-N 1 0 262.313 -1.309 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991503 782524977 /nfs/dbraw/zinc/52/49/77/782524977.db2.gz YQRRXPJOWBJLFW-AOOOYVTPSA-N 1 0 260.301 -1.153 20 30 CAEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049087406 782529842 /nfs/dbraw/zinc/52/98/42/782529842.db2.gz OGTTWTYGIYHLTK-AXFHLTTASA-N 1 0 290.323 -1.392 20 30 CAEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001097243108 782548342 /nfs/dbraw/zinc/54/83/42/782548342.db2.gz GTLIRHQFDSQFTE-ZNSHCXBVSA-N 1 0 290.323 -1.061 20 30 CAEDRO C[N@@H+]1CCC[C@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001254505041 782549915 /nfs/dbraw/zinc/54/99/15/782549915.db2.gz YENMKNZUWQJPSF-KIJLLGNVSA-N 1 0 290.360 -2.297 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC(=O)NC)C1 ZINC001100274163 782549945 /nfs/dbraw/zinc/54/99/45/782549945.db2.gz ZWQWAXNMNDXBOM-UHFFFAOYSA-N 1 0 294.355 -1.644 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123792358 775980336 /nfs/dbraw/zinc/98/03/36/775980336.db2.gz UFKYCSLVZJUJEP-UHFFFAOYSA-N 1 0 287.345 -1.595 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COCC(F)F ZINC001131765572 776701573 /nfs/dbraw/zinc/70/15/73/776701573.db2.gz CFZLTFMCEAOVGF-UHFFFAOYSA-N 1 0 278.259 -1.386 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132739243 776749468 /nfs/dbraw/zinc/74/94/68/776749468.db2.gz ODUOFDUDNNAWHB-UHFFFAOYSA-N 1 0 265.273 -1.437 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715757 776749945 /nfs/dbraw/zinc/74/99/45/776749945.db2.gz YLGJJOHZKXNGLI-AWEZNQCLSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001133516042 776780901 /nfs/dbraw/zinc/78/09/01/776780901.db2.gz VHERJZOEMFNCDG-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001283806047 777919150 /nfs/dbraw/zinc/91/91/50/777919150.db2.gz USUVCKOMXXORFN-ZJUUUORDSA-N 1 0 293.389 -1.433 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1conc1C ZINC001283805603 777919303 /nfs/dbraw/zinc/91/93/03/777919303.db2.gz YLZCSQDUGHGBHR-SNVBAGLBSA-N 1 0 296.327 -1.034 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1conc1C ZINC001283805601 777919316 /nfs/dbraw/zinc/91/93/16/777919316.db2.gz YLZCSQDUGHGBHR-JTQLQIEISA-N 1 0 296.327 -1.034 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001283798412 777919502 /nfs/dbraw/zinc/91/95/02/777919502.db2.gz XSCSHJRAUHLTGJ-VIFPVBQESA-N 1 0 255.318 -1.105 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001283805176 777919610 /nfs/dbraw/zinc/91/96/10/777919610.db2.gz RDIKUSYOFFNQIT-AXFHLTTASA-N 1 0 258.318 -1.364 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001283806045 777919822 /nfs/dbraw/zinc/91/98/22/777919822.db2.gz USUVCKOMXXORFN-VHSXEESVSA-N 1 0 293.389 -1.433 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001284466209 777943574 /nfs/dbraw/zinc/94/35/74/777943574.db2.gz ALTMGPIYLJDZJI-NSHDSACASA-N 1 0 295.339 -1.432 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001284458116 777943623 /nfs/dbraw/zinc/94/36/23/777943623.db2.gz ZEINWNFWFZAFGP-ZJUUUORDSA-N 1 0 253.302 -1.693 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)COCc1nncn1C ZINC001284457695 777943766 /nfs/dbraw/zinc/94/37/66/777943766.db2.gz WSMXLBUJMVWEAL-NSHDSACASA-N 1 0 295.343 -1.626 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001284448411 777943843 /nfs/dbraw/zinc/94/38/43/777943843.db2.gz OMJRXJPHYMMNRJ-GFCCVEGCSA-N 1 0 279.344 -1.210 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001284460458 777944505 /nfs/dbraw/zinc/94/45/05/777944505.db2.gz SLDRJEOYCGHUOY-LLVKDONJSA-N 1 0 295.343 -1.513 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001284447615 777944567 /nfs/dbraw/zinc/94/45/67/777944567.db2.gz HEASWTOAQFBIFK-AEJSXWLSSA-N 1 0 255.318 -1.297 20 30 CAEDRO C#CCCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001120420623 779635755 /nfs/dbraw/zinc/63/57/55/779635755.db2.gz MIDVGTKEVIAVGB-UHFFFAOYSA-N 1 0 280.372 -1.073 20 30 CAEDRO C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791897 780179249 /nfs/dbraw/zinc/17/92/49/780179249.db2.gz YBTRVCIHFYLDEU-UWVGGRQHSA-N 1 0 253.302 -1.300 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001120583350 779643166 /nfs/dbraw/zinc/64/31/66/779643166.db2.gz PDZCAKBRFNZPTG-CMPLNLGQSA-N 1 0 258.318 -1.219 20 30 CAEDRO C#CC[NH2+]CC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001122365943 779666598 /nfs/dbraw/zinc/66/65/98/779666598.db2.gz SKRKCTHJAPRKMB-ZJUUUORDSA-N 1 0 273.358 -1.408 20 30 CAEDRO C[NH+](C)CCC(=O)NC[C@@H](CO)Nc1ccnc(C#N)n1 ZINC001122543665 779672378 /nfs/dbraw/zinc/67/23/78/779672378.db2.gz OSSNRUJUPFOPQG-JTQLQIEISA-N 1 0 292.343 -1.389 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc[n+]([O-])cc1 ZINC001123040610 779678621 /nfs/dbraw/zinc/67/86/21/779678621.db2.gz PJZZNNNIMTXNMN-UHFFFAOYSA-N 1 0 277.284 -1.721 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc[n+]([O-])cc1 ZINC001123041586 779678632 /nfs/dbraw/zinc/67/86/32/779678632.db2.gz ZLTKPWMVFVGVMW-UHFFFAOYSA-N 1 0 276.296 -1.611 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123082668 779679315 /nfs/dbraw/zinc/67/93/15/779679315.db2.gz LCBMUBVGSKVFBD-UWVGGRQHSA-N 1 0 282.344 -1.645 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123092304 779679373 /nfs/dbraw/zinc/67/93/73/779679373.db2.gz WQUFBJGLYYGWOC-UHFFFAOYSA-N 1 0 278.272 -1.859 20 30 CAEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153445713 779839294 /nfs/dbraw/zinc/83/92/94/779839294.db2.gz GWDGTPBBYABGIF-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CN(C)C(C)=O)C1=O ZINC001123814538 779694587 /nfs/dbraw/zinc/69/45/87/779694587.db2.gz AXOBSPYFDQEFRE-GFCCVEGCSA-N 1 0 296.371 -1.043 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)OC ZINC001124187121 779706090 /nfs/dbraw/zinc/70/60/90/779706090.db2.gz YHPDIIFYKQTSIF-VIFPVBQESA-N 1 0 286.332 -1.261 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)OC ZINC001124186234 779706166 /nfs/dbraw/zinc/70/61/66/779706166.db2.gz BXIPNIYYXCAWHB-SECBINFHSA-N 1 0 284.316 -1.814 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccon1 ZINC001124187174 779706357 /nfs/dbraw/zinc/70/63/57/779706357.db2.gz ZZUARHITIFTXFI-UHFFFAOYSA-N 1 0 251.246 -1.366 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnns1 ZINC001124182097 779706398 /nfs/dbraw/zinc/70/63/98/779706398.db2.gz QBMAQHXZELTSLW-MRVPVSSYSA-N 1 0 281.341 -1.005 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCNC(N)=O ZINC001150431720 779794303 /nfs/dbraw/zinc/79/43/03/779794303.db2.gz FJVYPUVNAUXOLD-SECBINFHSA-N 1 0 283.332 -2.112 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150444296 779794387 /nfs/dbraw/zinc/79/43/87/779794387.db2.gz LUZSNIGVGMINKK-UHFFFAOYSA-N 1 0 261.285 -1.082 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCNC(N)=O ZINC001150431721 779794482 /nfs/dbraw/zinc/79/44/82/779794482.db2.gz FJVYPUVNAUXOLD-VIFPVBQESA-N 1 0 283.332 -2.112 20 30 CAEDRO COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)C[C@@H]1[NH3+] ZINC001239136447 780533162 /nfs/dbraw/zinc/53/31/62/780533162.db2.gz SLJUJDJTKOQYCD-RNJXMRFFSA-N 1 0 261.303 -1.340 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001278630658 780574123 /nfs/dbraw/zinc/57/41/23/780574123.db2.gz LRUSELUNBMPJGH-SNVBAGLBSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCC(=O)N1CCOCC1 ZINC001251821798 780577303 /nfs/dbraw/zinc/57/73/03/780577303.db2.gz XYBKRQVTLGWMQZ-LBPRGKRZSA-N 1 0 270.329 -1.164 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCC(=O)N1CCOCC1 ZINC001251821797 780577569 /nfs/dbraw/zinc/57/75/69/780577569.db2.gz XYBKRQVTLGWMQZ-GFCCVEGCSA-N 1 0 270.329 -1.164 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001251888284 780578321 /nfs/dbraw/zinc/57/83/21/780578321.db2.gz QWGZTNQZJJNBBZ-ROHXPCBUSA-N 1 0 259.302 -2.311 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCNC(=O)N1CCOCC1 ZINC001251885380 780578400 /nfs/dbraw/zinc/57/84/00/780578400.db2.gz UGWSHLHQOUTWFJ-GFCCVEGCSA-N 1 0 285.344 -1.372 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCNC(=O)N1CCOCC1 ZINC001251885381 780578550 /nfs/dbraw/zinc/57/85/50/780578550.db2.gz UGWSHLHQOUTWFJ-LBPRGKRZSA-N 1 0 285.344 -1.372 20 30 CAEDRO C#CCOC[C@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC001251858261 780578597 /nfs/dbraw/zinc/57/85/97/780578597.db2.gz UURJAWAWFCETQH-LLVKDONJSA-N 1 0 271.313 -1.003 20 30 CAEDRO C#CCOC[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001251855468 780578655 /nfs/dbraw/zinc/57/86/55/780578655.db2.gz XXCOTEJMRMLMMU-SNVBAGLBSA-N 1 0 281.312 -1.329 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001251891083 780578657 /nfs/dbraw/zinc/57/86/57/780578657.db2.gz LKWNCDZZRZSRHN-JTQLQIEISA-N 1 0 256.302 -1.379 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCOCCOCCO ZINC001251888313 780578664 /nfs/dbraw/zinc/57/86/64/780578664.db2.gz RSFHYDJWKSKBBC-GFCCVEGCSA-N 1 0 261.318 -1.388 20 30 CAEDRO C#CCOC[C@@H](O)CN1CC(N2CC[NH+](C)CC2)C1 ZINC001251858487 780578728 /nfs/dbraw/zinc/57/87/28/780578728.db2.gz ZEYNWRQIKSIKPL-AWEZNQCLSA-N 1 0 267.373 -1.071 20 30 CAEDRO C#CCOC[C@H](O)CN1CC(N2CC[NH+](C)CC2)C1 ZINC001251858488 780578740 /nfs/dbraw/zinc/57/87/40/780578740.db2.gz ZEYNWRQIKSIKPL-CQSZACIVSA-N 1 0 267.373 -1.071 20 30 CAEDRO C#CCOC[C@@H](O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001251851841 780578799 /nfs/dbraw/zinc/57/87/99/780578799.db2.gz TYPMRTYFINKOGU-LBPRGKRZSA-N 1 0 283.372 -1.121 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001278751258 780595998 /nfs/dbraw/zinc/59/59/98/780595998.db2.gz YKLAVMYZVNAPLE-MNOVXSKESA-N 1 0 265.317 -1.119 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001278749560 780596096 /nfs/dbraw/zinc/59/60/96/780596096.db2.gz KHRLYMQGJCCPBS-JTQLQIEISA-N 1 0 265.317 -1.139 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001278773888 780601879 /nfs/dbraw/zinc/60/18/79/780601879.db2.gz NAJVKLVNVIRFRL-LBPRGKRZSA-N 1 0 296.371 -2.198 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001278773887 780602286 /nfs/dbraw/zinc/60/22/86/780602286.db2.gz NAJVKLVNVIRFRL-GFCCVEGCSA-N 1 0 296.371 -2.198 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CNS(=O)(=O)NC ZINC001278786318 780605345 /nfs/dbraw/zinc/60/53/45/780605345.db2.gz PMXJYFOFFYVOCZ-VIFPVBQESA-N 1 0 292.361 -2.918 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001278794544 780605506 /nfs/dbraw/zinc/60/55/06/780605506.db2.gz CRXGKWANIZEWHF-FZMZJTMJSA-N 1 0 279.340 -1.301 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001278845067 780612535 /nfs/dbraw/zinc/61/25/35/780612535.db2.gz RIDZKTUNWQZKLY-LLVKDONJSA-N 1 0 280.332 -1.553 20 30 CAEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001278882160 780617805 /nfs/dbraw/zinc/61/78/05/780617805.db2.gz ASVDPLXIWWTBMR-LLVKDONJSA-N 1 0 284.360 -1.181 20 30 CAEDRO O=C[C@H]([NH2+]C1CCCCCC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255881632 780618581 /nfs/dbraw/zinc/61/85/81/780618581.db2.gz SBKFYCXXDBZJGL-UMSGYPCISA-N 1 0 275.345 -1.059 20 30 CAEDRO C[C@H](CNC(=O)NCC#CC[NH+](C)C)S(N)(=O)=O ZINC001256585361 780625217 /nfs/dbraw/zinc/62/52/17/780625217.db2.gz QGNAKUSKGQJUFO-SECBINFHSA-N 1 0 276.362 -1.472 20 30 CAEDRO C=CCNC(=O)C[NH+]1CCC(CNC(=O)CC(N)=O)CC1 ZINC001222688150 780426995 /nfs/dbraw/zinc/42/69/95/780426995.db2.gz MYYQZNYZPGFARH-UHFFFAOYSA-N 1 0 296.371 -1.008 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC(CNC(=O)CC(N)=O)CC1 ZINC001222691757 780427133 /nfs/dbraw/zinc/42/71/33/780427133.db2.gz QRYWLACAQNBYFU-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001278177158 780512942 /nfs/dbraw/zinc/51/29/42/780512942.db2.gz IWFDQZBTZCDZQD-SNVBAGLBSA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001278178078 780513150 /nfs/dbraw/zinc/51/31/50/780513150.db2.gz ANAACNZOBVESBG-SECBINFHSA-N 1 0 282.300 -2.372 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001278178651 780513423 /nfs/dbraw/zinc/51/34/23/780513423.db2.gz KIHNQZCTEHFNCZ-SNVBAGLBSA-N 1 0 298.343 -1.429 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001278172694 780513455 /nfs/dbraw/zinc/51/34/55/780513455.db2.gz XUNXGVMWLNAHAH-SNVBAGLBSA-N 1 0 266.305 -1.847 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN1CCC(=O)NC1=O ZINC001278178079 780513462 /nfs/dbraw/zinc/51/34/62/780513462.db2.gz ANAACNZOBVESBG-VIFPVBQESA-N 1 0 282.300 -2.372 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238325720 780515353 /nfs/dbraw/zinc/51/53/53/780515353.db2.gz CQJXSPVJGAOWDN-ZXFLCMHBSA-N 1 0 258.303 -1.604 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238325688 780515392 /nfs/dbraw/zinc/51/53/92/780515392.db2.gz CQJXSPVJGAOWDN-BHNWBGBOSA-N 1 0 258.303 -1.604 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001278214588 780515482 /nfs/dbraw/zinc/51/54/82/780515482.db2.gz WZALLAWXECTWGC-LLVKDONJSA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccc(C(N)=O)n1 ZINC001278202898 780515494 /nfs/dbraw/zinc/51/54/94/780515494.db2.gz WOOPHGZCBHLQPL-VIFPVBQESA-N 1 0 276.296 -1.506 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001278230610 780518525 /nfs/dbraw/zinc/51/85/25/780518525.db2.gz DIGHJGNJGUEQRL-ZJUUUORDSA-N 1 0 280.328 -1.810 20 30 CAEDRO N#CCS(=O)(=O)NC1CN(C2CC[NH2+]CC2)C1 ZINC001238475784 780518655 /nfs/dbraw/zinc/51/86/55/780518655.db2.gz UXGOVKPMDXWKQU-UHFFFAOYSA-N 1 0 258.347 -1.134 20 30 CAEDRO CC(C)C[C@H](NS(=O)(=O)CC[NH3+])C(=O)NO ZINC001238916309 780524571 /nfs/dbraw/zinc/52/45/71/780524571.db2.gz UZFZTOGIHRXTKY-ZETCQYMHSA-N 1 0 253.324 -1.215 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CCCn1c(=O)ccn(C)c1=O ZINC001262573137 780716032 /nfs/dbraw/zinc/71/60/32/780716032.db2.gz NUOBFARKQVCVRX-UHFFFAOYSA-N 1 0 292.339 -1.334 20 30 CAEDRO C#CCNC(=O)CC[NH2+]CC12COCCN1CCOC2 ZINC001262577783 780716094 /nfs/dbraw/zinc/71/60/94/780716094.db2.gz YKPQGSHXHIRJAE-UHFFFAOYSA-N 1 0 281.356 -1.183 20 30 CAEDRO Cn1c(=O)[n-]c(NCC#CC[NH+](C)C)c(C#N)c1=O ZINC001262703724 780717268 /nfs/dbraw/zinc/71/72/68/780717268.db2.gz UGAVEQLWLRYZLV-UHFFFAOYSA-N 1 0 261.285 -1.078 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)C(=O)NCC(F)F ZINC001279753384 780776230 /nfs/dbraw/zinc/77/62/30/780776230.db2.gz KBPDRFGRVRIRNX-UHFFFAOYSA-N 1 0 291.298 -1.199 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001279810176 780776538 /nfs/dbraw/zinc/77/65/38/780776538.db2.gz OUXWQHALHKJVGM-UHFFFAOYSA-N 1 0 272.305 -2.816 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)c1cn(C)nn1 ZINC001279704805 780776793 /nfs/dbraw/zinc/77/67/93/780776793.db2.gz FBHDMIQCSCKKFL-UHFFFAOYSA-N 1 0 265.317 -1.138 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN1C(=O)CN(C)C1=O ZINC001279901344 780777772 /nfs/dbraw/zinc/77/77/72/780777772.db2.gz DXRQXUIWTDYARF-UHFFFAOYSA-N 1 0 296.327 -2.076 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 ZINC001279821140 780778102 /nfs/dbraw/zinc/77/81/02/780778102.db2.gz ULZVUWVSMPEBER-ZDUSSCGKSA-N 1 0 267.329 -1.301 20 30 CAEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)CN1C(=O)CNC1=O ZINC001279901968 780778178 /nfs/dbraw/zinc/77/81/78/780778178.db2.gz YXCLDPGIKGAFDC-UHFFFAOYSA-N 1 0 298.343 -1.475 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCOCC1 ZINC001281255037 780798794 /nfs/dbraw/zinc/79/87/94/780798794.db2.gz MHDCGEIJFCFGKF-NSHDSACASA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[NH2+]CC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCOCC1 ZINC001281255034 780799269 /nfs/dbraw/zinc/79/92/69/780799269.db2.gz MHDCGEIJFCFGKF-LLVKDONJSA-N 1 0 294.355 -1.102 20 30 CAEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001282484025 780819019 /nfs/dbraw/zinc/81/90/19/780819019.db2.gz AOQFMIYEHQWODU-JTQLQIEISA-N 1 0 280.328 -1.002 20 30 CAEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001282463680 780819522 /nfs/dbraw/zinc/81/95/22/780819522.db2.gz BHKGXOROORTHQD-PWSUYJOCSA-N 1 0 296.371 -1.174 20 30 CAEDRO CC(=O)N[C@@H](CS)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001144415667 781454349 /nfs/dbraw/zinc/45/43/49/781454349.db2.gz VCOUYHJOIJPJLK-JTQLQIEISA-N 1 0 289.401 -1.006 20 30 CAEDRO C=CCOCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001281064763 780655038 /nfs/dbraw/zinc/65/50/38/780655038.db2.gz ICTCFASOUGXAKJ-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001191771386 781918191 /nfs/dbraw/zinc/91/81/91/781918191.db2.gz MOQJSFLIVQMOQS-GMTAPVOTSA-N 1 0 258.318 -1.269 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001191697470 781918291 /nfs/dbraw/zinc/91/82/91/781918291.db2.gz MUGCMXNBUUCBNU-IJLUTSLNSA-N 1 0 297.355 -1.371 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001191770189 781918516 /nfs/dbraw/zinc/91/85/16/781918516.db2.gz AFIZVSZBXCCHSS-QJPTWQEYSA-N 1 0 288.344 -1.642 20 30 CAEDRO C#CC[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001054819348 782601756 /nfs/dbraw/zinc/60/17/56/782601756.db2.gz GQDGHEJQMLNSPW-QWRGUYRKSA-N 1 0 277.328 -1.349 20 30 CAEDRO CCCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255313318 782723449 /nfs/dbraw/zinc/72/34/49/782723449.db2.gz KVAPVAWDWVWRQV-IYKVGLELSA-N 1 0 263.334 -1.203 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070262974 782749090 /nfs/dbraw/zinc/74/90/90/782749090.db2.gz VOPKUYRLJRINLA-BDAKNGLRSA-N 1 0 264.289 -1.709 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070157185 782747641 /nfs/dbraw/zinc/74/76/41/782747641.db2.gz MXXKWPUGTNSFFO-AXFHLTTASA-N 1 0 278.316 -1.228 20 30 CAEDRO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070159745 782747981 /nfs/dbraw/zinc/74/79/81/782747981.db2.gz QGPUWNDPEJQTAO-AEJSXWLSSA-N 1 0 291.315 -1.735 20 30 CAEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070159746 782748350 /nfs/dbraw/zinc/74/83/50/782748350.db2.gz QGPUWNDPEJQTAO-BBBLOLIVSA-N 1 0 291.315 -1.735 20 30 CAEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070264408 782749414 /nfs/dbraw/zinc/74/94/14/782749414.db2.gz MFODMCSYEVQWEP-ZJUUUORDSA-N 1 0 278.316 -1.319 20 30 CAEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001070684734 782753292 /nfs/dbraw/zinc/75/32/92/782753292.db2.gz XEKPABRXJHSACQ-NXEZZACHSA-N 1 0 277.328 -1.025 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001070684540 782753654 /nfs/dbraw/zinc/75/36/54/782753654.db2.gz MIGOQSPBPLNXKW-NXEZZACHSA-N 1 0 275.312 -1.577 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439026 782791088 /nfs/dbraw/zinc/79/10/88/782791088.db2.gz HOHXNKJZWFJVDR-NSHDSACASA-N 1 0 297.380 -1.154 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751674 782797609 /nfs/dbraw/zinc/79/76/09/782797609.db2.gz GETDZNIXVYNVJB-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751802 782797664 /nfs/dbraw/zinc/79/76/64/782797664.db2.gz IREREEMGYFTQSE-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001075115629 782815034 /nfs/dbraw/zinc/81/50/34/782815034.db2.gz RKNUAHXMZHMTDD-GARJFASQSA-N 1 0 285.369 -1.110 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665313 782827403 /nfs/dbraw/zinc/82/74/03/782827403.db2.gz FKVSPASCEVQPTE-VHSXEESVSA-N 1 0 268.317 -1.771 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650690 782825020 /nfs/dbraw/zinc/82/50/20/782825020.db2.gz JBILZXLWXBSLPV-NXEZZACHSA-N 1 0 268.317 -1.771 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099637732 782825398 /nfs/dbraw/zinc/82/53/98/782825398.db2.gz ZOQJPPHROIBNOC-RYUDHWBXSA-N 1 0 267.329 -1.303 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099637731 782825534 /nfs/dbraw/zinc/82/55/34/782825534.db2.gz ZOQJPPHROIBNOC-NWDGAFQWSA-N 1 0 267.329 -1.303 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650691 782825941 /nfs/dbraw/zinc/82/59/41/782825941.db2.gz JBILZXLWXBSLPV-UWVGGRQHSA-N 1 0 268.317 -1.771 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650692 782826176 /nfs/dbraw/zinc/82/61/76/782826176.db2.gz JBILZXLWXBSLPV-VHSXEESVSA-N 1 0 268.317 -1.771 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665311 782827027 /nfs/dbraw/zinc/82/70/27/782827027.db2.gz FKVSPASCEVQPTE-NXEZZACHSA-N 1 0 268.317 -1.771 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099738750 782831326 /nfs/dbraw/zinc/83/13/26/782831326.db2.gz SEZKGTNUCTYLJI-GHMZBOCLSA-N 1 0 258.318 -1.267 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757619 782833151 /nfs/dbraw/zinc/83/31/51/782833151.db2.gz HKUNFBMRPBUOOK-NXEZZACHSA-N 1 0 253.302 -1.564 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757621 782833328 /nfs/dbraw/zinc/83/33/28/782833328.db2.gz HKUNFBMRPBUOOK-VHSXEESVSA-N 1 0 253.302 -1.564 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099788134 782834844 /nfs/dbraw/zinc/83/48/44/782834844.db2.gz BSABGTGWJKHMRH-VXGBXAGGSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099788131 782835475 /nfs/dbraw/zinc/83/54/75/782835475.db2.gz BSABGTGWJKHMRH-NEPJUHHUSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC=C)C[C@H]1O ZINC001099789613 782835584 /nfs/dbraw/zinc/83/55/84/782835584.db2.gz OYKBKZNNUUSRNB-VXGBXAGGSA-N 1 0 279.340 -1.137 20 30 CAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760826 782835838 /nfs/dbraw/zinc/83/58/38/782835838.db2.gz ORYVCCLIGHPHHP-UWVGGRQHSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC)C[C@@H]1O ZINC001099788567 782835972 /nfs/dbraw/zinc/83/59/72/782835972.db2.gz GWGHTBBGZYBRMB-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CC(=O)NCC#C)[C@H](O)C1 ZINC001099790086 782836265 /nfs/dbraw/zinc/83/62/65/782836265.db2.gz WZZQOAMJNTUNMH-CHWSQXEVSA-N 1 0 291.351 -1.299 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791735 782837386 /nfs/dbraw/zinc/83/73/86/782837386.db2.gz JVUQOANYGFUMGT-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO CC#CC[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791980 782837550 /nfs/dbraw/zinc/83/75/50/782837550.db2.gz NJTTXSSDDBPOCK-QWRGUYRKSA-N 1 0 267.329 -1.303 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099792742 782838229 /nfs/dbraw/zinc/83/82/29/782838229.db2.gz YUADRJNBJYKKLG-NXEZZACHSA-N 1 0 255.318 -1.140 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099835103 782839428 /nfs/dbraw/zinc/83/94/28/782839428.db2.gz CETXMOWYNPBSAS-OLZOCXBDSA-N 1 0 284.356 -1.040 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099862773 782841570 /nfs/dbraw/zinc/84/15/70/782841570.db2.gz BFGSHPPVXYUBNY-NWDGAFQWSA-N 1 0 299.371 -1.171 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980073 782847606 /nfs/dbraw/zinc/84/76/06/782847606.db2.gz AUOJARIASIHIJO-GHMZBOCLSA-N 1 0 279.340 -1.173 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100047166 782848369 /nfs/dbraw/zinc/84/83/69/782848369.db2.gz YKJKMHKKTAFTKQ-QWRGUYRKSA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100047165 782848505 /nfs/dbraw/zinc/84/85/05/782848505.db2.gz YKJKMHKKTAFTKQ-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100104320 782850400 /nfs/dbraw/zinc/85/04/00/782850400.db2.gz ZREJHAXDKTYOFR-VHSXEESVSA-N 1 0 270.333 -1.218 20 30 CAEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100116162 782853636 /nfs/dbraw/zinc/85/36/36/782853636.db2.gz NMIGUBOWVMRJRP-ZJUUUORDSA-N 1 0 291.373 -1.727 20 30 CAEDRO C[C@H](C#N)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100191681 782854745 /nfs/dbraw/zinc/85/47/45/782854745.db2.gz TWJYLWYPDFCTAM-AFPNSQJFSA-N 1 0 281.316 -1.175 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100263074 782854846 /nfs/dbraw/zinc/85/48/46/782854846.db2.gz UAJJLMYXCOLZHR-KPPDAEKUSA-N 1 0 294.355 -1.516 20 30 CAEDRO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC(=O)NC)C1 ZINC001100276513 782855509 /nfs/dbraw/zinc/85/55/09/782855509.db2.gz MDDONTGSDVAAGV-UHFFFAOYSA-N 1 0 296.371 -1.091 20 30 CAEDRO CNC(=O)CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100276465 782856014 /nfs/dbraw/zinc/85/60/14/782856014.db2.gz JLXTYKFUWNLACO-UHFFFAOYSA-N 1 0 295.343 -1.753 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628383 782860579 /nfs/dbraw/zinc/86/05/79/782860579.db2.gz GJSABJZWPUHPMK-IDKOKCKLSA-N 1 0 282.344 -1.353 20 30 CAEDRO COCC#CC[NH2+]C1CC(CNC(=O)Cn2ncnn2)C1 ZINC001100337388 782856601 /nfs/dbraw/zinc/85/66/01/782856601.db2.gz WSLHRTZDXHKBNO-UHFFFAOYSA-N 1 0 292.343 -1.193 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001100411725 782857679 /nfs/dbraw/zinc/85/76/79/782857679.db2.gz PYDMXJJDYLTWNR-UHFFFAOYSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001100461101 782857841 /nfs/dbraw/zinc/85/78/41/782857841.db2.gz KVKNLSHOEZLQTJ-UHFFFAOYSA-N 1 0 292.383 -1.122 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001100475509 782858269 /nfs/dbraw/zinc/85/82/69/782858269.db2.gz WGQITYIZPCKBLZ-UHFFFAOYSA-N 1 0 291.315 -1.458 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001100415377 782858629 /nfs/dbraw/zinc/85/86/29/782858629.db2.gz NKHMXZICIRYHMV-RTBKNWGFSA-N 1 0 278.312 -1.298 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]C2CC(CNC(=O)C(N)=O)C2)C1=O ZINC001100627928 782860123 /nfs/dbraw/zinc/86/01/23/782860123.db2.gz RWEFULITPKUYBP-VQXHTEKXSA-N 1 0 294.355 -1.257 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001100865022 782862554 /nfs/dbraw/zinc/86/25/54/782862554.db2.gz KWVGJDZQVYZGTR-UHFFFAOYSA-N 1 0 292.339 -1.002 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001100960702 782862864 /nfs/dbraw/zinc/86/28/64/782862864.db2.gz OPVNXWUKYVUEDI-UHFFFAOYSA-N 1 0 292.339 -1.002 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101346846 782864589 /nfs/dbraw/zinc/86/45/89/782864589.db2.gz KCMPFBSHXQIDGD-RISCZKNCSA-N 1 0 279.340 -1.098 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101979005 782869947 /nfs/dbraw/zinc/86/99/47/782869947.db2.gz JFSDAJRJRRJLGQ-GHMZBOCLSA-N 1 0 262.317 -1.010 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC001102472544 782871724 /nfs/dbraw/zinc/87/17/24/782871724.db2.gz ITRANBLQKBSLEE-GHMZBOCLSA-N 1 0 292.339 -1.145 20 30 CAEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103390342 782874884 /nfs/dbraw/zinc/87/48/84/782874884.db2.gz PWKURCSNIGBSQP-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115185003 782879617 /nfs/dbraw/zinc/87/96/17/782879617.db2.gz WBXMVEUEHKTOCZ-IAZYJMLFSA-N 1 0 285.369 -1.443 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115250344 782881122 /nfs/dbraw/zinc/88/11/22/782881122.db2.gz VGFRYVXCLCUUDR-IAZYJMLFSA-N 1 0 285.369 -1.395 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115249627 782881143 /nfs/dbraw/zinc/88/11/43/782881143.db2.gz IZUHUUTXAHWKAA-JZYVYDRUSA-N 1 0 271.342 -1.785 20 30 CAEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001115219245 782881157 /nfs/dbraw/zinc/88/11/57/782881157.db2.gz UJLAMBGEHOYSAE-KLBPJQLPSA-N 1 0 290.323 -1.346 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001116403192 782896416 /nfs/dbraw/zinc/89/64/16/782896416.db2.gz HQIATIWIGNRHEQ-VIFPVBQESA-N 1 0 278.312 -1.202 20 30 CAEDRO C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001266272382 775102936 /nfs/dbraw/zinc/10/29/36/775102936.db2.gz UTHPQYYJYDQZQG-UWVGGRQHSA-N 1 0 298.343 -1.167 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)c1cn(C)nn1 ZINC001266271006 775103041 /nfs/dbraw/zinc/10/30/41/775103041.db2.gz FHHVJOMZUAHXTF-UHFFFAOYSA-N 1 0 278.316 -1.774 20 30 CAEDRO C=CCOCC[NH+]1CCN(CCCNC(=O)C(N)=O)CC1 ZINC001266271734 775103074 /nfs/dbraw/zinc/10/30/74/775103074.db2.gz QDRHUPRECUUVPH-UHFFFAOYSA-N 1 0 298.387 -1.202 20 30 CAEDRO C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001266272383 775103288 /nfs/dbraw/zinc/10/32/88/775103288.db2.gz UTHPQYYJYDQZQG-VHSXEESVSA-N 1 0 298.343 -1.167 20 30 CAEDRO N#CCN1CCN(CCCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001266269745 775103337 /nfs/dbraw/zinc/10/33/37/775103337.db2.gz OUQBUMKNNJBFSJ-LBPRGKRZSA-N 1 0 293.371 -1.230 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001266271008 775103380 /nfs/dbraw/zinc/10/33/80/775103380.db2.gz FIIJIRFYDLETGF-SECBINFHSA-N 1 0 282.300 -2.108 20 30 CAEDRO C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001266271009 775103440 /nfs/dbraw/zinc/10/34/40/775103440.db2.gz FIIJIRFYDLETGF-VIFPVBQESA-N 1 0 282.300 -2.108 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCN(C)[C@H]1CCC(=O)NC1=O ZINC001266275381 775103589 /nfs/dbraw/zinc/10/35/89/775103589.db2.gz XRWJJVSDRBHMCK-MNOVXSKESA-N 1 0 295.339 -1.122 20 30 CAEDRO COCC#CC[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001266306526 775112982 /nfs/dbraw/zinc/11/29/82/775112982.db2.gz VPCUWERNEKVIEE-UHFFFAOYSA-N 1 0 296.371 -1.884 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266333154 775117118 /nfs/dbraw/zinc/11/71/18/775117118.db2.gz HGEDTMOVDAYZFQ-JTQLQIEISA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266333155 775117164 /nfs/dbraw/zinc/11/71/64/775117164.db2.gz HGEDTMOVDAYZFQ-SNVBAGLBSA-N 1 0 288.373 -1.746 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001266345407 775118632 /nfs/dbraw/zinc/11/86/32/775118632.db2.gz STNOPMQHLCYDAH-JTQLQIEISA-N 1 0 288.373 -1.794 20 30 CAEDRO C#CC[N@H+](C)CCNC(=O)CCCN1C(=O)CNC1=O ZINC001266357817 775123327 /nfs/dbraw/zinc/12/33/27/775123327.db2.gz GTMFBRFONWERBA-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO CNS(=O)(=O)CC(=O)NCC[N@H+](C)CC#CCOC ZINC001266360221 775123450 /nfs/dbraw/zinc/12/34/50/775123450.db2.gz TWDUBUVTTJLLDQ-UHFFFAOYSA-N 1 0 291.373 -1.767 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NCCN(C)CC(N)=O)CC1 ZINC001266362408 775123645 /nfs/dbraw/zinc/12/36/45/775123645.db2.gz HERPEBDSYZIGDY-UHFFFAOYSA-N 1 0 280.372 -1.135 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001266354760 775124251 /nfs/dbraw/zinc/12/42/51/775124251.db2.gz MNNHLJVCPWPTDK-UHFFFAOYSA-N 1 0 261.347 -1.441 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)NC(C)=O ZINC001167177689 775129474 /nfs/dbraw/zinc/12/94/74/775129474.db2.gz ZSLVWHJZCOQUOG-GFCCVEGCSA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001266414479 775129663 /nfs/dbraw/zinc/12/96/63/775129663.db2.gz CWPXCLCEONYCDM-LLVKDONJSA-N 1 0 277.328 -1.301 20 30 CAEDRO CC[C@H](NC(C)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167176117 775129797 /nfs/dbraw/zinc/12/97/97/775129797.db2.gz DQNDSDWYPGIXCF-NSHDSACASA-N 1 0 297.359 -1.363 20 30 CAEDRO C#CCNC(=O)CN1CCC[C@H]1CNC(=O)COC ZINC001266442588 775132058 /nfs/dbraw/zinc/13/20/58/775132058.db2.gz GHLHKRXNONXRPF-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266468397 775134590 /nfs/dbraw/zinc/13/45/90/775134590.db2.gz PNDKASPGYWVCHI-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)C(N)=O ZINC001266479808 775134870 /nfs/dbraw/zinc/13/48/70/775134870.db2.gz DJTPGPHVFPDBLA-SECBINFHSA-N 1 0 266.301 -2.198 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125369995 775137617 /nfs/dbraw/zinc/13/76/17/775137617.db2.gz FIOVCUQCPZNZLP-UHFFFAOYSA-N 1 0 273.296 -1.045 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001266514187 775139540 /nfs/dbraw/zinc/13/95/40/775139540.db2.gz NIANWTZZNPXNQR-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001266531358 775141316 /nfs/dbraw/zinc/14/13/16/775141316.db2.gz YWUJIWMXBVXEEK-JTQLQIEISA-N 1 0 295.343 -2.145 20 30 CAEDRO N#CCSCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001266576838 775146402 /nfs/dbraw/zinc/14/64/02/775146402.db2.gz XHGUFRDMGJVHOQ-ZKCHVHJHSA-N 1 0 256.331 -1.035 20 30 CAEDRO CC#CC[NH2+][C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001266567711 775146695 /nfs/dbraw/zinc/14/66/95/775146695.db2.gz PBYKCZBAELODHX-JTQLQIEISA-N 1 0 290.327 -1.409 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125420011 775147350 /nfs/dbraw/zinc/14/73/50/775147350.db2.gz XDRINDIOFKWDKF-SNVBAGLBSA-N 1 0 292.343 -1.419 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266593305 775149496 /nfs/dbraw/zinc/14/94/96/775149496.db2.gz DTTTUUMMXIAPHW-MGCOHNPYSA-N 1 0 290.327 -1.363 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266607861 775150383 /nfs/dbraw/zinc/15/03/83/775150383.db2.gz MRLIGBPLPDKTRQ-MGCOHNPYSA-N 1 0 288.373 -1.700 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388446 775150931 /nfs/dbraw/zinc/15/09/31/775150931.db2.gz PXTMPNGKOROEND-VIFPVBQESA-N 1 0 266.301 -1.296 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CS(=O)(=O)CCOC)C1 ZINC001266602237 775151011 /nfs/dbraw/zinc/15/10/11/775151011.db2.gz YROBTBFXTCNHJP-XYPYZODXSA-N 1 0 288.369 -1.082 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388859 775151343 /nfs/dbraw/zinc/15/13/43/775151343.db2.gz ZMBPXSYASIXPEH-VIFPVBQESA-N 1 0 266.301 -1.296 20 30 CAEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001266610279 775152987 /nfs/dbraw/zinc/15/29/87/775152987.db2.gz PSBGOPWCCCSBLB-HAQNSBGRSA-N 1 0 278.356 -1.322 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001266626571 775154466 /nfs/dbraw/zinc/15/44/66/775154466.db2.gz OQHAPVIPHMPVNG-MGCOHNPYSA-N 1 0 292.343 -1.032 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C1=COCCO1 ZINC001266634294 775155307 /nfs/dbraw/zinc/15/53/07/775155307.db2.gz MIGOAJOYKUTORQ-UHFFFAOYSA-N 1 0 282.300 -1.438 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CNS(=O)(=O)N(C)C ZINC001167421744 775155386 /nfs/dbraw/zinc/15/53/86/775155386.db2.gz FEQAJUHYHLSRHF-UHFFFAOYSA-N 1 0 290.389 -1.498 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001266619894 775155470 /nfs/dbraw/zinc/15/54/70/775155470.db2.gz DVFKGKOPQMLUSZ-SRVKXCTJSA-N 1 0 297.355 -1.366 20 30 CAEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001266638100 775157272 /nfs/dbraw/zinc/15/72/72/775157272.db2.gz HWNGTLMYVNYBBK-KYZUINATSA-N 1 0 261.347 -1.042 20 30 CAEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001266636729 775157347 /nfs/dbraw/zinc/15/73/47/775157347.db2.gz RKWUSTCXCHVUAZ-MGCOHNPYSA-N 1 0 278.312 -1.202 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CN(C)CCO1 ZINC001266666706 775158471 /nfs/dbraw/zinc/15/84/71/775158471.db2.gz AJIGCDROKRATSQ-NSHDSACASA-N 1 0 297.359 -1.995 20 30 CAEDRO CCC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266660100 775159429 /nfs/dbraw/zinc/15/94/29/775159429.db2.gz JXZWZYGDPNHNSH-UHFFFAOYSA-N 1 0 283.332 -1.800 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cocn1 ZINC001266657294 775159452 /nfs/dbraw/zinc/15/94/52/775159452.db2.gz TWMLJLTVVULXLX-UHFFFAOYSA-N 1 0 265.273 -1.024 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001266665052 775159660 /nfs/dbraw/zinc/15/96/60/775159660.db2.gz CEGCYJNRCXPHLP-AOOOYVTPSA-N 1 0 291.315 -2.341 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001266674446 775160604 /nfs/dbraw/zinc/16/06/04/775160604.db2.gz XZAZTWLHNSLEQT-AOOOYVTPSA-N 1 0 253.302 -1.252 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)CCNC(=O)NC ZINC001266690301 775161518 /nfs/dbraw/zinc/16/15/18/775161518.db2.gz SJLIZAPIFJBRRP-UHFFFAOYSA-N 1 0 297.359 -1.897 20 30 CAEDRO CCn1nncc1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266691975 775161819 /nfs/dbraw/zinc/16/18/19/775161819.db2.gz BWGFLMUNJPHXGR-UHFFFAOYSA-N 1 0 293.331 -1.401 20 30 CAEDRO CNC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266690587 775161971 /nfs/dbraw/zinc/16/19/71/775161971.db2.gz LWCMWAHHFHXRFV-DTORHVGOSA-N 1 0 296.331 -2.208 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001266711044 775165753 /nfs/dbraw/zinc/16/57/53/775165753.db2.gz JUYOJXKLXBWLFL-KNVOCYPGSA-N 1 0 253.262 -2.652 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001266730156 775166308 /nfs/dbraw/zinc/16/63/08/775166308.db2.gz NJMHNBXFWDDTLT-AOOOYVTPSA-N 1 0 291.315 -1.845 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001266721621 775166581 /nfs/dbraw/zinc/16/65/81/775166581.db2.gz YPLIMCNTSXDQBF-PHIMTYICSA-N 1 0 289.339 -1.062 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001266718857 775166733 /nfs/dbraw/zinc/16/67/33/775166733.db2.gz HCRRCKAPXBADRM-BBBLOLIVSA-N 1 0 290.327 -1.207 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266760499 775168868 /nfs/dbraw/zinc/16/88/68/775168868.db2.gz HKJPPPVNKUHWTR-JTQLQIEISA-N 1 0 280.328 -1.951 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001266760583 775168906 /nfs/dbraw/zinc/16/89/06/775168906.db2.gz IROUECDZYVGDSO-LLVKDONJSA-N 1 0 267.329 -1.050 20 30 CAEDRO COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266760584 775168934 /nfs/dbraw/zinc/16/89/34/775168934.db2.gz IROUECDZYVGDSO-NSHDSACASA-N 1 0 267.329 -1.050 20 30 CAEDRO CNC(NCCS(=O)(=O)N1CCOCC1)=[NH+]C ZINC000076105567 775170991 /nfs/dbraw/zinc/17/09/91/775170991.db2.gz ZHSUQFVEOMUMIX-UHFFFAOYSA-N 1 0 264.351 -1.557 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001266822207 775175044 /nfs/dbraw/zinc/17/50/44/775175044.db2.gz PVUXDQKSPFNJPN-SECBINFHSA-N 1 0 281.316 -2.535 20 30 CAEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001266822379 775175432 /nfs/dbraw/zinc/17/54/32/775175432.db2.gz VMBXRQACEXFUPL-JTQLQIEISA-N 1 0 268.317 -1.634 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1ccnnc1 ZINC001266845801 775176350 /nfs/dbraw/zinc/17/63/50/775176350.db2.gz MGHUAWIWGQHKDF-UHFFFAOYSA-N 1 0 276.300 -1.222 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001266836764 775176387 /nfs/dbraw/zinc/17/63/87/775176387.db2.gz XDIRTBITYGRSJP-ZJUUUORDSA-N 1 0 282.344 -1.542 20 30 CAEDRO Cc1cc(CC(=O)NCC[NH2+]CC(=O)NCC#N)n[nH]1 ZINC001125542831 775178148 /nfs/dbraw/zinc/17/81/48/775178148.db2.gz XORSITXMLGREPK-UHFFFAOYSA-N 1 0 278.316 -1.394 20 30 CAEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(N)=O)C1 ZINC001266894655 775182000 /nfs/dbraw/zinc/18/20/00/775182000.db2.gz JEGASJBDVDAPRN-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001266900215 775182411 /nfs/dbraw/zinc/18/24/11/775182411.db2.gz REJRMHMZEGZREG-RWHSBRQSSA-N 1 0 290.323 -1.002 20 30 CAEDRO CO[C@@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266928020 775184136 /nfs/dbraw/zinc/18/41/36/775184136.db2.gz YRDMEWSFMQOHSM-IUCAKERBSA-N 1 0 256.306 -1.245 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cnnn1 ZINC001266921153 775184417 /nfs/dbraw/zinc/18/44/17/775184417.db2.gz DXVXNTRJSOTSNP-VIFPVBQESA-N 1 0 281.320 -1.930 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)OC ZINC001266925304 775185121 /nfs/dbraw/zinc/18/51/21/775185121.db2.gz HARWVQZVWRCXJE-VHSXEESVSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)n1cncn1 ZINC001266933933 775185988 /nfs/dbraw/zinc/18/59/88/775185988.db2.gz RXJIMNBFYKBXLW-GHMZBOCLSA-N 1 0 292.343 -1.317 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1CCOCC1=O ZINC001266944012 775186579 /nfs/dbraw/zinc/18/65/79/775186579.db2.gz FMNVUEFRBNLQAF-SNVBAGLBSA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ncn(C)n1 ZINC001266936885 775186623 /nfs/dbraw/zinc/18/66/23/775186623.db2.gz YNVNQMZDJIXCOU-VIFPVBQESA-N 1 0 278.316 -1.728 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cncnc1 ZINC001266932852 775186636 /nfs/dbraw/zinc/18/66/36/775186636.db2.gz KMCFNQIAAORVCN-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C[C@H](CNC(=O)c1cn(C)cn1)[NH2+]CC(=O)NCC#N ZINC001266932928 775186737 /nfs/dbraw/zinc/18/67/37/775186737.db2.gz JZWLGPVCWGXOMF-SECBINFHSA-N 1 0 278.316 -1.232 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1ncnn1 ZINC001266939483 775186810 /nfs/dbraw/zinc/18/68/10/775186810.db2.gz JBOLHCDEDVYPKV-ZJUUUORDSA-N 1 0 293.331 -2.095 20 30 CAEDRO C[C@@H](CNC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001266951728 775187331 /nfs/dbraw/zinc/18/73/31/775187331.db2.gz WXVRHBQNEVLJSI-QMMMGPOBSA-N 1 0 283.332 -1.768 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001266949454 775187650 /nfs/dbraw/zinc/18/76/50/775187650.db2.gz OTVOMSQMSQTRKV-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266962158 775187685 /nfs/dbraw/zinc/18/76/85/775187685.db2.gz OUUXOUMSVOBHLY-BDAKNGLRSA-N 1 0 283.332 -1.768 20 30 CAEDRO C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)[NH2+]CC(=O)NCC#N ZINC001266946963 775187790 /nfs/dbraw/zinc/18/77/90/775187790.db2.gz YAPIPQZEBZOLNV-QMMMGPOBSA-N 1 0 292.299 -1.470 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]CC(=O)NCC#N ZINC001266948215 775187965 /nfs/dbraw/zinc/18/79/65/775187965.db2.gz HLICAHJPJWGIBD-VHSXEESVSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](CNC(=O)c1cncn1C)[NH2+]CC(=O)NCC#N ZINC001266951412 775188041 /nfs/dbraw/zinc/18/80/41/775188041.db2.gz SXMJDELKVWNDQB-VIFPVBQESA-N 1 0 278.316 -1.232 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001266949449 775188133 /nfs/dbraw/zinc/18/81/33/775188133.db2.gz OTVOMSQMSQTRKV-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO C[C@H](CNC(=O)c1cncn1C)[NH2+]CC(=O)NCC#N ZINC001266951411 775188438 /nfs/dbraw/zinc/18/84/38/775188438.db2.gz SXMJDELKVWNDQB-SECBINFHSA-N 1 0 278.316 -1.232 20 30 CAEDRO C=CC[NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001266961545 775188455 /nfs/dbraw/zinc/18/84/55/775188455.db2.gz KHZFXJWCFQZMBL-JTQLQIEISA-N 1 0 254.334 -1.302 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001266961546 775188480 /nfs/dbraw/zinc/18/84/80/775188480.db2.gz KHZFXJWCFQZMBL-SNVBAGLBSA-N 1 0 254.334 -1.302 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001266970895 775189763 /nfs/dbraw/zinc/18/97/63/775189763.db2.gz OYWIWAXKSJMBPM-ZETCQYMHSA-N 1 0 285.329 -1.602 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C(N)=O)C1=O ZINC001266968340 775189904 /nfs/dbraw/zinc/18/99/04/775189904.db2.gz UITJVEDTVXSWSM-IUCAKERBSA-N 1 0 268.317 -1.647 20 30 CAEDRO C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]CC(=O)NCC#N ZINC001266964306 775190070 /nfs/dbraw/zinc/19/00/70/775190070.db2.gz LYPOTZBPTQQXDA-UWVGGRQHSA-N 1 0 295.343 -1.801 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001266970894 775190093 /nfs/dbraw/zinc/19/00/93/775190093.db2.gz OYWIWAXKSJMBPM-SSDOTTSWSA-N 1 0 285.329 -1.602 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985100 775190973 /nfs/dbraw/zinc/19/09/73/775190973.db2.gz GTUJQFGLXBDPCL-SECBINFHSA-N 1 0 266.301 -1.392 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001266984107 775191428 /nfs/dbraw/zinc/19/14/28/775191428.db2.gz VGEOJJZKBMNASV-VHSXEESVSA-N 1 0 292.343 -1.421 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001266974469 775191851 /nfs/dbraw/zinc/19/18/51/775191851.db2.gz FDKBZCBUNPSXGT-VIFPVBQESA-N 1 0 278.312 -1.575 20 30 CAEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266985104 775192083 /nfs/dbraw/zinc/19/20/83/775192083.db2.gz GTUJQFGLXBDPCL-VIFPVBQESA-N 1 0 266.301 -1.392 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001266994437 775192809 /nfs/dbraw/zinc/19/28/09/775192809.db2.gz NHVQJDZKVYOBAO-SECBINFHSA-N 1 0 299.375 -1.170 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001267005632 775193470 /nfs/dbraw/zinc/19/34/70/775193470.db2.gz OJFHGVSRPZJFRD-NSHDSACASA-N 1 0 288.369 -1.129 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001267004647 775193619 /nfs/dbraw/zinc/19/36/19/775193619.db2.gz SELNLTXKQYBIQN-JTQLQIEISA-N 1 0 276.300 -1.146 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001267003374 775193650 /nfs/dbraw/zinc/19/36/50/775193650.db2.gz KAWSAFFSDADAJK-JTQLQIEISA-N 1 0 288.311 -1.080 20 30 CAEDRO C#CC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001266995112 775193999 /nfs/dbraw/zinc/19/39/99/775193999.db2.gz XEHNLCQCOBEEBA-MRVPVSSYSA-N 1 0 264.285 -1.173 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001266995167 775194020 /nfs/dbraw/zinc/19/40/20/775194020.db2.gz CKIMRPCRXFAGMU-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001267009820 775195178 /nfs/dbraw/zinc/19/51/78/775195178.db2.gz WVYIPDKZYCIZBL-NSHDSACASA-N 1 0 278.316 -1.487 20 30 CAEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267015500 775195309 /nfs/dbraw/zinc/19/53/09/775195309.db2.gz CJHDJYOHBAZZMW-JTQLQIEISA-N 1 0 290.389 -1.193 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001267016919 775195358 /nfs/dbraw/zinc/19/53/58/775195358.db2.gz OCSQZVZDOVNAIS-CIQGVGRVSA-N 1 0 291.351 -1.181 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001267021706 775195734 /nfs/dbraw/zinc/19/57/34/775195734.db2.gz SCEGEMUQQRHSFE-NSHDSACASA-N 1 0 289.339 -1.108 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001267039421 775197410 /nfs/dbraw/zinc/19/74/10/775197410.db2.gz RLOATEMDBVGGRO-NSHDSACASA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)Cn1ncn2nccc2c1=O ZINC001167541873 775200079 /nfs/dbraw/zinc/20/00/79/775200079.db2.gz GHEQJMLHRXHCNO-UHFFFAOYSA-N 1 0 288.311 -1.380 20 30 CAEDRO Cc1nccn1CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267081744 775200462 /nfs/dbraw/zinc/20/04/62/775200462.db2.gz RAYAVUWLKAJPQV-UHFFFAOYSA-N 1 0 292.343 -1.121 20 30 CAEDRO COCC(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001267117021 775202005 /nfs/dbraw/zinc/20/20/05/775202005.db2.gz NVODQJXFEBISNG-SECBINFHSA-N 1 0 256.306 -1.243 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001167567606 775202282 /nfs/dbraw/zinc/20/22/82/775202282.db2.gz HYKFABGBGTZDOW-UHFFFAOYSA-N 1 0 282.300 -1.311 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001167549345 775202530 /nfs/dbraw/zinc/20/25/30/775202530.db2.gz IEGHOMDHBXBKRZ-UHFFFAOYSA-N 1 0 280.328 -1.021 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc[nH]c(=O)c1 ZINC001125605136 775203530 /nfs/dbraw/zinc/20/35/30/775203530.db2.gz NKDMULGHKXUSQC-UHFFFAOYSA-N 1 0 276.296 -1.144 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1ncnn1 ZINC001267129353 775203875 /nfs/dbraw/zinc/20/38/75/775203875.db2.gz NYEUDLQSHJWRIG-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C[C@H](CCNC(=O)Cn1ncnn1)[NH2+]CC(=O)NCC#N ZINC001267129870 775204184 /nfs/dbraw/zinc/20/41/84/775204184.db2.gz YAFAIHGDWVNOQN-SECBINFHSA-N 1 0 294.319 -2.203 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc[nH]c(=O)c1 ZINC001125604610 775204251 /nfs/dbraw/zinc/20/42/51/775204251.db2.gz GYLLDCXGPXNHAX-UHFFFAOYSA-N 1 0 277.284 -1.254 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1COCCO1 ZINC001267121878 775204355 /nfs/dbraw/zinc/20/43/55/775204355.db2.gz NBZIBTFWZLKGCE-NWDGAFQWSA-N 1 0 297.355 -1.364 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001267139677 775204404 /nfs/dbraw/zinc/20/44/04/775204404.db2.gz LDDPGOCPPPVNAT-NSHDSACASA-N 1 0 266.345 -1.464 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1nnc[nH]1 ZINC001267148040 775205070 /nfs/dbraw/zinc/20/50/70/775205070.db2.gz OAOHJNYHOPLURB-SECBINFHSA-N 1 0 278.316 -1.348 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1nnc[nH]1 ZINC001267148043 775205261 /nfs/dbraw/zinc/20/52/61/775205261.db2.gz OAOHJNYHOPLURB-VIFPVBQESA-N 1 0 278.316 -1.348 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001267153563 775205656 /nfs/dbraw/zinc/20/56/56/775205656.db2.gz LLMNJQZSLGFXRS-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001267156043 775205858 /nfs/dbraw/zinc/20/58/58/775205858.db2.gz XVCJWCIBEMFRKN-VHSXEESVSA-N 1 0 273.358 -1.204 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615726 775206135 /nfs/dbraw/zinc/20/61/35/775206135.db2.gz SBDKUSNVLOTGQM-JTQLQIEISA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001267159207 775206388 /nfs/dbraw/zinc/20/63/88/775206388.db2.gz WTXGQFRCPYUZMN-SNVBAGLBSA-N 1 0 280.328 -1.002 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615721 775206557 /nfs/dbraw/zinc/20/65/57/775206557.db2.gz RYCIWFTUJRBVCB-VIFPVBQESA-N 1 0 281.316 -2.142 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125624974 775208716 /nfs/dbraw/zinc/20/87/16/775208716.db2.gz MKIZQGVYKUCGFC-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125624973 775208894 /nfs/dbraw/zinc/20/88/94/775208894.db2.gz MKIZQGVYKUCGFC-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CC[N@@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001267195839 775212083 /nfs/dbraw/zinc/21/20/83/775212083.db2.gz QBZIKXXDOVIXFT-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO CC#CC[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001267199869 775212740 /nfs/dbraw/zinc/21/27/40/775212740.db2.gz XNFUHURBEGPVDB-VIFPVBQESA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCC[N@@H+](C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001267219180 775218135 /nfs/dbraw/zinc/21/81/35/775218135.db2.gz NVDVSOFNBGTFLY-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)CCNS(C)(=O)=O ZINC001267242420 775220169 /nfs/dbraw/zinc/22/01/69/775220169.db2.gz KIIDXPLZJTYVIE-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CC[N@H+](CC)CCNC(=O)Cn1ncn(C)c1=O ZINC001267245406 775220246 /nfs/dbraw/zinc/22/02/46/775220246.db2.gz GXACLTNHGFQINZ-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C=CCOCC(=O)NC[C@@H]1CCCN1CC(=O)NC(N)=O ZINC001267263721 775220969 /nfs/dbraw/zinc/22/09/69/775220969.db2.gz LXUOCFXZAKPRSG-JTQLQIEISA-N 1 0 298.343 -1.036 20 30 CAEDRO C#CC[NH2+]CC(=O)NC(C)(C)CNS(C)(=O)=O ZINC000708327729 775222870 /nfs/dbraw/zinc/22/28/70/775222870.db2.gz VFACRFHBSUKVLX-UHFFFAOYSA-N 1 0 261.347 -1.347 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125676860 775222942 /nfs/dbraw/zinc/22/29/42/775222942.db2.gz WHCCWRYZECFCJO-VIFPVBQESA-N 1 0 282.300 -1.715 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125676033 775224081 /nfs/dbraw/zinc/22/40/81/775224081.db2.gz LYLJEZOGXGYFDA-JTQLQIEISA-N 1 0 283.328 -1.052 20 30 CAEDRO C#CC[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001267296014 775227154 /nfs/dbraw/zinc/22/71/54/775227154.db2.gz FSGBGUNPAADHBZ-GFCCVEGCSA-N 1 0 279.340 -1.084 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125695424 775230524 /nfs/dbraw/zinc/23/05/24/775230524.db2.gz MGBPYHIPAZURMG-WDEREUQCSA-N 1 0 295.339 -1.217 20 30 CAEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CN1CCCC1=O ZINC001267344177 775232004 /nfs/dbraw/zinc/23/20/04/775232004.db2.gz RFHSCMNCWOVFTP-UHFFFAOYSA-N 1 0 295.343 -1.703 20 30 CAEDRO COC(=O)NCC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267350428 775232671 /nfs/dbraw/zinc/23/26/71/775232671.db2.gz UZVYJEVKPFNCRO-UHFFFAOYSA-N 1 0 285.304 -1.970 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cnn(C)c1 ZINC001267344323 775233134 /nfs/dbraw/zinc/23/31/34/775233134.db2.gz VKKRRYIOHJVEDG-UHFFFAOYSA-N 1 0 277.328 -1.169 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)n1cncn1 ZINC001267364338 775235150 /nfs/dbraw/zinc/23/51/50/775235150.db2.gz AQZASYIOMHZUGC-LLVKDONJSA-N 1 0 292.343 -1.364 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCO1 ZINC001125716829 775236169 /nfs/dbraw/zinc/23/61/69/775236169.db2.gz GGRCRFHPCPECNR-JTQLQIEISA-N 1 0 268.317 -1.099 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001267368231 775237461 /nfs/dbraw/zinc/23/74/61/775237461.db2.gz WRCMCVHEOFHEPV-SECBINFHSA-N 1 0 282.300 -2.108 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001267383019 775239538 /nfs/dbraw/zinc/23/95/38/775239538.db2.gz CMHRIBGCMVALOS-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N ZINC001279673076 775240711 /nfs/dbraw/zinc/24/07/11/775240711.db2.gz PLAWASMUZBSHGK-RYUDHWBXSA-N 1 0 294.355 -1.306 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125776488 775246888 /nfs/dbraw/zinc/24/68/88/775246888.db2.gz PJWGSNMLQHIHIV-UHFFFAOYSA-N 1 0 273.296 -1.045 20 30 CAEDRO N#Cc1ccc(C(=O)N(CCO)CC[NH2+]CC(N)=O)[nH]1 ZINC001279694768 775253960 /nfs/dbraw/zinc/25/39/60/775253960.db2.gz CRDHVPKHUMMWGZ-UHFFFAOYSA-N 1 0 279.300 -1.604 20 30 CAEDRO C=CC[NH+]1CCN(CCN(C)C(=O)C(N)=O)CC1 ZINC001267574579 775258131 /nfs/dbraw/zinc/25/81/31/775258131.db2.gz MHCGEPYWNAUUSZ-UHFFFAOYSA-N 1 0 254.334 -1.266 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001167703617 775259511 /nfs/dbraw/zinc/25/95/11/775259511.db2.gz ATQZVZOTJUDAKR-JTQLQIEISA-N 1 0 268.317 -1.904 20 30 CAEDRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104614841 775262677 /nfs/dbraw/zinc/26/26/77/775262677.db2.gz TXVJJTVTYZACPP-NXEZZACHSA-N 1 0 295.343 -1.814 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218518513 775272387 /nfs/dbraw/zinc/27/23/87/775272387.db2.gz QZXFUWYLTPFFJB-LURJTMIESA-N 1 0 283.292 -1.478 20 30 CAEDRO N#Cc1nc[nH]c1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218594148 775275084 /nfs/dbraw/zinc/27/50/84/775275084.db2.gz HOTKAYGKDJMOCG-QMMMGPOBSA-N 1 0 262.273 -1.450 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC1 ZINC001283725266 775277695 /nfs/dbraw/zinc/27/76/95/775277695.db2.gz VMONGOBTUIYICF-JTQLQIEISA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC1 ZINC001283725267 775278558 /nfs/dbraw/zinc/27/85/58/775278558.db2.gz VMONGOBTUIYICF-SNVBAGLBSA-N 1 0 253.302 -1.788 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001283742522 775283166 /nfs/dbraw/zinc/28/31/66/775283166.db2.gz JTNKGDMGUJMDQB-LLVKDONJSA-N 1 0 295.343 -1.546 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001283742523 775283206 /nfs/dbraw/zinc/28/32/06/775283206.db2.gz JTNKGDMGUJMDQB-NSHDSACASA-N 1 0 295.343 -1.546 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001283742644 775283606 /nfs/dbraw/zinc/28/36/06/775283606.db2.gz LEEUKVLOAKKWGQ-JTQLQIEISA-N 1 0 265.317 -1.173 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001283742645 775284093 /nfs/dbraw/zinc/28/40/93/775284093.db2.gz LEEUKVLOAKKWGQ-SNVBAGLBSA-N 1 0 265.317 -1.173 20 30 CAEDRO C=CCOCC[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001267682454 775284307 /nfs/dbraw/zinc/28/43/07/775284307.db2.gz XWSRGYLUQQMUMX-UHFFFAOYSA-N 1 0 280.332 -1.076 20 30 CAEDRO C=CCC[NH+]1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001267685262 775285618 /nfs/dbraw/zinc/28/56/18/775285618.db2.gz CNDMPYGKOZWEAK-UHFFFAOYSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCC[NH+]1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001267693742 775286092 /nfs/dbraw/zinc/28/60/92/775286092.db2.gz OWDGEQHSXJHHSG-JTQLQIEISA-N 1 0 287.385 -1.005 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)COC(C)(C)C ZINC001283745381 775287249 /nfs/dbraw/zinc/28/72/49/775287249.db2.gz QGZSHBOLIXLPLH-NSHDSACASA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccn(C)c1 ZINC001283745847 775287684 /nfs/dbraw/zinc/28/76/84/775287684.db2.gz UGOIRXDNNPMDFA-LBPRGKRZSA-N 1 0 292.339 -1.545 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2cnon2)C1 ZINC001100770999 775289686 /nfs/dbraw/zinc/28/96/86/775289686.db2.gz UCXQKAGGKAGNIF-UHFFFAOYSA-N 1 0 291.311 -1.083 20 30 CAEDRO CCOC(=O)CO/N=C(\C(=O)NCC[NH3+])c1cc[nH]n1 ZINC001219868157 775291368 /nfs/dbraw/zinc/29/13/68/775291368.db2.gz ZQVBVNGAIOUJAX-YBEGLDIGSA-N 1 0 283.288 -1.232 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001125865572 775293959 /nfs/dbraw/zinc/29/39/59/775293959.db2.gz JPRKDGPXFCGPKZ-CQSZACIVSA-N 1 0 281.356 -1.007 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220036486 775294688 /nfs/dbraw/zinc/29/46/88/775294688.db2.gz PBJPYKCLBDILIY-OLIMHSOTSA-N 1 0 282.387 -1.330 20 30 CAEDRO N#CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001267747195 775296936 /nfs/dbraw/zinc/29/69/36/775296936.db2.gz OEPWWARFINSJOS-ZJUUUORDSA-N 1 0 293.327 -2.047 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267747528 775297101 /nfs/dbraw/zinc/29/71/01/775297101.db2.gz XPMBTGSKXOAIID-NXEZZACHSA-N 1 0 295.343 -1.672 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1 ZINC001220498138 775297239 /nfs/dbraw/zinc/29/72/39/775297239.db2.gz BYYXKNGBGJOXED-NTSWFWBYSA-N 1 0 267.249 -2.359 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001283783114 775298917 /nfs/dbraw/zinc/29/89/17/775298917.db2.gz VUDMGYNLWLVKHM-WDEREUQCSA-N 1 0 282.344 -1.523 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001283783113 775299599 /nfs/dbraw/zinc/29/95/99/775299599.db2.gz VUDMGYNLWLVKHM-QWRGUYRKSA-N 1 0 282.344 -1.523 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1COC(=O)N1 ZINC001267800025 775304124 /nfs/dbraw/zinc/30/41/24/775304124.db2.gz QAKJKBDGYXTKEZ-VHSXEESVSA-N 1 0 296.327 -1.671 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125897803 775305459 /nfs/dbraw/zinc/30/54/59/775305459.db2.gz STKHZVVNJFOUCK-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125897811 775306791 /nfs/dbraw/zinc/30/67/91/775306791.db2.gz STWGKPCSEXSZKP-LBPRGKRZSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1nnc[nH]1 ZINC001267823414 775308493 /nfs/dbraw/zinc/30/84/93/775308493.db2.gz IDYOOHPLIRLQRR-VIFPVBQESA-N 1 0 278.316 -1.348 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC(N)=O ZINC001267952984 775317802 /nfs/dbraw/zinc/31/78/02/775317802.db2.gz BBWFCVFJFLEUKT-SNVBAGLBSA-N 1 0 280.328 -1.808 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001267950365 775318392 /nfs/dbraw/zinc/31/83/92/775318392.db2.gz NUFRNBHKPYCIHB-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001267963753 775320973 /nfs/dbraw/zinc/32/09/73/775320973.db2.gz BOWYCAJBAMSXQS-VHSXEESVSA-N 1 0 280.328 -1.810 20 30 CAEDRO COC(=O)NCC(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001267984088 775322429 /nfs/dbraw/zinc/32/24/29/775322429.db2.gz UZYAESCQAADRLR-VIFPVBQESA-N 1 0 299.331 -1.676 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125946719 775323167 /nfs/dbraw/zinc/32/31/67/775323167.db2.gz WQXRZYWWLYMYGN-LLVKDONJSA-N 1 0 282.344 -2.228 20 30 CAEDRO Cc1nn[nH]c1C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001267997322 775324566 /nfs/dbraw/zinc/32/45/66/775324566.db2.gz CBPUYNXQWMVODD-MRVPVSSYSA-N 1 0 293.331 -1.292 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001267998769 775324606 /nfs/dbraw/zinc/32/46/06/775324606.db2.gz MBSOYXPXNRKEQR-QWRGUYRKSA-N 1 0 294.355 -1.786 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001267998768 775324850 /nfs/dbraw/zinc/32/48/50/775324850.db2.gz MBSOYXPXNRKEQR-MNOVXSKESA-N 1 0 294.355 -1.786 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001267989639 775325118 /nfs/dbraw/zinc/32/51/18/775325118.db2.gz FAMGPHKXDRKKNG-JTQLQIEISA-N 1 0 282.344 -1.786 20 30 CAEDRO C[C@H](CNC(=O)[C@@H]1CCNC1=O)C[NH2+]CC(=O)NCC#N ZINC001268000483 775326084 /nfs/dbraw/zinc/32/60/84/775326084.db2.gz ZPGCFDOWARVSLX-VHSXEESVSA-N 1 0 295.343 -1.896 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001268005268 775327931 /nfs/dbraw/zinc/32/79/31/775327931.db2.gz RPZMQZQLRGGQMJ-VHSXEESVSA-N 1 0 275.374 -1.101 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125956562 775328043 /nfs/dbraw/zinc/32/80/43/775328043.db2.gz LGBHZYZRMWGJNM-NSHDSACASA-N 1 0 284.360 -1.675 20 30 CAEDRO CN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125957104 775329386 /nfs/dbraw/zinc/32/93/86/775329386.db2.gz VNMWQCLGQVPWSS-JTQLQIEISA-N 1 0 283.332 -2.337 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001268005267 775329553 /nfs/dbraw/zinc/32/95/53/775329553.db2.gz RPZMQZQLRGGQMJ-UWVGGRQHSA-N 1 0 275.374 -1.101 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268006130 775329588 /nfs/dbraw/zinc/32/95/88/775329588.db2.gz VXYUHBSPPCXDSO-UWVGGRQHSA-N 1 0 280.328 -1.050 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125961952 775329983 /nfs/dbraw/zinc/32/99/83/775329983.db2.gz ZGYRXPJWTFCFKQ-LBPRGKRZSA-N 1 0 269.345 -1.327 20 30 CAEDRO C[C@H](CNC(=O)c1cnon1)C[NH2+]CC(=O)NCC#N ZINC001268007994 775330047 /nfs/dbraw/zinc/33/00/47/775330047.db2.gz JKTQFNZLCPIUQU-QMMMGPOBSA-N 1 0 280.288 -1.335 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cnnn1CC ZINC001125978615 775332135 /nfs/dbraw/zinc/33/21/35/775332135.db2.gz VNVASUSAYIRYHK-UHFFFAOYSA-N 1 0 292.343 -1.357 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001125978010 775332219 /nfs/dbraw/zinc/33/22/19/775332219.db2.gz JXNGUGVCBQNDDI-UHFFFAOYSA-N 1 0 278.316 -1.840 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001125978173 775332638 /nfs/dbraw/zinc/33/26/38/775332638.db2.gz NIYKPZODIMLKPP-UHFFFAOYSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001125977673 775333072 /nfs/dbraw/zinc/33/30/72/775333072.db2.gz CVKOVTSTCOXAQU-UHFFFAOYSA-N 1 0 294.355 -1.546 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001125982205 775333859 /nfs/dbraw/zinc/33/38/59/775333859.db2.gz SEFHUVCAXXQGIT-MRVPVSSYSA-N 1 0 254.290 -2.295 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](C)OC ZINC001125982061 775334724 /nfs/dbraw/zinc/33/47/24/775334724.db2.gz QGKOWKWWOKFNFQ-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125987784 775335366 /nfs/dbraw/zinc/33/53/66/775335366.db2.gz CTODOSOAAHXYRA-UHFFFAOYSA-N 1 0 292.299 -1.339 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001125997530 775335628 /nfs/dbraw/zinc/33/56/28/775335628.db2.gz AKJUOMCLOSKOFR-SNVBAGLBSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001125997908 775336345 /nfs/dbraw/zinc/33/63/45/775336345.db2.gz GRCBNUYLZPEIBA-JTQLQIEISA-N 1 0 282.344 -1.692 20 30 CAEDRO C[C@H]([NH2+]CCNC(=O)c1c[nH]c(C#N)c1)C(=O)NC(N)=O ZINC001125994415 775336923 /nfs/dbraw/zinc/33/69/23/775336923.db2.gz AVCHKIRCYIPQBS-ZETCQYMHSA-N 1 0 292.299 -1.211 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCC ZINC001125997537 775336986 /nfs/dbraw/zinc/33/69/86/775336986.db2.gz AQYRWMZJVZZBGJ-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001125998159 775337007 /nfs/dbraw/zinc/33/70/07/775337007.db2.gz LKGFBWFSCVNPGB-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001125998158 775337069 /nfs/dbraw/zinc/33/70/69/775337069.db2.gz LKGFBWFSCVNPGB-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)C(=O)NCC=C ZINC001125998239 775337515 /nfs/dbraw/zinc/33/75/15/775337515.db2.gz NLUNOISYCWAWPB-LLVKDONJSA-N 1 0 294.355 -1.478 20 30 CAEDRO CCNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126002080 775337697 /nfs/dbraw/zinc/33/76/97/775337697.db2.gz DCQXNFTXWZMWBZ-UHFFFAOYSA-N 1 0 269.305 -2.142 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCNCc1cn(CC)nn1 ZINC001125998764 775338459 /nfs/dbraw/zinc/33/84/59/775338459.db2.gz VPDFVUFOYKBVST-UHFFFAOYSA-N 1 0 292.343 -1.357 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)NCC ZINC001126011550 775339422 /nfs/dbraw/zinc/33/94/22/775339422.db2.gz GWGSRBDHLCRPPW-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC(=O)NC ZINC001126021460 775341007 /nfs/dbraw/zinc/34/10/07/775341007.db2.gz MBKGWTWIKWAANP-NSHDSACASA-N 1 0 296.371 -1.254 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126032035 775343990 /nfs/dbraw/zinc/34/39/90/775343990.db2.gz FUUHDBQLZTZMDY-VIFPVBQESA-N 1 0 296.331 -1.620 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126032653 775345111 /nfs/dbraw/zinc/34/51/11/775345111.db2.gz MSNONCMNWDZAKR-SECBINFHSA-N 1 0 294.315 -2.173 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126032027 775345134 /nfs/dbraw/zinc/34/51/34/775345134.db2.gz FUUHDBQLZTZMDY-SECBINFHSA-N 1 0 296.331 -1.620 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)no1 ZINC001126036881 775345279 /nfs/dbraw/zinc/34/52/79/775345279.db2.gz MYXBCDVIKGZLJC-UHFFFAOYSA-N 1 0 280.284 -1.248 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126114642 775349573 /nfs/dbraw/zinc/34/95/73/775349573.db2.gz NXSXWAMPGZBBNZ-UHFFFAOYSA-N 1 0 265.313 -1.212 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncnc1 ZINC001126114871 775350324 /nfs/dbraw/zinc/35/03/24/775350324.db2.gz OSXYBVWBRAGDSC-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)NC ZINC001126158187 775352333 /nfs/dbraw/zinc/35/23/33/775352333.db2.gz BGMPWCMEYGECTF-VIFPVBQESA-N 1 0 268.317 -2.034 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)NC ZINC001126158188 775352789 /nfs/dbraw/zinc/35/27/89/775352789.db2.gz BKFXZBHHNLDYGT-SECBINFHSA-N 1 0 270.333 -1.481 20 30 CAEDRO CNC(=O)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126162094 775355397 /nfs/dbraw/zinc/35/53/97/775355397.db2.gz ZMLSIXKGGGZTLA-UHFFFAOYSA-N 1 0 255.278 -2.532 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC(=O)NC)C1=O ZINC001126169259 775355940 /nfs/dbraw/zinc/35/59/40/775355940.db2.gz GAADBWQSYKRASF-SNVBAGLBSA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000092492834 775356667 /nfs/dbraw/zinc/35/66/67/775356667.db2.gz DCIFATMQQAOZEQ-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126196064 775359105 /nfs/dbraw/zinc/35/91/05/775359105.db2.gz YJBHDFAHQAVXSC-IUCAKERBSA-N 1 0 283.332 -2.113 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)NC(N)=O)C1=O ZINC001126195715 775359186 /nfs/dbraw/zinc/35/91/86/775359186.db2.gz UEHPJIMYOQGGMI-UWVGGRQHSA-N 1 0 297.359 -1.464 20 30 CAEDRO C=CCNC(=O)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722284357 775362349 /nfs/dbraw/zinc/36/23/49/775362349.db2.gz YDGPFDNLEOMBQL-VIFPVBQESA-N 1 0 261.347 -1.040 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126204555 775362464 /nfs/dbraw/zinc/36/24/64/775362464.db2.gz QEKBTUMBKCCMTF-VIFPVBQESA-N 1 0 256.306 -1.601 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC1OCCCO1 ZINC001126223604 775366260 /nfs/dbraw/zinc/36/62/60/775366260.db2.gz BQUQCKDNVQWTKD-UHFFFAOYSA-N 1 0 284.316 -1.515 20 30 CAEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)cnn1 ZINC001126251308 775367291 /nfs/dbraw/zinc/36/72/91/775367291.db2.gz VYYOLISLCXEHJD-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO CN(C)C(=O)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167803127 775367378 /nfs/dbraw/zinc/36/73/78/775367378.db2.gz DPVVKVPFCPSGJD-UHFFFAOYSA-N 1 0 283.332 -1.800 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)NC(C)=O ZINC001268049850 775368751 /nfs/dbraw/zinc/36/87/51/775368751.db2.gz LOQRDJVTWVXRBS-WDEREUQCSA-N 1 0 296.371 -1.303 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001268048597 775368951 /nfs/dbraw/zinc/36/89/51/775368951.db2.gz AZUVYLXKTVIRSZ-SNVBAGLBSA-N 1 0 284.360 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC(N)=O ZINC001268052945 775369699 /nfs/dbraw/zinc/36/96/99/775369699.db2.gz DDLDNDJATRSYRT-VIFPVBQESA-N 1 0 268.317 -1.952 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001268081267 775373557 /nfs/dbraw/zinc/37/35/57/775373557.db2.gz QPOUCSLHGVLZAF-RKDXNWHRSA-N 1 0 296.331 -2.256 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126291900 775373892 /nfs/dbraw/zinc/37/38/92/775373892.db2.gz GDAFWLYDXMJION-UHFFFAOYSA-N 1 0 280.284 -1.953 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001268081266 775374118 /nfs/dbraw/zinc/37/41/18/775374118.db2.gz QPOUCSLHGVLZAF-IUCAKERBSA-N 1 0 296.331 -2.256 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126287988 775374342 /nfs/dbraw/zinc/37/43/42/775374342.db2.gz XSUTXDMEQRRQCF-UHFFFAOYSA-N 1 0 267.329 -1.180 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001268077572 775375311 /nfs/dbraw/zinc/37/53/11/775375311.db2.gz NBBQSCJWYQSQCW-LLVKDONJSA-N 1 0 266.345 -1.512 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268081747 775375845 /nfs/dbraw/zinc/37/58/45/775375845.db2.gz WFBXREGUTDXOBT-VIFPVBQESA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126301902 775377841 /nfs/dbraw/zinc/37/78/41/775377841.db2.gz KTRGXDZBLXGBMM-JTQLQIEISA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCn1cc(C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)nn1 ZINC001268090446 775378228 /nfs/dbraw/zinc/37/82/28/775378228.db2.gz UQSSQIDIZGMELH-SECBINFHSA-N 1 0 280.332 -1.001 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126302103 775378574 /nfs/dbraw/zinc/37/85/74/775378574.db2.gz UBGVUDVWDLOPFJ-JTQLQIEISA-N 1 0 296.371 -1.139 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126306328 775379553 /nfs/dbraw/zinc/37/95/53/775379553.db2.gz FEZASMPVKJFWQK-VIFPVBQESA-N 1 0 296.327 -1.012 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CNC(=O)CC ZINC001282113505 775381851 /nfs/dbraw/zinc/38/18/51/775381851.db2.gz PBEPQJZXTXYMBK-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+][C@H](CNC(=O)CN1C(=O)CNC1=O)C(C)C ZINC001268227081 775387061 /nfs/dbraw/zinc/38/70/61/775387061.db2.gz PTTVGXFECPCINV-SNVBAGLBSA-N 1 0 280.328 -1.098 20 30 CAEDRO C#CC[NH2+][C@@H](CNC(=O)CS(=O)(=O)NC)C(C)C ZINC001268227017 775387355 /nfs/dbraw/zinc/38/73/55/775387355.db2.gz HEYBWSYHOFLSQW-JTQLQIEISA-N 1 0 275.374 -1.101 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001268285388 775390469 /nfs/dbraw/zinc/39/04/69/775390469.db2.gz HIENYFZQDSSGTB-UWVGGRQHSA-N 1 0 282.344 -1.352 20 30 CAEDRO C#CCCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126339008 775390435 /nfs/dbraw/zinc/39/04/35/775390435.db2.gz OIIFGXPPRNAVIS-UHFFFAOYSA-N 1 0 294.355 -1.546 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001268285391 775390871 /nfs/dbraw/zinc/39/08/71/775390871.db2.gz HIENYFZQDSSGTB-ZJUUUORDSA-N 1 0 282.344 -1.352 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001268285384 775391424 /nfs/dbraw/zinc/39/14/24/775391424.db2.gz HIENYFZQDSSGTB-NXEZZACHSA-N 1 0 282.344 -1.352 20 30 CAEDRO C#CCCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001126338481 775391432 /nfs/dbraw/zinc/39/14/32/775391432.db2.gz BXPAHLOXUKDDHM-UHFFFAOYSA-N 1 0 268.317 -1.049 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001268294007 775392374 /nfs/dbraw/zinc/39/23/74/775392374.db2.gz CIOGEAFXFTZRFD-JTQLQIEISA-N 1 0 254.286 -1.035 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001268294008 775392794 /nfs/dbraw/zinc/39/27/94/775392794.db2.gz CIOGEAFXFTZRFD-SNVBAGLBSA-N 1 0 254.286 -1.035 20 30 CAEDRO C[C@H]([NH2+]C[C@H](O)CNC(=O)CSCC#N)C(N)=O ZINC001268296792 775393346 /nfs/dbraw/zinc/39/33/46/775393346.db2.gz CRVOIKSHXGCEPN-YUMQZZPRSA-N 1 0 274.346 -1.816 20 30 CAEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC001268304677 775394044 /nfs/dbraw/zinc/39/40/44/775394044.db2.gz NMCZOJHHLNONFB-ZDUSSCGKSA-N 1 0 293.367 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001268304247 775394414 /nfs/dbraw/zinc/39/44/14/775394414.db2.gz IWIYIUVTHCJJCC-GFCCVEGCSA-N 1 0 277.324 -1.784 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001268300898 775394487 /nfs/dbraw/zinc/39/44/87/775394487.db2.gz KEQVECBRIFUPFW-GHMZBOCLSA-N 1 0 298.343 -1.738 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001268300908 775394552 /nfs/dbraw/zinc/39/45/52/775394552.db2.gz KEQVECBRIFUPFW-MNOVXSKESA-N 1 0 298.343 -1.738 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCCC(=O)NC ZINC001268304082 775394882 /nfs/dbraw/zinc/39/48/82/775394882.db2.gz KVRAQMMSPIEEPY-NSHDSACASA-N 1 0 269.345 -1.007 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCCO)[nH]1 ZINC001268304800 775395165 /nfs/dbraw/zinc/39/51/65/775395165.db2.gz PPOAMGSZUABRCR-JTQLQIEISA-N 1 0 266.301 -1.051 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCCC(=O)NC ZINC001268304080 775395191 /nfs/dbraw/zinc/39/51/91/775395191.db2.gz KVRAQMMSPIEEPY-LLVKDONJSA-N 1 0 269.345 -1.007 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnsn1 ZINC001268300598 775395308 /nfs/dbraw/zinc/39/53/08/775395308.db2.gz QAXXQIVCQWHCTA-QMMMGPOBSA-N 1 0 299.356 -1.479 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001268303775 775395655 /nfs/dbraw/zinc/39/56/55/775395655.db2.gz HVKPGHGSVLNVIB-GFCCVEGCSA-N 1 0 295.339 -1.851 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001268303871 775395728 /nfs/dbraw/zinc/39/57/28/775395728.db2.gz DYZMUTMESNMRAZ-QWHCGFSZSA-N 1 0 293.367 -1.150 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001268305695 775395834 /nfs/dbraw/zinc/39/58/34/775395834.db2.gz SRRXNEFVLKJVHY-SFYZADRCSA-N 1 0 290.270 -1.652 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1=O ZINC001268309319 775396286 /nfs/dbraw/zinc/39/62/86/775396286.db2.gz ULQDODKQFFIHFC-NSHDSACASA-N 1 0 285.344 -1.512 20 30 CAEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)NC ZINC001268305585 775396379 /nfs/dbraw/zinc/39/63/79/775396379.db2.gz HYBFJDWKWCTZFP-JTQLQIEISA-N 1 0 272.349 -1.052 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001268307850 775396406 /nfs/dbraw/zinc/39/64/06/775396406.db2.gz WKASEQQRQWSCNF-SNVBAGLBSA-N 1 0 274.342 -1.879 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC(C)C ZINC001268303872 775396516 /nfs/dbraw/zinc/39/65/16/775396516.db2.gz DYZMUTMESNMRAZ-STQMWFEESA-N 1 0 293.367 -1.150 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001268308298 775396584 /nfs/dbraw/zinc/39/65/84/775396584.db2.gz NUWSKHFSFFETFE-SECBINFHSA-N 1 0 280.332 -1.258 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC(C)C ZINC001268303552 775396617 /nfs/dbraw/zinc/39/66/17/775396617.db2.gz BCRUAEJMIJKQSC-LBPRGKRZSA-N 1 0 279.340 -1.538 20 30 CAEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCO)[nH]1 ZINC001268303376 775396792 /nfs/dbraw/zinc/39/67/92/775396792.db2.gz CVPJUSFMVJPLNW-VIFPVBQESA-N 1 0 252.274 -1.441 20 30 CAEDRO CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C#CC1CC1)C(N)=O ZINC001268305289 775396801 /nfs/dbraw/zinc/39/68/01/775396801.db2.gz QOOUTYLARUBSPJ-MNOVXSKESA-N 1 0 267.329 -1.270 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001268307846 775396984 /nfs/dbraw/zinc/39/69/84/775396984.db2.gz WKASEQQRQWSCNF-JTQLQIEISA-N 1 0 274.342 -1.879 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001268305696 775397170 /nfs/dbraw/zinc/39/71/70/775397170.db2.gz SRRXNEFVLKJVHY-YUMQZZPRSA-N 1 0 290.270 -1.652 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001268306677 775398133 /nfs/dbraw/zinc/39/81/33/775398133.db2.gz XVNZAAFWLSZWBV-ZJUUUORDSA-N 1 0 298.343 -1.704 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001268307752 775398650 /nfs/dbraw/zinc/39/86/50/775398650.db2.gz JVIGBFCMTXWRCM-NSHDSACASA-N 1 0 278.312 -1.556 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001268312563 775398877 /nfs/dbraw/zinc/39/88/77/775398877.db2.gz YIXWHYOQPSOVGT-UWVGGRQHSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001268312913 775399269 /nfs/dbraw/zinc/39/92/69/775399269.db2.gz LDJZDXHDAHGPLD-WDEREUQCSA-N 1 0 288.369 -1.489 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001268316128 775399278 /nfs/dbraw/zinc/39/92/78/775399278.db2.gz HQUIWOXNWIGLRU-NXEZZACHSA-N 1 0 253.302 -1.788 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001268316131 775399607 /nfs/dbraw/zinc/39/96/07/775399607.db2.gz HQUIWOXNWIGLRU-ZJUUUORDSA-N 1 0 253.302 -1.788 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001268313798 775399753 /nfs/dbraw/zinc/39/97/53/775399753.db2.gz FULDLPANEYTEIM-LLVKDONJSA-N 1 0 288.311 -1.172 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CNS(=O)(=O)NC ZINC001268317407 775401053 /nfs/dbraw/zinc/40/10/53/775401053.db2.gz MBBVRAGYFQJXKZ-SECBINFHSA-N 1 0 292.361 -2.870 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001268313126 775400329 /nfs/dbraw/zinc/40/03/29/775400329.db2.gz NMJITZGUFQHGDJ-JTQLQIEISA-N 1 0 283.328 -1.222 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268319257 775400998 /nfs/dbraw/zinc/40/09/98/775400998.db2.gz GQUMQLAYOCCDIF-RYUDHWBXSA-N 1 0 297.355 -1.819 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001268319259 775401252 /nfs/dbraw/zinc/40/12/52/775401252.db2.gz GQUMQLAYOCCDIF-VXGBXAGGSA-N 1 0 297.355 -1.819 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001268316760 775401307 /nfs/dbraw/zinc/40/13/07/775401307.db2.gz VOVBBCZMXQFKAB-RYUDHWBXSA-N 1 0 271.361 -1.040 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001268318730 775401473 /nfs/dbraw/zinc/40/14/73/775401473.db2.gz YWEVNWJUKQOXGB-SECBINFHSA-N 1 0 294.315 -2.457 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001268326570 775402901 /nfs/dbraw/zinc/40/29/01/775402901.db2.gz XWGDPYXIIPTFAH-NSHDSACASA-N 1 0 293.327 -2.232 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCn1cnnn1 ZINC001268327374 775403009 /nfs/dbraw/zinc/40/30/09/775403009.db2.gz QSUNHBRMCWMCKW-VIFPVBQESA-N 1 0 252.278 -2.237 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001268322365 775403258 /nfs/dbraw/zinc/40/32/58/775403258.db2.gz LJURYLYMRVHRPK-IUCAKERBSA-N 1 0 284.316 -2.675 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1nnnc1C(C)C ZINC001268328915 775404619 /nfs/dbraw/zinc/40/46/19/775404619.db2.gz PTARINVUACPULY-SNVBAGLBSA-N 1 0 280.332 -1.504 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cncn1 ZINC001268331328 775404872 /nfs/dbraw/zinc/40/48/72/775404872.db2.gz HYOMYNJKWIYRGT-LLVKDONJSA-N 1 0 281.316 -2.005 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268331342 775404948 /nfs/dbraw/zinc/40/49/48/775404948.db2.gz IECUIBKOTSWFSB-JTQLQIEISA-N 1 0 298.343 -1.477 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cn1cncn1 ZINC001268331329 775405662 /nfs/dbraw/zinc/40/56/62/775405662.db2.gz HYOMYNJKWIYRGT-NSHDSACASA-N 1 0 281.316 -2.005 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268335696 775406408 /nfs/dbraw/zinc/40/64/08/775406408.db2.gz NSGAXDIOTKQCNS-DTWKUNHWSA-N 1 0 277.346 -2.069 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001268334789 775406593 /nfs/dbraw/zinc/40/65/93/775406593.db2.gz MOSAZHNMJRFJBP-SNVBAGLBSA-N 1 0 282.344 -1.020 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001268332493 775406805 /nfs/dbraw/zinc/40/68/05/775406805.db2.gz OJEAPYRPDZQIQU-JTQLQIEISA-N 1 0 290.323 -1.245 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001268334759 775406824 /nfs/dbraw/zinc/40/68/24/775406824.db2.gz MJVUPDFKXRETHN-LLVKDONJSA-N 1 0 293.327 -1.736 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001268334779 775407174 /nfs/dbraw/zinc/40/71/74/775407174.db2.gz MOSAZHNMJRFJBP-JTQLQIEISA-N 1 0 282.344 -1.020 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001268335937 775408442 /nfs/dbraw/zinc/40/84/42/775408442.db2.gz AXVGCMVMPIEMMO-UWVGGRQHSA-N 1 0 283.328 -1.318 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001268348828 775408555 /nfs/dbraw/zinc/40/85/55/775408555.db2.gz IOXMGOZGXKONBV-GHMZBOCLSA-N 1 0 294.355 -1.501 20 30 CAEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cn1ncnn1 ZINC001268364125 775409959 /nfs/dbraw/zinc/40/99/59/775409959.db2.gz BADKDRKSCCZKAX-VIFPVBQESA-N 1 0 294.319 -2.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001268396135 775410510 /nfs/dbraw/zinc/41/05/10/775410510.db2.gz RVPOZCPBOZBHTA-SECBINFHSA-N 1 0 293.331 -1.943 20 30 CAEDRO O=C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001167903963 775410633 /nfs/dbraw/zinc/41/06/33/775410633.db2.gz ZARHVJFEEPZRNC-CCURFHNNSA-N 1 0 259.302 -1.983 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001268395434 775411363 /nfs/dbraw/zinc/41/13/63/775411363.db2.gz QDMIQWYZEVQLBI-JTQLQIEISA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001268426440 775413669 /nfs/dbraw/zinc/41/36/69/775413669.db2.gz OISRZVOPMLWRQD-VIFPVBQESA-N 1 0 278.316 -1.505 20 30 CAEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001268426437 775413975 /nfs/dbraw/zinc/41/39/75/775413975.db2.gz OISRZVOPMLWRQD-SECBINFHSA-N 1 0 278.316 -1.505 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207688481 775414286 /nfs/dbraw/zinc/41/42/86/775414286.db2.gz PPMIAPKBIOCARX-IUCAKERBSA-N 1 0 281.316 -1.078 20 30 CAEDRO C#CCNC(=O)CN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001268432370 775414525 /nfs/dbraw/zinc/41/45/25/775414525.db2.gz BEMFURYZKGEPKV-GFCCVEGCSA-N 1 0 278.356 -1.370 20 30 CAEDRO CCC[N@H+](C)CC(=O)NC1CN(CC(=O)NCC#N)C1 ZINC001268474700 775419296 /nfs/dbraw/zinc/41/92/96/775419296.db2.gz PZXBTUSXKGFBTG-UHFFFAOYSA-N 1 0 281.360 -1.232 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001126364771 775421416 /nfs/dbraw/zinc/42/14/16/775421416.db2.gz BPDRPMCLNPYZBS-CQSZACIVSA-N 1 0 299.371 -1.122 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001126365917 775421900 /nfs/dbraw/zinc/42/19/00/775421900.db2.gz OJNKEKWUMPSOGV-SKDRFNHKSA-N 1 0 255.318 -1.092 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001126365457 775424682 /nfs/dbraw/zinc/42/46/82/775424682.db2.gz JUNYZMRATUVBHB-GFCCVEGCSA-N 1 0 286.332 -1.525 20 30 CAEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)N1 ZINC001268493804 775424727 /nfs/dbraw/zinc/42/47/27/775424727.db2.gz VMCHOTAIAYWBCI-JTQLQIEISA-N 1 0 295.343 -1.657 20 30 CAEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001126366738 775424787 /nfs/dbraw/zinc/42/47/87/775424787.db2.gz ZDJRUPQGVVFMBW-TVQRCGJNSA-N 1 0 283.328 -1.176 20 30 CAEDRO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O ZINC001268517984 775426028 /nfs/dbraw/zinc/42/60/28/775426028.db2.gz DQFWPVHMNNVDRN-FSIBCCDJSA-N 1 0 288.373 -1.043 20 30 CAEDRO C[C@H](C#N)C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O ZINC001268517986 775426355 /nfs/dbraw/zinc/42/63/55/775426355.db2.gz DQFWPVHMNNVDRN-UMBAGQNISA-N 1 0 288.373 -1.043 20 30 CAEDRO Cn1cc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)nn1 ZINC001268534962 775427713 /nfs/dbraw/zinc/42/77/13/775427713.db2.gz XONYZBJABLMFIP-NSCUHMNNSA-N 1 0 291.315 -1.670 20 30 CAEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1COC(=O)N1 ZINC001268536915 775428432 /nfs/dbraw/zinc/42/84/32/775428432.db2.gz QEVPQAATGBMGEJ-UMBAGQNISA-N 1 0 296.327 -1.341 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001126379214 775433399 /nfs/dbraw/zinc/43/33/99/775433399.db2.gz ZSZOSRRXROVPGC-ZDUSSCGKSA-N 1 0 298.343 -1.429 20 30 CAEDRO Cc1nn[nH]c1C(=O)NCC=CC[NH2+]CC(=O)NCC#N ZINC001268571610 775433587 /nfs/dbraw/zinc/43/35/87/775433587.db2.gz CMIPZIKFZLHSPF-IHWYPQMZSA-N 1 0 291.315 -1.372 20 30 CAEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CNC(=O)N1 ZINC001268583945 775436701 /nfs/dbraw/zinc/43/67/01/775436701.db2.gz HFUDRHNIHOKTMB-IYABHPQVSA-N 1 0 294.315 -2.430 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001126385914 775437013 /nfs/dbraw/zinc/43/70/13/775437013.db2.gz ZUHSTZICPHERCV-PELKAZGASA-N 1 0 286.332 -1.397 20 30 CAEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001126385921 775437201 /nfs/dbraw/zinc/43/72/01/775437201.db2.gz ZUHSTZICPHERCV-UFBFGSQYSA-N 1 0 286.332 -1.397 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001083331387 775440250 /nfs/dbraw/zinc/44/02/50/775440250.db2.gz GGBSUPIKKZCJCD-NEPJUHHUSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368331 775450479 /nfs/dbraw/zinc/45/04/79/775450479.db2.gz KDTBWYMBBCIJMR-UTUOFQBUSA-N 1 0 251.330 -1.125 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083371689 775453227 /nfs/dbraw/zinc/45/32/27/775453227.db2.gz FCKSZXBKSSBNGM-MXWKQRLJSA-N 1 0 265.313 -1.550 20 30 CAEDRO C#CC[NH2+]C/C=C/CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001268596589 775456114 /nfs/dbraw/zinc/45/61/14/775456114.db2.gz NRMZAJHWXLIROT-ZWNMCFTASA-N 1 0 280.328 -1.738 20 30 CAEDRO C#CC[NH2+]C/C=C\CNC(=O)CN1C(=O)CNC1=O ZINC001268623091 775460167 /nfs/dbraw/zinc/46/01/67/775460167.db2.gz JGPAYKRVQHVJRF-ARJAWSKDSA-N 1 0 264.285 -1.567 20 30 CAEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cncn1 ZINC001268621637 775460422 /nfs/dbraw/zinc/46/04/22/775460422.db2.gz WNZUYBSBFAEBHG-ONEGZZNKSA-N 1 0 290.327 -1.711 20 30 CAEDRO C#CCC[NH2+]C/C=C\CNC(=O)CS(=O)(=O)NC ZINC001268629713 775460479 /nfs/dbraw/zinc/46/04/79/775460479.db2.gz YVZQDQAUZTZLQY-WAYWQWQTSA-N 1 0 273.358 -1.179 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001268642041 775460658 /nfs/dbraw/zinc/46/06/58/775460658.db2.gz IDBRKCKXQSACOM-GFCCVEGCSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC1OCCCO1 ZINC001268643037 775460680 /nfs/dbraw/zinc/46/06/80/775460680.db2.gz SRPRAQLUTPCVMX-LLVKDONJSA-N 1 0 297.355 -1.017 20 30 CAEDRO CO[C@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268639407 775460747 /nfs/dbraw/zinc/46/07/47/775460747.db2.gz JVASWOQTSUSIKV-RKDXNWHRSA-N 1 0 256.306 -1.245 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1ccnn1C ZINC001126393281 775460766 /nfs/dbraw/zinc/46/07/66/775460766.db2.gz PXBMFFZGCLYEAY-UHFFFAOYSA-N 1 0 279.344 -1.029 20 30 CAEDRO CC(=O)N1CC(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)C1 ZINC001268641941 775460796 /nfs/dbraw/zinc/46/07/96/775460796.db2.gz LNOZOSVRCDGHQL-SECBINFHSA-N 1 0 295.343 -1.801 20 30 CAEDRO CO[C@@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268639405 775461433 /nfs/dbraw/zinc/46/14/33/775461433.db2.gz JVASWOQTSUSIKV-BDAKNGLRSA-N 1 0 256.306 -1.245 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CNC(=O)CC ZINC001268638992 775461717 /nfs/dbraw/zinc/46/17/17/775461717.db2.gz CDUVJMCSJXDKPN-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001268636323 775461875 /nfs/dbraw/zinc/46/18/75/775461875.db2.gz UPIUFKUUQDIKSG-ZJUUUORDSA-N 1 0 284.360 -1.093 20 30 CAEDRO CCOCC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268636128 775461950 /nfs/dbraw/zinc/46/19/50/775461950.db2.gz QKKROTLUFZFIAP-SECBINFHSA-N 1 0 256.306 -1.243 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)c1N ZINC001268643013 775462051 /nfs/dbraw/zinc/46/20/51/775462051.db2.gz RTGVBAYTKRFJDF-MRVPVSSYSA-N 1 0 293.331 -1.650 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001268640350 775462064 /nfs/dbraw/zinc/46/20/64/775462064.db2.gz AHHJJQODWIEPPM-SNVBAGLBSA-N 1 0 296.371 -1.139 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001268643746 775462096 /nfs/dbraw/zinc/46/20/96/775462096.db2.gz ANYKDLLCYJVGEB-NXEZZACHSA-N 1 0 269.301 -1.161 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cn1ncnn1 ZINC001268645770 775462605 /nfs/dbraw/zinc/46/26/05/775462605.db2.gz VSEYNOODIPTANG-MRVPVSSYSA-N 1 0 280.292 -2.593 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001268657378 775463151 /nfs/dbraw/zinc/46/31/51/775463151.db2.gz TWIQVAGHYVJLEE-GFCCVEGCSA-N 1 0 296.371 -1.838 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001268657789 775463457 /nfs/dbraw/zinc/46/34/57/775463457.db2.gz INTPAENHFHGXHQ-BDAKNGLRSA-N 1 0 293.331 -1.944 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCNC1=O ZINC001268657538 775463628 /nfs/dbraw/zinc/46/36/28/775463628.db2.gz ZXCCSNBFQZHMGO-BDAKNGLRSA-N 1 0 281.316 -2.143 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H](C)CC(N)=O ZINC001268656841 775463744 /nfs/dbraw/zinc/46/37/44/775463744.db2.gz FQYKUCUOUMBJAE-DTWKUNHWSA-N 1 0 283.332 -1.768 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001268657399 775463916 /nfs/dbraw/zinc/46/39/16/775463916.db2.gz UIFYBZCGWFNKJZ-NXEZZACHSA-N 1 0 282.344 -1.481 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268662086 775464450 /nfs/dbraw/zinc/46/44/50/775464450.db2.gz WLOAIBZIZBIJII-MXWKQRLJSA-N 1 0 267.329 -1.148 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268661889 775464688 /nfs/dbraw/zinc/46/46/88/775464688.db2.gz NSCJBNSFPFTVFV-BBBLOLIVSA-N 1 0 280.328 -2.049 20 30 CAEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001268664385 775464767 /nfs/dbraw/zinc/46/47/67/775464767.db2.gz IDALWXKUJCFICJ-SNVBAGLBSA-N 1 0 292.339 -1.185 20 30 CAEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1ncc[nH]1 ZINC001268667087 775464825 /nfs/dbraw/zinc/46/48/25/775464825.db2.gz HODWIXJKLKQPSM-SECBINFHSA-N 1 0 278.316 -1.314 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nonc1C ZINC001268667881 775465123 /nfs/dbraw/zinc/46/51/23/775465123.db2.gz ALIWUCVMBSAZSU-SECBINFHSA-N 1 0 293.327 -1.236 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccnnc1 ZINC001268663029 775465603 /nfs/dbraw/zinc/46/56/03/775465603.db2.gz CFCWDTLXBVANCX-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001268680991 775466353 /nfs/dbraw/zinc/46/63/53/775466353.db2.gz CBFKXAGCCZMZRS-VIFPVBQESA-N 1 0 286.332 -1.261 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]c1 ZINC001268678374 775466474 /nfs/dbraw/zinc/46/64/74/775466474.db2.gz FXPVEEWZGLVSOT-QMMMGPOBSA-N 1 0 264.289 -1.243 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001268682427 775466817 /nfs/dbraw/zinc/46/68/17/775466817.db2.gz MKIBJWKRJGSONC-GARJFASQSA-N 1 0 294.355 -1.503 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001268686491 775467130 /nfs/dbraw/zinc/46/71/30/775467130.db2.gz DHDIYRWCSMGNHS-VIFPVBQESA-N 1 0 278.316 -1.505 20 30 CAEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)Cn1ncnn1 ZINC001268688389 775467175 /nfs/dbraw/zinc/46/71/75/775467175.db2.gz FVMCDCVIGVZVNC-JTQLQIEISA-N 1 0 266.305 -1.583 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC1OCCCO1 ZINC001268684692 775467232 /nfs/dbraw/zinc/46/72/32/775467232.db2.gz SRPRAQLUTPCVMX-NSHDSACASA-N 1 0 297.355 -1.017 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnc[nH]c1=O ZINC001268692116 775467931 /nfs/dbraw/zinc/46/79/31/775467931.db2.gz YOFUNSFZDLGZTD-QMMMGPOBSA-N 1 0 292.299 -1.470 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001268693985 775467967 /nfs/dbraw/zinc/46/79/67/775467967.db2.gz RCSCLORRSLETFQ-LBPRGKRZSA-N 1 0 280.372 -1.122 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1nnn(C)n1 ZINC001268699488 775468164 /nfs/dbraw/zinc/46/81/64/775468164.db2.gz ICAJCJMGKTVUFF-ZETCQYMHSA-N 1 0 280.292 -2.442 20 30 CAEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1csnn1 ZINC001268697109 775469008 /nfs/dbraw/zinc/46/90/08/775469008.db2.gz FQRWXDNGFDYZSI-ZETCQYMHSA-N 1 0 282.329 -1.114 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnon1 ZINC001268708847 775469728 /nfs/dbraw/zinc/46/97/28/775469728.db2.gz GNYHHXZKVORZIR-IUCAKERBSA-N 1 0 279.300 -1.085 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001268705181 775469871 /nfs/dbraw/zinc/46/98/71/775469871.db2.gz DQUNABQXNXQBQR-VIFPVBQESA-N 1 0 276.362 -1.890 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001268701105 775469914 /nfs/dbraw/zinc/46/99/14/775469914.db2.gz YEKNXEJRFXYXMI-VIFPVBQESA-N 1 0 280.328 -1.904 20 30 CAEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001268706120 775470040 /nfs/dbraw/zinc/47/00/40/775470040.db2.gz VVMQGNZAQIAAFH-JTQLQIEISA-N 1 0 290.389 -1.500 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001268709596 775470208 /nfs/dbraw/zinc/47/02/08/775470208.db2.gz WJGBASITKNCUGE-JTQLQIEISA-N 1 0 278.312 -1.346 20 30 CAEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268706210 775470585 /nfs/dbraw/zinc/47/05/85/775470585.db2.gz YXMNXJCHXOKTTB-YUMQZZPRSA-N 1 0 254.290 -1.135 20 30 CAEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001268729801 775471554 /nfs/dbraw/zinc/47/15/54/775471554.db2.gz FBRBEORNZXZPTM-LLVKDONJSA-N 1 0 280.332 -1.241 20 30 CAEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268715143 775471613 /nfs/dbraw/zinc/47/16/13/775471613.db2.gz JEDGFYLRKNZMHF-DTWKUNHWSA-N 1 0 259.331 -1.594 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001268733301 775471946 /nfs/dbraw/zinc/47/19/46/775471946.db2.gz VWNZYPMBBKKXIG-JTQLQIEISA-N 1 0 275.374 -1.053 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001268756700 775473600 /nfs/dbraw/zinc/47/36/00/775473600.db2.gz MDCJUHRVLRDAFD-JTQLQIEISA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001268756489 775473942 /nfs/dbraw/zinc/47/39/42/775473942.db2.gz KYCIJBQHBWOOST-SNVBAGLBSA-N 1 0 280.328 -1.050 20 30 CAEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001268758989 775474177 /nfs/dbraw/zinc/47/41/77/775474177.db2.gz HNRFEOMPHQNLGN-SNVBAGLBSA-N 1 0 292.343 -1.163 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001268790523 775475289 /nfs/dbraw/zinc/47/52/89/775475289.db2.gz QVNOWDLMMKUHCB-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001268790522 775475529 /nfs/dbraw/zinc/47/55/29/775475529.db2.gz QVNOWDLMMKUHCB-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001279920123 775484809 /nfs/dbraw/zinc/48/48/09/775484809.db2.gz PRZKKGHABVAXBJ-NSHDSACASA-N 1 0 295.339 -1.527 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001269056514 775487888 /nfs/dbraw/zinc/48/78/88/775487888.db2.gz NCZXTKIMVHGKCB-SNVBAGLBSA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001269056513 775488014 /nfs/dbraw/zinc/48/80/14/775488014.db2.gz NCZXTKIMVHGKCB-JTQLQIEISA-N 1 0 280.328 -1.904 20 30 CAEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269092224 775489060 /nfs/dbraw/zinc/48/90/60/775489060.db2.gz TWLHHRIBDKEKNT-OLZOCXBDSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[NH2+]C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C1CC1 ZINC001269145170 775491714 /nfs/dbraw/zinc/49/17/14/775491714.db2.gz OBSKXSQIAWNVAN-NSHDSACASA-N 1 0 292.339 -1.002 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001284415968 775491957 /nfs/dbraw/zinc/49/19/57/775491957.db2.gz ISCIORWIVCBIPH-NSHDSACASA-N 1 0 292.339 -1.174 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001284405006 775492483 /nfs/dbraw/zinc/49/24/83/775492483.db2.gz QXNSKSWPWFWHGL-CHWSQXEVSA-N 1 0 283.372 -1.251 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001284435668 775496854 /nfs/dbraw/zinc/49/68/54/775496854.db2.gz JYQPRDWUDCTQKT-VXGBXAGGSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284434858 775496912 /nfs/dbraw/zinc/49/69/12/775496912.db2.gz AUVJMXWWVYPNGQ-SECBINFHSA-N 1 0 264.285 -1.574 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)C1 ZINC001269343389 775503341 /nfs/dbraw/zinc/50/33/41/775503341.db2.gz KSQBNAHKNKCJNE-RYUDHWBXSA-N 1 0 293.371 -1.232 20 30 CAEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC(=O)NCC#N)C1 ZINC001269343388 775503396 /nfs/dbraw/zinc/50/33/96/775503396.db2.gz KSQBNAHKNKCJNE-NWDGAFQWSA-N 1 0 293.371 -1.232 20 30 CAEDRO N#CCSCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001269379400 775505043 /nfs/dbraw/zinc/50/50/43/775505043.db2.gz JEKGDHZSDGTBPY-UHFFFAOYSA-N 1 0 299.356 -1.324 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2ncnn2)CC1 ZINC001269416249 775506724 /nfs/dbraw/zinc/50/67/24/775506724.db2.gz QBSVRWZSCGRISC-UHFFFAOYSA-N 1 0 291.315 -2.339 20 30 CAEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001284504619 775506848 /nfs/dbraw/zinc/50/68/48/775506848.db2.gz HLPNFHMRGSRXEX-RYUDHWBXSA-N 1 0 296.371 -1.216 20 30 CAEDRO CNC(=O)NCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269422706 775506939 /nfs/dbraw/zinc/50/69/39/775506939.db2.gz KYVMSJZZKYCBJF-UHFFFAOYSA-N 1 0 296.331 -2.206 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001269407926 775507009 /nfs/dbraw/zinc/50/70/09/775507009.db2.gz ULADEKOGMJIVHW-VIFPVBQESA-N 1 0 294.311 -1.917 20 30 CAEDRO C#CC[NH2+][C@@H](CC)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001269466281 775508019 /nfs/dbraw/zinc/50/80/19/775508019.db2.gz IMUBEJDCJYKDFL-QMMMGPOBSA-N 1 0 299.356 -1.212 20 30 CAEDRO C#CC[NH2+][C@H](CC)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001269466280 775508207 /nfs/dbraw/zinc/50/82/07/775508207.db2.gz IMUBEJDCJYKDFL-MRVPVSSYSA-N 1 0 299.356 -1.212 20 30 CAEDRO CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001269461499 775508422 /nfs/dbraw/zinc/50/84/22/775508422.db2.gz VCYGTXHUHRTASB-BDAKNGLRSA-N 1 0 296.331 -2.208 20 30 CAEDRO CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001269461501 775508725 /nfs/dbraw/zinc/50/87/25/775508725.db2.gz VCYGTXHUHRTASB-DTWKUNHWSA-N 1 0 296.331 -2.208 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001269494112 775509674 /nfs/dbraw/zinc/50/96/74/775509674.db2.gz PTKYLCKOGWPYHC-ZJUUUORDSA-N 1 0 292.339 -1.904 20 30 CAEDRO CC#CC[NH2+][C@@H](CC)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001269476947 775510097 /nfs/dbraw/zinc/51/00/97/775510097.db2.gz IMJISGXIWMODDS-RYUDHWBXSA-N 1 0 296.371 -1.126 20 30 CAEDRO CC[C@@H](CNC(=O)Cc1nc[nH]n1)[NH2+]CC(=O)NCC#N ZINC001269491013 775510784 /nfs/dbraw/zinc/51/07/84/775510784.db2.gz ANDRLUHNAUTGCH-VIFPVBQESA-N 1 0 293.331 -1.529 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001269521915 775511691 /nfs/dbraw/zinc/51/16/91/775511691.db2.gz HBXFDJXWMLFRQB-VIFPVBQESA-N 1 0 293.327 -1.857 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1ncc[nH]1 ZINC001126437303 775519972 /nfs/dbraw/zinc/51/99/72/775519972.db2.gz YQKSHIHSEQONSL-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CNS(=O)(=O)NC ZINC001270105407 775523737 /nfs/dbraw/zinc/52/37/37/775523737.db2.gz NRNGREUTSYMMOT-JTQLQIEISA-N 1 0 290.389 -1.193 20 30 CAEDRO N#CCNC(=O)C[NH+]1CCC(CCNC(=O)C(N)=O)CC1 ZINC001270138585 775523772 /nfs/dbraw/zinc/52/37/72/775523772.db2.gz VZQDWGAUADEPAU-UHFFFAOYSA-N 1 0 295.343 -1.670 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CCC(O)CC1 ZINC001126452826 775524652 /nfs/dbraw/zinc/52/46/52/775524652.db2.gz JHBALTHUVPGGKW-UHFFFAOYSA-N 1 0 281.356 -1.007 20 30 CAEDRO C[C@H](CNC(=O)C1=COCCO1)C[NH2+]CC(=O)NCC#N ZINC001270347023 775529422 /nfs/dbraw/zinc/52/94/22/775529422.db2.gz BUVRLGPFIPGUNW-JTQLQIEISA-N 1 0 296.327 -1.144 20 30 CAEDRO C[C@H](CNC(=O)c1ncn(C)n1)C[NH2+]CC(=O)NCC#N ZINC001270402172 775530623 /nfs/dbraw/zinc/53/06/23/775530623.db2.gz RIBUVMNUURTJRW-VIFPVBQESA-N 1 0 293.331 -1.590 20 30 CAEDRO C[C@@H](CNC(=O)C#CC1CC1)C[NH2+]CC(=O)NC(N)=O ZINC001270401533 775530634 /nfs/dbraw/zinc/53/06/34/775530634.db2.gz DDGHYZIHKPYAGF-SECBINFHSA-N 1 0 280.328 -1.063 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001270419075 775530842 /nfs/dbraw/zinc/53/08/42/775530842.db2.gz HBIAIUAHDQYJTM-NSHDSACASA-N 1 0 292.339 -1.478 20 30 CAEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001270518121 775534565 /nfs/dbraw/zinc/53/45/65/775534565.db2.gz VIUJNJQLGPARDW-OUAUKWLOSA-N 1 0 267.329 -1.006 20 30 CAEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001270518120 775534702 /nfs/dbraw/zinc/53/47/02/775534702.db2.gz VIUJNJQLGPARDW-GARJFASQSA-N 1 0 267.329 -1.006 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(C)(C)O ZINC001126467136 775535365 /nfs/dbraw/zinc/53/53/65/775535365.db2.gz FJGAMIMQUHJLSR-SNVBAGLBSA-N 1 0 269.345 -1.009 20 30 CAEDRO C[C@H](CNC(=O)c1nnc[nH]1)C[NH2+]CC(=O)NCC#N ZINC001270551675 775536268 /nfs/dbraw/zinc/53/62/68/775536268.db2.gz UFCVKKRIJGLAQM-QMMMGPOBSA-N 1 0 279.304 -1.600 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001083403846 775537529 /nfs/dbraw/zinc/53/75/29/775537529.db2.gz PIWPPSBTEJDTIL-TUAOUCFPSA-N 1 0 279.340 -1.303 20 30 CAEDRO Cc1ccnc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001126472064 775538255 /nfs/dbraw/zinc/53/82/55/775538255.db2.gz XDRUQSXHPHTBGD-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)CC(N)=O)CCCC1 ZINC001270728002 775543982 /nfs/dbraw/zinc/54/39/82/775543982.db2.gz POMHEILTNGJZDK-UHFFFAOYSA-N 1 0 295.343 -1.480 20 30 CAEDRO CO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001126487015 775549262 /nfs/dbraw/zinc/54/92/62/775549262.db2.gz PDTVBQWTIHAPPG-LLVKDONJSA-N 1 0 268.317 -1.243 20 30 CAEDRO COCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001270870091 775554982 /nfs/dbraw/zinc/55/49/82/775554982.db2.gz IYPWETDHWXQAFK-SECBINFHSA-N 1 0 256.306 -1.291 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001270878547 775555403 /nfs/dbraw/zinc/55/54/03/775555403.db2.gz VQKLRZUYBGXGIA-MNOVXSKESA-N 1 0 296.371 -1.303 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CNC(C)=O ZINC001270878548 775555537 /nfs/dbraw/zinc/55/55/37/775555537.db2.gz VQKLRZUYBGXGIA-QWRGUYRKSA-N 1 0 296.371 -1.303 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC(N)=O ZINC001270921216 775560083 /nfs/dbraw/zinc/56/00/83/775560083.db2.gz GUIRPTHBGFJJJU-UWVGGRQHSA-N 1 0 284.360 -1.011 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001271067875 775564704 /nfs/dbraw/zinc/56/47/04/775564704.db2.gz LOHHLVKBROHXIO-SNVBAGLBSA-N 1 0 280.332 -1.090 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001271109026 775566376 /nfs/dbraw/zinc/56/63/76/775566376.db2.gz GQZNBUJIAHMNIJ-AWEZNQCLSA-N 1 0 279.340 -1.205 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)COC)C1 ZINC001271108749 775566736 /nfs/dbraw/zinc/56/67/36/775566736.db2.gz DMCGHLWNRXOJJS-ZDUSSCGKSA-N 1 0 270.329 -1.164 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCNC1=O ZINC001271068922 775566786 /nfs/dbraw/zinc/56/67/86/775566786.db2.gz VCFRAVGGUWCCDC-QWRGUYRKSA-N 1 0 296.371 -1.139 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCNC1=O ZINC001271068923 775567135 /nfs/dbraw/zinc/56/71/35/775567135.db2.gz VCFRAVGGUWCCDC-WDEREUQCSA-N 1 0 296.371 -1.139 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCNC1=O ZINC001271068921 775567444 /nfs/dbraw/zinc/56/74/44/775567444.db2.gz VCFRAVGGUWCCDC-MNOVXSKESA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001271118753 775568262 /nfs/dbraw/zinc/56/82/62/775568262.db2.gz CUPMQGMCCCCPLC-YPMHNXCESA-N 1 0 268.313 -1.412 20 30 CAEDRO C=CCNC(=O)CN1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001271130697 775571025 /nfs/dbraw/zinc/57/10/25/775571025.db2.gz DTVDVFPWRIWVSN-ZDUSSCGKSA-N 1 0 298.343 -2.283 20 30 CAEDRO Cn1nncc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126541011 775571496 /nfs/dbraw/zinc/57/14/96/775571496.db2.gz NTJMDKNJNRLYBO-UHFFFAOYSA-N 1 0 265.277 -2.226 20 30 CAEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001271129460 775571850 /nfs/dbraw/zinc/57/18/50/775571850.db2.gz MHFWUFOLCZPCIO-JQWIXIFHSA-N 1 0 296.371 -1.174 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001271138700 775574453 /nfs/dbraw/zinc/57/44/53/775574453.db2.gz SAKBYYPAIOUQLI-FZMZJTMJSA-N 1 0 279.340 -1.301 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126548490 775578066 /nfs/dbraw/zinc/57/80/66/775578066.db2.gz MJPXDJZEPGZJEH-MRVPVSSYSA-N 1 0 270.289 -1.897 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126549065 775578440 /nfs/dbraw/zinc/57/84/40/775578440.db2.gz WPNAQLSOLGQBAB-MRVPVSSYSA-N 1 0 268.273 -2.450 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419027 775583461 /nfs/dbraw/zinc/58/34/61/775583461.db2.gz MLEORWWFRJOVGL-ZJUUUORDSA-N 1 0 279.300 -1.832 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126559267 775585551 /nfs/dbraw/zinc/58/55/51/775585551.db2.gz COHQGHWHQUUNSE-BDAKNGLRSA-N 1 0 282.300 -2.062 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126561468 775587258 /nfs/dbraw/zinc/58/72/58/775587258.db2.gz QCDXGMPCMYFHRX-IUCAKERBSA-N 1 0 284.316 -1.509 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126561465 775587365 /nfs/dbraw/zinc/58/73/65/775587365.db2.gz QCDXGMPCMYFHRX-BDAKNGLRSA-N 1 0 284.316 -1.509 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001271182983 775589965 /nfs/dbraw/zinc/58/99/65/775589965.db2.gz ABINJPVWTNFWQK-MFKMUULPSA-N 1 0 282.344 -1.203 20 30 CAEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001271173719 775590621 /nfs/dbraw/zinc/59/06/21/775590621.db2.gz BVFBJYNZHIOUCD-AWEZNQCLSA-N 1 0 296.371 -1.843 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001271184199 775592712 /nfs/dbraw/zinc/59/27/12/775592712.db2.gz IWWDFAMQZZQUDO-BXUZGUMPSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001271184856 775593250 /nfs/dbraw/zinc/59/32/50/775593250.db2.gz OQXKQESXSVRBNY-ZDUSSCGKSA-N 1 0 276.296 -1.430 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001271184200 775593343 /nfs/dbraw/zinc/59/33/43/775593343.db2.gz IWWDFAMQZZQUDO-RISCZKNCSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001271201291 775594808 /nfs/dbraw/zinc/59/48/08/775594808.db2.gz OWUBQEFVLGCFCG-GFCCVEGCSA-N 1 0 263.301 -1.385 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cncn1 ZINC001271198964 775594947 /nfs/dbraw/zinc/59/49/47/775594947.db2.gz UFOHQEILIHQQFC-NSHDSACASA-N 1 0 292.343 -1.536 20 30 CAEDRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001271377726 775605649 /nfs/dbraw/zinc/60/56/49/775605649.db2.gz VLBFXFLHTGPFBD-ZJUUUORDSA-N 1 0 295.343 -1.672 20 30 CAEDRO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001271377724 775606083 /nfs/dbraw/zinc/60/60/83/775606083.db2.gz VLBFXFLHTGPFBD-UWVGGRQHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001271377723 775606295 /nfs/dbraw/zinc/60/62/95/775606295.db2.gz VLBFXFLHTGPFBD-NXEZZACHSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001168052058 775607037 /nfs/dbraw/zinc/60/70/37/775607037.db2.gz KNVNNUUWMOYNEY-UHFFFAOYSA-N 1 0 292.343 -1.092 20 30 CAEDRO C#CC[NH2+]C1CCN(CCNC(=O)CNC(C)=O)CC1 ZINC001271898516 775627985 /nfs/dbraw/zinc/62/79/85/775627985.db2.gz MTTKTOJOSGXURR-UHFFFAOYSA-N 1 0 280.372 -1.074 20 30 CAEDRO N#CCNC1CC[NH+](CCNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001271932743 775629240 /nfs/dbraw/zinc/62/92/40/775629240.db2.gz UUAZHEQWUWCANW-LBPRGKRZSA-N 1 0 293.371 -1.041 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001272020838 775640501 /nfs/dbraw/zinc/64/05/01/775640501.db2.gz QTPLEDVNYBQGFD-UHFFFAOYSA-N 1 0 278.316 -1.600 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126650549 775642541 /nfs/dbraw/zinc/64/25/41/775642541.db2.gz QLHZJTRQLDTEEH-UHFFFAOYSA-N 1 0 264.289 -2.116 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1ncn(C)n1 ZINC001126677831 775646925 /nfs/dbraw/zinc/64/69/25/775646925.db2.gz FQPHPTISQDYNJJ-UHFFFAOYSA-N 1 0 251.290 -1.216 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126697579 775651304 /nfs/dbraw/zinc/65/13/04/775651304.db2.gz AGYNMKCQMYJPBL-SNVBAGLBSA-N 1 0 299.375 -1.298 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126698470 775651585 /nfs/dbraw/zinc/65/15/85/775651585.db2.gz WMFGNJPTHNAFCN-SNVBAGLBSA-N 1 0 297.359 -1.851 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001168224721 775656397 /nfs/dbraw/zinc/65/63/97/775656397.db2.gz IKOJUIJLJINXHK-SNVBAGLBSA-N 1 0 295.343 -1.609 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001168232040 775656773 /nfs/dbraw/zinc/65/67/73/775656773.db2.gz MJJDXILHFLXTFC-NSHDSACASA-N 1 0 294.355 -1.500 20 30 CAEDRO CC#CC[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001272076495 775659010 /nfs/dbraw/zinc/65/90/10/775659010.db2.gz ZNRHNPBJOSWZFQ-UHFFFAOYSA-N 1 0 290.389 -1.546 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1OC ZINC001212031956 775668298 /nfs/dbraw/zinc/66/82/98/775668298.db2.gz CJTLCUFNMDRNDV-IJLUTSLNSA-N 1 0 297.355 -1.107 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001083444111 775668374 /nfs/dbraw/zinc/66/83/74/775668374.db2.gz OCTCEKQMPHLFFN-BDAKNGLRSA-N 1 0 251.290 -1.224 20 30 CAEDRO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041120 775668639 /nfs/dbraw/zinc/66/86/39/775668639.db2.gz FRKDFTZYMUIXTC-IJLUTSLNSA-N 1 0 285.344 -1.030 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212071637 775669840 /nfs/dbraw/zinc/66/98/40/775669840.db2.gz YWQKMQRFIUOSOI-NXEZZACHSA-N 1 0 253.302 -1.300 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212071590 775670251 /nfs/dbraw/zinc/67/02/51/775670251.db2.gz WYBREXHRTZNRGJ-GHMZBOCLSA-N 1 0 285.344 -1.120 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001279150879 775674088 /nfs/dbraw/zinc/67/40/88/775674088.db2.gz YNCWAZJOFQUIBP-VHSXEESVSA-N 1 0 282.344 -1.542 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001279150871 775674964 /nfs/dbraw/zinc/67/49/64/775674964.db2.gz YNCWAZJOFQUIBP-UWVGGRQHSA-N 1 0 282.344 -1.542 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462370 775676764 /nfs/dbraw/zinc/67/67/64/775676764.db2.gz HHSSJZUYDBQJIS-ZJUUUORDSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1COCCO1 ZINC001272117018 775676797 /nfs/dbraw/zinc/67/67/97/775676797.db2.gz RAVCATKFSWFOSS-GFCCVEGCSA-N 1 0 270.329 -1.164 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001272154156 775678041 /nfs/dbraw/zinc/67/80/41/775678041.db2.gz CCNIQIAJVNCMHD-JTQLQIEISA-N 1 0 269.301 -1.471 20 30 CAEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001272136306 775678045 /nfs/dbraw/zinc/67/80/45/775678045.db2.gz NGYIMGSQPXHTBT-ZDUSSCGKSA-N 1 0 283.372 -1.249 20 30 CAEDRO C#CC[N@@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001272144920 775678367 /nfs/dbraw/zinc/67/83/67/775678367.db2.gz DWAXYHCEJMNORS-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001272136311 775678564 /nfs/dbraw/zinc/67/85/64/775678564.db2.gz NKLYZSRGNLUGPE-GFCCVEGCSA-N 1 0 269.345 -1.639 20 30 CAEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001272164750 775679492 /nfs/dbraw/zinc/67/94/92/775679492.db2.gz FEZMVMWXGQZLDM-UHFFFAOYSA-N 1 0 280.328 -1.048 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)C[C@@H](C)NC(N)=O ZINC001272168995 775681705 /nfs/dbraw/zinc/68/17/05/775681705.db2.gz QBAPUBGUTMKFHR-SNVBAGLBSA-N 1 0 270.333 -1.523 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)Cn1ncnn1 ZINC001272168962 775682133 /nfs/dbraw/zinc/68/21/33/775682133.db2.gz PIVJJNWEOPRLCH-UHFFFAOYSA-N 1 0 254.294 -1.730 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)NC(=O)CC ZINC001272174468 775682300 /nfs/dbraw/zinc/68/23/00/775682300.db2.gz OBHOKTNBZZPHOL-LLVKDONJSA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)CS(=O)(=O)NC)C1 ZINC001100994231 775683562 /nfs/dbraw/zinc/68/35/62/775683562.db2.gz LXGLOAUIRVYWKA-UHFFFAOYSA-N 1 0 273.358 -1.347 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001168309988 775687589 /nfs/dbraw/zinc/68/75/89/775687589.db2.gz AMMDMBGDMLUUGR-UHFFFAOYSA-N 1 0 295.339 -1.215 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001272216252 775689961 /nfs/dbraw/zinc/68/99/61/775689961.db2.gz PUCKWGRTEYMAAI-MNOVXSKESA-N 1 0 294.355 -1.303 20 30 CAEDRO C=CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001272216253 775690120 /nfs/dbraw/zinc/69/01/20/775690120.db2.gz PUCKWGRTEYMAAI-QWRGUYRKSA-N 1 0 294.355 -1.303 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126800658 775690850 /nfs/dbraw/zinc/69/08/50/775690850.db2.gz JTOJBGWAZSYQMR-UHFFFAOYSA-N 1 0 250.262 -1.631 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126806617 775692163 /nfs/dbraw/zinc/69/21/63/775692163.db2.gz LLFFLNWQWOQMGF-UHFFFAOYSA-N 1 0 294.315 -1.259 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1C ZINC001272225001 775692265 /nfs/dbraw/zinc/69/22/65/775692265.db2.gz KQZUJQQZZILQBN-VXGBXAGGSA-N 1 0 281.356 -1.198 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126822642 775693977 /nfs/dbraw/zinc/69/39/77/775693977.db2.gz FOJHVEJXVGNXAL-SECBINFHSA-N 1 0 263.301 -1.133 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126822643 775694389 /nfs/dbraw/zinc/69/43/89/775694389.db2.gz FOJHVEJXVGNXAL-VIFPVBQESA-N 1 0 263.301 -1.133 20 30 CAEDRO CC(C)C#CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001126834598 775698679 /nfs/dbraw/zinc/69/86/79/775698679.db2.gz TWAFREXYZPZRGV-UHFFFAOYSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083490914 775700118 /nfs/dbraw/zinc/70/01/18/775700118.db2.gz CWAMOSUXNWGOPY-MNOVXSKESA-N 1 0 286.295 -1.468 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492150 775701010 /nfs/dbraw/zinc/70/10/10/775701010.db2.gz NSSSKPSWNYDPAC-MNOVXSKESA-N 1 0 263.301 -1.537 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC1(O)CCC1 ZINC001126848377 775701441 /nfs/dbraw/zinc/70/14/41/775701441.db2.gz RUOQTPJHVTURIH-UHFFFAOYSA-N 1 0 268.317 -1.363 20 30 CAEDRO C[C@@H]([NH2+]CCNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001126886018 775707396 /nfs/dbraw/zinc/70/73/96/775707396.db2.gz NNNPTCVDDOITDA-MRVPVSSYSA-N 1 0 266.301 -1.311 20 30 CAEDRO C[C@H]([NH2+]CCNC(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001126886021 775707602 /nfs/dbraw/zinc/70/76/02/775707602.db2.gz NNNPTCVDDOITDA-QMMMGPOBSA-N 1 0 266.301 -1.311 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1nnc(C)[nH]1 ZINC001126907961 775711861 /nfs/dbraw/zinc/71/18/61/775711861.db2.gz YMJODJDJICDXBJ-UHFFFAOYSA-N 1 0 280.332 -1.336 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529975 775712293 /nfs/dbraw/zinc/71/22/93/775712293.db2.gz QSCGVNJPXXPIGH-NEPJUHHUSA-N 1 0 297.355 -1.417 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083528413 775712456 /nfs/dbraw/zinc/71/24/56/775712456.db2.gz PWAUTICGLDTQHS-MNOVXSKESA-N 1 0 281.312 -2.360 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083534075 775713111 /nfs/dbraw/zinc/71/31/11/775713111.db2.gz AEIPVWWHABQKNF-AEJSXWLSSA-N 1 0 294.311 -2.231 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083530274 775714894 /nfs/dbraw/zinc/71/48/94/775714894.db2.gz GURJCHQZOFELOB-NEPJUHHUSA-N 1 0 295.339 -1.970 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC(N)=O ZINC001272253056 775716039 /nfs/dbraw/zinc/71/60/39/775716039.db2.gz NJASPTQGDDANEJ-UWVGGRQHSA-N 1 0 295.343 -1.624 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC(N)=O ZINC001272253057 775716119 /nfs/dbraw/zinc/71/61/19/775716119.db2.gz NJASPTQGDDANEJ-VHSXEESVSA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@@H](O)C1 ZINC001083536917 775716353 /nfs/dbraw/zinc/71/63/53/775716353.db2.gz RGVUKHCLSKKEDB-RNJOBUHISA-N 1 0 282.340 -1.025 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC(N)=O ZINC001272253053 775717026 /nfs/dbraw/zinc/71/70/26/775717026.db2.gz NJASPTQGDDANEJ-NXEZZACHSA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001083535633 775717175 /nfs/dbraw/zinc/71/71/75/775717175.db2.gz CBLBRHCCKGBUNE-RDBSUJKOSA-N 1 0 295.383 -1.108 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196482 775722658 /nfs/dbraw/zinc/72/26/58/775722658.db2.gz GYDXSSOGISNGIK-GARJFASQSA-N 1 0 262.313 -1.166 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196483 775722756 /nfs/dbraw/zinc/72/27/56/775722756.db2.gz GYDXSSOGISNGIK-HBNTYKKESA-N 1 0 262.313 -1.166 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932486 775731340 /nfs/dbraw/zinc/73/13/40/775731340.db2.gz ZILLEZBTDAPCPB-HTQZYQBOSA-N 1 0 269.261 -2.003 20 30 CAEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076582378 775731837 /nfs/dbraw/zinc/73/18/37/775731837.db2.gz UQTJANQPDRSMBL-QJPTWQEYSA-N 1 0 297.380 -1.156 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001083549568 775732174 /nfs/dbraw/zinc/73/21/74/775732174.db2.gz ORMHYOOELQVOFL-UTUOFQBUSA-N 1 0 279.340 -1.160 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943087 775743021 /nfs/dbraw/zinc/74/30/21/775743021.db2.gz KOUYHXVYZLMFDP-RKDXNWHRSA-N 1 0 270.289 -1.340 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723238 775744287 /nfs/dbraw/zinc/74/42/87/775744287.db2.gz REDSRVUCVOPDQZ-NXEZZACHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724370 775744369 /nfs/dbraw/zinc/74/43/69/775744369.db2.gz RVVJECLAGWKYAQ-NXEZZACHSA-N 1 0 264.289 -2.142 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723298 775745204 /nfs/dbraw/zinc/74/52/04/775745204.db2.gz UZMGRWZPPUTDJS-NXEZZACHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001076728314 775745390 /nfs/dbraw/zinc/74/53/90/775745390.db2.gz GGBSUPIKKZCJCD-VXGBXAGGSA-N 1 0 279.340 -1.207 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001272258141 775766905 /nfs/dbraw/zinc/76/69/05/775766905.db2.gz DJOXRHXYMOFAKC-NEPJUHHUSA-N 1 0 281.356 -1.068 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076909778 775771533 /nfs/dbraw/zinc/77/15/33/775771533.db2.gz MLEORWWFRJOVGL-NXEZZACHSA-N 1 0 279.300 -1.832 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076902084 775771909 /nfs/dbraw/zinc/77/19/09/775771909.db2.gz HPEUODUVWOHNRN-CHWSQXEVSA-N 1 0 281.356 -1.497 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942423 775778333 /nfs/dbraw/zinc/77/83/33/775778333.db2.gz OESLHVDSCPELQC-KXUCPTDWSA-N 1 0 269.301 -1.168 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003927 775787738 /nfs/dbraw/zinc/78/77/38/775787738.db2.gz FUNYTKKBIHWSNC-NXEZZACHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001077087559 775794706 /nfs/dbraw/zinc/79/47/06/775794706.db2.gz LXNXPAWNCBMFJZ-QJPTWQEYSA-N 1 0 279.340 -1.351 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077141023 775795707 /nfs/dbraw/zinc/79/57/07/775795707.db2.gz QSCGVNJPXXPIGH-VXGBXAGGSA-N 1 0 297.355 -1.417 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077156398 775796330 /nfs/dbraw/zinc/79/63/30/775796330.db2.gz AMTCGNYJRRHKEI-IVZWLZJFSA-N 1 0 296.327 -1.678 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077157200 775796592 /nfs/dbraw/zinc/79/65/92/775796592.db2.gz YEMLRUYDTZGEEM-IVZWLZJFSA-N 1 0 296.327 -1.678 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001077175676 775799854 /nfs/dbraw/zinc/79/98/54/775799854.db2.gz JETJQJVDUVJRHE-IJLUTSLNSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077159008 775799972 /nfs/dbraw/zinc/79/99/72/775799972.db2.gz JFPKICWSAZJXLI-HZSPNIEDSA-N 1 0 295.383 -1.372 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077162233 775800869 /nfs/dbraw/zinc/80/08/69/775800869.db2.gz KJVFLRQIMIRDHI-VXGBXAGGSA-N 1 0 290.323 -1.422 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077183063 775803348 /nfs/dbraw/zinc/80/33/48/775803348.db2.gz SAOYFQVMKAKHBB-GHMZBOCLSA-N 1 0 276.296 -1.020 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1ccn(C)n1 ZINC001126966218 775804622 /nfs/dbraw/zinc/80/46/22/775804622.db2.gz PVPAGBNTDGJZJG-UHFFFAOYSA-N 1 0 279.344 -1.029 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077199440 775805429 /nfs/dbraw/zinc/80/54/29/775805429.db2.gz OZSONMBEJASXGH-GHMZBOCLSA-N 1 0 276.296 -1.020 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264322 775810057 /nfs/dbraw/zinc/81/00/57/775810057.db2.gz ONGDYHMPDIPPHN-GHMZBOCLSA-N 1 0 295.343 -1.681 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccn(C)n1 ZINC001126971441 775816899 /nfs/dbraw/zinc/81/68/99/775816899.db2.gz CLCHPCCWLTZQSW-UHFFFAOYSA-N 1 0 277.328 -1.582 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ccn(C)n1 ZINC001126976073 775819926 /nfs/dbraw/zinc/81/99/26/775819926.db2.gz RORIOPYHDKZTLG-LLVKDONJSA-N 1 0 291.355 -1.194 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083584244 775825024 /nfs/dbraw/zinc/82/50/24/775825024.db2.gz NGPSKFVYLLFIEC-NEPJUHHUSA-N 1 0 294.355 -2.445 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585702 775826389 /nfs/dbraw/zinc/82/63/89/775826389.db2.gz JDHIOXQZHPCLLN-ZJUUUORDSA-N 1 0 281.316 -2.071 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCOCC#C ZINC001127023237 775836798 /nfs/dbraw/zinc/83/67/98/775836798.db2.gz FORZRRUGEKCHCO-LBPRGKRZSA-N 1 0 279.340 -1.130 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001127023907 775836758 /nfs/dbraw/zinc/83/67/58/775836758.db2.gz UUCNTUPDSMBFJG-UHFFFAOYSA-N 1 0 270.289 -2.073 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001127027101 775836917 /nfs/dbraw/zinc/83/69/17/775836917.db2.gz IIDHVTRMZCAXHQ-ZDUSSCGKSA-N 1 0 294.355 -1.010 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001127023638 775837058 /nfs/dbraw/zinc/83/70/58/775837058.db2.gz PLQNVDSVTMJBMG-UHFFFAOYSA-N 1 0 291.373 -1.719 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001127023820 775837099 /nfs/dbraw/zinc/83/70/99/775837099.db2.gz RQLARGDOZZAQCS-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001127027009 775837276 /nfs/dbraw/zinc/83/72/76/775837276.db2.gz DKFFBTOLUQESKY-UHFFFAOYSA-N 1 0 295.339 -1.119 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001127023259 775837385 /nfs/dbraw/zinc/83/73/85/775837385.db2.gz GPCODVJUZBHCDB-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127026892 775837456 /nfs/dbraw/zinc/83/74/56/775837456.db2.gz AVJXPUZFRLVYHY-UHFFFAOYSA-N 1 0 266.301 -1.628 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]C[C@H](O)COC ZINC001127031430 775840337 /nfs/dbraw/zinc/84/03/37/775840337.db2.gz BUBYVOVWIVRGCI-NSHDSACASA-N 1 0 258.318 -1.261 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001127032138 775840458 /nfs/dbraw/zinc/84/04/58/775840458.db2.gz UUVIJMBTWOVRKK-SNVBAGLBSA-N 1 0 253.302 -1.379 20 30 CAEDRO C#CCOCCC(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001127032370 775840524 /nfs/dbraw/zinc/84/05/24/775840524.db2.gz XQSWCGBBFJHYRJ-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639663 775841404 /nfs/dbraw/zinc/84/14/04/775841404.db2.gz BANYRVBRXGKFIL-MNOVXSKESA-N 1 0 286.295 -1.468 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001127045430 775842058 /nfs/dbraw/zinc/84/20/58/775842058.db2.gz AVVQDDXMAJKREP-SNVBAGLBSA-N 1 0 276.358 -1.225 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127039538 775842778 /nfs/dbraw/zinc/84/27/78/775842778.db2.gz LOCVBJSUDRHCLU-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)OCC#C ZINC001127051701 775843600 /nfs/dbraw/zinc/84/36/00/775843600.db2.gz LLAWUMZKLDVUMI-NEPJUHHUSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127046064 775843650 /nfs/dbraw/zinc/84/36/50/775843650.db2.gz KYNOPARSWDKZIS-LBPRGKRZSA-N 1 0 297.355 -1.411 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC ZINC001127046889 775843737 /nfs/dbraw/zinc/84/37/37/775843737.db2.gz VQMRSYZDPRKQEY-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001127047204 775843756 /nfs/dbraw/zinc/84/37/56/775843756.db2.gz ZLTPMEPNPLXLJM-GHMZBOCLSA-N 1 0 258.318 -1.262 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001127051786 775843842 /nfs/dbraw/zinc/84/38/42/775843842.db2.gz MVOMYXGRJLDERP-UWVGGRQHSA-N 1 0 298.343 -1.425 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001127045548 775844599 /nfs/dbraw/zinc/84/45/99/775844599.db2.gz DLZALOXKWVPPJG-UWVGGRQHSA-N 1 0 253.302 -1.381 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001127045547 775843989 /nfs/dbraw/zinc/84/39/89/775843989.db2.gz DLZALOXKWVPPJG-NXEZZACHSA-N 1 0 253.302 -1.381 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001127045987 775844059 /nfs/dbraw/zinc/84/40/59/775844059.db2.gz JYULYODBZHKBEN-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001127045884 775844148 /nfs/dbraw/zinc/84/41/48/775844148.db2.gz JLNXPYFGGGMIBO-LBPRGKRZSA-N 1 0 299.371 -1.117 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001127052023 775844239 /nfs/dbraw/zinc/84/42/39/775844239.db2.gz PQSBGKPWDWCSTO-QWRGUYRKSA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127051633 775844276 /nfs/dbraw/zinc/84/42/76/775844276.db2.gz KJNAWPOQNIWFCN-JTQLQIEISA-N 1 0 296.327 -1.718 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001127052022 775844378 /nfs/dbraw/zinc/84/43/78/775844378.db2.gz PQSBGKPWDWCSTO-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001127052471 775844516 /nfs/dbraw/zinc/84/45/16/775844516.db2.gz YECNJLZALNULPV-VHSXEESVSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)OCC#C ZINC001127051702 775844592 /nfs/dbraw/zinc/84/45/92/775844592.db2.gz LLAWUMZKLDVUMI-NWDGAFQWSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001127052315 775844699 /nfs/dbraw/zinc/84/46/99/775844699.db2.gz URHUDZFMSCEKPY-JTQLQIEISA-N 1 0 291.373 -1.720 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001127056840 775845304 /nfs/dbraw/zinc/84/53/04/775845304.db2.gz LACVDHBLCAYXEM-CHWSQXEVSA-N 1 0 294.355 -1.012 20 30 CAEDRO CNS(=O)(=O)NCC(=O)NCC#CC[NH+](C)C ZINC000913522630 775850907 /nfs/dbraw/zinc/85/09/07/775850907.db2.gz RCQHLCHBWRCYFO-UHFFFAOYSA-N 1 0 262.335 -2.279 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000913522403 775850920 /nfs/dbraw/zinc/85/09/20/775850920.db2.gz HZCZYJVTPXYDPG-QMMMGPOBSA-N 1 0 252.274 -1.734 20 30 CAEDRO C[C@@H](NS(C)(=O)=O)C(=O)NCC#CC[NH+](C)C ZINC000913518705 775851049 /nfs/dbraw/zinc/85/10/49/775851049.db2.gz XUNBQXJSSHMURY-SECBINFHSA-N 1 0 261.347 -1.395 20 30 CAEDRO CNS(=O)(=O)CCC(=O)NCC[NH2+]CC#CCOC ZINC001127082132 775851095 /nfs/dbraw/zinc/85/10/95/775851095.db2.gz LJCSNMGIHDLCSE-UHFFFAOYSA-N 1 0 291.373 -1.719 20 30 CAEDRO CC(C)C(=O)N[C@@H](CO)C(=O)NCC#CC[NH+](C)C ZINC000913522320 775851110 /nfs/dbraw/zinc/85/11/10/775851110.db2.gz DLWOYGFMQOYWQF-NSHDSACASA-N 1 0 269.345 -1.199 20 30 CAEDRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC#CC[NH+](C)C ZINC000913520062 775851172 /nfs/dbraw/zinc/85/11/72/775851172.db2.gz BDMJOHKMCWMLQV-PWSUYJOCSA-N 1 0 281.356 -1.057 20 30 CAEDRO Cn1cnn(CCC(=O)NCC#CC[NH+](C)C)c1=O ZINC000913522813 775851210 /nfs/dbraw/zinc/85/12/10/775851210.db2.gz ZTZULQBBEXGBKS-UHFFFAOYSA-N 1 0 265.317 -1.347 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000913522242 775851313 /nfs/dbraw/zinc/85/13/13/775851313.db2.gz BBSCSZLSMNALJE-IJLUTSLNSA-N 1 0 268.313 -1.920 20 30 CAEDRO CN(C)S(=O)(=O)CCC(=O)NCC#CC[NH+](C)C ZINC000913520445 775851431 /nfs/dbraw/zinc/85/14/31/775851431.db2.gz PISAKZHERPXJEU-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO CC(=O)N1CCOC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913520796 775851668 /nfs/dbraw/zinc/85/16/68/775851668.db2.gz YSYOTRKDUBACOE-LBPRGKRZSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127082792 775851684 /nfs/dbraw/zinc/85/16/84/775851684.db2.gz YXTOQBXTSLCGRV-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CN1CC(=O)NC1=O ZINC000913518263 775851707 /nfs/dbraw/zinc/85/17/07/775851707.db2.gz KLDOUUOUTGLRHO-UHFFFAOYSA-N 1 0 252.274 -1.781 20 30 CAEDRO CC(=O)N1CCOC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913520795 775851748 /nfs/dbraw/zinc/85/17/48/775851748.db2.gz YSYOTRKDUBACOE-GFCCVEGCSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001212149807 775854639 /nfs/dbraw/zinc/85/46/39/775854639.db2.gz HJGZUCYKEBHLMN-IJLUTSLNSA-N 1 0 297.355 -1.678 20 30 CAEDRO COCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001105736232 775856534 /nfs/dbraw/zinc/85/65/34/775856534.db2.gz RSCIVJAILREVCY-GHMZBOCLSA-N 1 0 282.344 -1.043 20 30 CAEDRO CC(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272370235 775900383 /nfs/dbraw/zinc/90/03/83/775900383.db2.gz ATGRUWHZNBVJOK-VIFPVBQESA-N 1 0 256.306 -1.651 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001105810936 775865016 /nfs/dbraw/zinc/86/50/16/775865016.db2.gz FYZNMHKCJFEQKL-VXGBXAGGSA-N 1 0 296.371 -1.011 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212170010 775866705 /nfs/dbraw/zinc/86/67/05/775866705.db2.gz BFOGNNUFLSYYLR-HBNTYKKESA-N 1 0 282.344 -1.118 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127146850 775869220 /nfs/dbraw/zinc/86/92/20/775869220.db2.gz DDUCGDHHPNQVNB-SNVBAGLBSA-N 1 0 270.333 -1.211 20 30 CAEDRO C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)NC(N)=O ZINC001127163309 775869953 /nfs/dbraw/zinc/86/99/53/775869953.db2.gz SJRNEBKLGNHADB-MRVPVSSYSA-N 1 0 284.320 -2.221 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127155500 775870187 /nfs/dbraw/zinc/87/01/87/775870187.db2.gz QFFVSOZRIRDLDQ-SECBINFHSA-N 1 0 285.348 -1.559 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127161170 775870213 /nfs/dbraw/zinc/87/02/13/775870213.db2.gz DAFDFYWAFRQUMM-ZJUUUORDSA-N 1 0 299.375 -1.170 20 30 CAEDRO C[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)NC(N)=O ZINC001127163310 775870881 /nfs/dbraw/zinc/87/08/81/775870881.db2.gz SJRNEBKLGNHADB-QMMMGPOBSA-N 1 0 284.320 -2.221 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001105965261 775873531 /nfs/dbraw/zinc/87/35/31/775873531.db2.gz UAWITONVQPIJQW-GHMZBOCLSA-N 1 0 296.371 -1.152 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106035578 775878368 /nfs/dbraw/zinc/87/83/68/775878368.db2.gz TXKAOVBISRJBHV-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089046143 775885837 /nfs/dbraw/zinc/88/58/37/775885837.db2.gz VTQICVYGRQWOLW-VWYCJHECSA-N 1 0 285.369 -1.110 20 30 CAEDRO C[NH+](C)CCC(=O)NC[C@H](O)CNc1ccnc(C#N)n1 ZINC001106085503 775887744 /nfs/dbraw/zinc/88/77/44/775887744.db2.gz UNGPBNOBSZTKHV-SNVBAGLBSA-N 1 0 292.343 -1.389 20 30 CAEDRO C#CC[NH2+]CCN(CCO)C(=O)CN1C(=O)CCC1=O ZINC001272307095 775889224 /nfs/dbraw/zinc/88/92/24/775889224.db2.gz KPEFJCCQEIPFHG-UHFFFAOYSA-N 1 0 281.312 -1.821 20 30 CAEDRO C#Cc1ccc(C(=O)N(CCO)CC[NH2+]CC(N)=O)nc1 ZINC001272294681 775890356 /nfs/dbraw/zinc/89/03/56/775890356.db2.gz AXXGXXIHKCLACU-UHFFFAOYSA-N 1 0 290.323 -1.428 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001077499880 775891134 /nfs/dbraw/zinc/89/11/34/775891134.db2.gz QUTLMXVWESGOMV-IJLUTSLNSA-N 1 0 279.340 -1.208 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508307 775895504 /nfs/dbraw/zinc/89/55/04/775895504.db2.gz VCHLEUYWCPISOC-VXGBXAGGSA-N 1 0 296.371 -1.844 20 30 CAEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508242 775895923 /nfs/dbraw/zinc/89/59/23/775895923.db2.gz RBQVMXVPMCRCGL-VXGBXAGGSA-N 1 0 294.355 -2.397 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508233 775895955 /nfs/dbraw/zinc/89/59/55/775895955.db2.gz QRLRCRAIVQOISF-VXGBXAGGSA-N 1 0 296.371 -1.844 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508008 775896171 /nfs/dbraw/zinc/89/61/71/775896171.db2.gz HFRUWBWJIKBDKJ-VXGBXAGGSA-N 1 0 294.355 -2.397 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(C)=O ZINC001272351830 775896997 /nfs/dbraw/zinc/89/69/97/775896997.db2.gz PQVFLEYCNVOCMP-WCBMZHEXSA-N 1 0 286.332 -1.527 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CCOCC1 ZINC001272351229 775897295 /nfs/dbraw/zinc/89/72/95/775897295.db2.gz GOEQIBOOTCDNMM-NSHDSACASA-N 1 0 298.343 -1.881 20 30 CAEDRO CCOCC(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001272352468 775897341 /nfs/dbraw/zinc/89/73/41/775897341.db2.gz VAAGKIBIBFENHF-LLVKDONJSA-N 1 0 258.318 -1.261 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CCOCC1 ZINC001272351227 775897541 /nfs/dbraw/zinc/89/75/41/775897541.db2.gz GOEQIBOOTCDNMM-LLVKDONJSA-N 1 0 298.343 -1.881 20 30 CAEDRO COCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272344909 775897624 /nfs/dbraw/zinc/89/76/24/775897624.db2.gz YGGXCTILLGEACZ-QMMMGPOBSA-N 1 0 258.278 -2.661 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC1 ZINC001272351339 775898263 /nfs/dbraw/zinc/89/82/63/775898263.db2.gz INJJYTFBOJPYLI-SNVBAGLBSA-N 1 0 298.343 -1.525 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(F)F ZINC001272352901 775898283 /nfs/dbraw/zinc/89/82/83/775898283.db2.gz WOCRGIZCCTZFHF-DTWKUNHWSA-N 1 0 291.298 -1.154 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CCC1 ZINC001272351465 775898471 /nfs/dbraw/zinc/89/84/71/775898471.db2.gz LLZKLRHCRYJDRZ-SNVBAGLBSA-N 1 0 268.317 -1.507 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc[nH]1 ZINC001272363439 775899154 /nfs/dbraw/zinc/89/91/54/775899154.db2.gz XQRWJXKXDXYBHQ-SNVBAGLBSA-N 1 0 278.312 -1.556 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccoc1 ZINC001272361274 775899176 /nfs/dbraw/zinc/89/91/76/775899176.db2.gz GPUGMCPTGRFKRV-NSHDSACASA-N 1 0 279.296 -1.291 20 30 CAEDRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)CSCC#N ZINC001272370379 775899512 /nfs/dbraw/zinc/89/95/12/775899512.db2.gz BRGWDXWOVJAWRI-SNVBAGLBSA-N 1 0 298.372 -1.361 20 30 CAEDRO Cn1ncnc1CNC[C@H](O)CNC(=O)CSCC#N ZINC001272373639 775901915 /nfs/dbraw/zinc/90/19/15/775901915.db2.gz YKHDVPSIKCMJSP-VIFPVBQESA-N 1 0 298.372 -1.361 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001272381530 775902446 /nfs/dbraw/zinc/90/24/46/775902446.db2.gz SULHDIJUPGBNNM-PSASIEDQSA-N 1 0 266.305 -1.459 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001272388937 775902474 /nfs/dbraw/zinc/90/24/74/775902474.db2.gz JDDHSZNECXYYPY-GHMZBOCLSA-N 1 0 298.343 -1.881 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001272381531 775903553 /nfs/dbraw/zinc/90/35/53/775903553.db2.gz SULHDIJUPGBNNM-SCZZXKLOSA-N 1 0 266.305 -1.459 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077512837 775904932 /nfs/dbraw/zinc/90/49/32/775904932.db2.gz QCFUJSNPSVZSKP-HBNTYKKESA-N 1 0 267.329 -1.140 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077512912 775905148 /nfs/dbraw/zinc/90/51/48/775905148.db2.gz SPPUZERCLUZGCB-GMTAPVOTSA-N 1 0 265.313 -1.693 20 30 CAEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001272407120 775907004 /nfs/dbraw/zinc/90/70/04/775907004.db2.gz WVQVFFFWXKSIEE-VHSXEESVSA-N 1 0 298.343 -1.560 20 30 CAEDRO CC(C)C#CC(=O)NC[C@@H](O)CNCc1nnnn1C ZINC001272406622 775907302 /nfs/dbraw/zinc/90/73/02/775907302.db2.gz NJXOFJYTOIDUNY-JTQLQIEISA-N 1 0 280.332 -1.564 20 30 CAEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001272407118 775907380 /nfs/dbraw/zinc/90/73/80/775907380.db2.gz WVQVFFFWXKSIEE-NXEZZACHSA-N 1 0 298.343 -1.560 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCNC(=O)NC ZINC001272405798 775907746 /nfs/dbraw/zinc/90/77/46/775907746.db2.gz AWSUANWWBROUTH-JTQLQIEISA-N 1 0 270.333 -1.605 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001272406551 775907969 /nfs/dbraw/zinc/90/79/69/775907969.db2.gz LXMNTCQAGVEAOZ-VIFPVBQESA-N 1 0 251.290 -1.481 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001272407121 775908052 /nfs/dbraw/zinc/90/80/52/775908052.db2.gz WVQVFFFWXKSIEE-ZJUUUORDSA-N 1 0 298.343 -1.560 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001272413431 775909108 /nfs/dbraw/zinc/90/91/08/775909108.db2.gz CSTDWKFIAJJAMG-WDEREUQCSA-N 1 0 285.344 -1.820 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001272413570 775909349 /nfs/dbraw/zinc/90/93/49/775909349.db2.gz DVYJDQPZNJCBDD-RKDXNWHRSA-N 1 0 257.290 -2.423 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001272443109 775911316 /nfs/dbraw/zinc/91/13/16/775911316.db2.gz LDDJPRARADVXNZ-SECBINFHSA-N 1 0 250.258 -1.504 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001272434149 775911385 /nfs/dbraw/zinc/91/13/85/775911385.db2.gz AWWLKYNDLBEFRL-ZJUUUORDSA-N 1 0 255.318 -1.283 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001272434147 775911502 /nfs/dbraw/zinc/91/15/02/775911502.db2.gz AWWLKYNDLBEFRL-UWVGGRQHSA-N 1 0 255.318 -1.283 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CN(C)C(=O)C1CC1 ZINC001272435579 775911670 /nfs/dbraw/zinc/91/16/70/775911670.db2.gz UUKZPVXTYWTWRC-GFCCVEGCSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001272444391 775912792 /nfs/dbraw/zinc/91/27/92/775912792.db2.gz TZJDEMWGRVLMTR-NXEZZACHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCO ZINC001272444153 775912946 /nfs/dbraw/zinc/91/29/46/775912946.db2.gz SICXYRNCODIKKR-NEPJUHHUSA-N 1 0 269.345 -1.857 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001272445601 775913151 /nfs/dbraw/zinc/91/31/51/775913151.db2.gz ZNBZHVDHZCSNTK-SNVBAGLBSA-N 1 0 294.311 -1.488 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001272462643 775914051 /nfs/dbraw/zinc/91/40/51/775914051.db2.gz WZNJDDNJUSKKSQ-CHWSQXEVSA-N 1 0 283.372 -1.203 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001272462718 775915130 /nfs/dbraw/zinc/91/51/30/775915130.db2.gz YNIGOIXAKOFWAV-VXGBXAGGSA-N 1 0 297.355 -1.771 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697108 775915474 /nfs/dbraw/zinc/91/54/74/775915474.db2.gz HFRUWBWJIKBDKJ-NEPJUHHUSA-N 1 0 294.355 -2.397 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700475 775917396 /nfs/dbraw/zinc/91/73/96/775917396.db2.gz NAGGFTABWQWDNI-MXWKQRLJSA-N 1 0 282.344 -1.253 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001272488623 775919715 /nfs/dbraw/zinc/91/97/15/775919715.db2.gz PUDYELVSLXCLBA-GHMZBOCLSA-N 1 0 288.369 -1.346 20 30 CAEDRO CC(C)[C@H](F)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272496126 775921642 /nfs/dbraw/zinc/92/16/42/775921642.db2.gz LQXHCQGXURBVJO-KOLCDFICSA-N 1 0 288.323 -1.313 20 30 CAEDRO CC#CCCCC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001272495306 775922098 /nfs/dbraw/zinc/92/20/98/775922098.db2.gz CSEOAKGTBSZYJG-SNVBAGLBSA-N 1 0 255.318 -1.268 20 30 CAEDRO CC(C)[C@H](F)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001272496128 775922385 /nfs/dbraw/zinc/92/23/85/775922385.db2.gz LQXHCQGXURBVJO-ONGXEEELSA-N 1 0 288.323 -1.313 20 30 CAEDRO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083705948 775922663 /nfs/dbraw/zinc/92/26/63/775922663.db2.gz DONYHNPZHJTPQT-ZJUUUORDSA-N 1 0 280.332 -1.049 20 30 CAEDRO CC(C)[C@@H](F)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272496127 775923088 /nfs/dbraw/zinc/92/30/88/775923088.db2.gz LQXHCQGXURBVJO-MWLCHTKSSA-N 1 0 288.323 -1.313 20 30 CAEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272505582 775923602 /nfs/dbraw/zinc/92/36/02/775923602.db2.gz XSHXDSVLTWAPML-RKDXNWHRSA-N 1 0 256.306 -1.689 20 30 CAEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272503422 775923951 /nfs/dbraw/zinc/92/39/51/775923951.db2.gz CEGBCLGCERHXSM-UWVGGRQHSA-N 1 0 284.316 -2.616 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272504835 775924225 /nfs/dbraw/zinc/92/42/25/775924225.db2.gz RATCUCXQTASLKN-BDAKNGLRSA-N 1 0 256.306 -1.689 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001272504297 775924584 /nfs/dbraw/zinc/92/45/84/775924584.db2.gz MXBZKALTGXVLLJ-IUCAKERBSA-N 1 0 254.290 -2.242 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001272505579 775924823 /nfs/dbraw/zinc/92/48/23/775924823.db2.gz XSHXDSVLTWAPML-DTWKUNHWSA-N 1 0 256.306 -1.689 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001272505086 775925084 /nfs/dbraw/zinc/92/50/84/775925084.db2.gz SQQICNTYXILDQT-WDEREUQCSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001272513618 775925555 /nfs/dbraw/zinc/92/55/55/775925555.db2.gz QGIYICBBPRZALO-CABZTGNLSA-N 1 0 255.318 -1.092 20 30 CAEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O)c1 ZINC001272521220 775928344 /nfs/dbraw/zinc/92/83/44/775928344.db2.gz OICQSGNPMYMIBE-SKDRFNHKSA-N 1 0 290.323 -1.383 20 30 CAEDRO N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(N)=O)cc1 ZINC001272514244 775928503 /nfs/dbraw/zinc/92/85/03/775928503.db2.gz ULWUQBPSJFRDNV-NSHDSACASA-N 1 0 276.296 -1.390 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001272536525 775929843 /nfs/dbraw/zinc/92/98/43/775929843.db2.gz GENBKGYLGOOWCB-FRRDWIJNSA-N 1 0 293.367 -1.151 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001272536564 775929959 /nfs/dbraw/zinc/92/99/59/775929959.db2.gz GXPQFACDGZTKNP-VIFPVBQESA-N 1 0 276.358 -1.491 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001272536611 775930135 /nfs/dbraw/zinc/93/01/35/775930135.db2.gz HQEMSVNLZMIRCG-MRVPVSSYSA-N 1 0 296.283 -2.893 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001272530553 775930499 /nfs/dbraw/zinc/93/04/99/775930499.db2.gz XGKDTVAWRYIKNH-NEPJUHHUSA-N 1 0 293.367 -1.007 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001272536612 775930519 /nfs/dbraw/zinc/93/05/19/775930519.db2.gz HQEMSVNLZMIRCG-QMMMGPOBSA-N 1 0 296.283 -2.893 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001272528628 775930528 /nfs/dbraw/zinc/93/05/28/775930528.db2.gz CIFHKAOQFPRZOJ-WDEREUQCSA-N 1 0 294.355 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001272530556 775930936 /nfs/dbraw/zinc/93/09/36/775930936.db2.gz XGKDTVAWRYIKNH-VXGBXAGGSA-N 1 0 293.367 -1.007 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001272536492 775930983 /nfs/dbraw/zinc/93/09/83/775930983.db2.gz FNZRDUAQWQOBOP-VIFPVBQESA-N 1 0 294.311 -2.603 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001272546839 775932208 /nfs/dbraw/zinc/93/22/08/775932208.db2.gz VBJQZKARDWEMNB-VIFPVBQESA-N 1 0 267.285 -2.261 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001272545363 775932385 /nfs/dbraw/zinc/93/23/85/775932385.db2.gz NAXNTOOBUBYKBB-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001272560790 775933197 /nfs/dbraw/zinc/93/31/97/775933197.db2.gz TZJNRVMKFANAOJ-VIFPVBQESA-N 1 0 253.306 -1.010 20 30 CAEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001272561574 775934488 /nfs/dbraw/zinc/93/44/88/775934488.db2.gz YYKQQLQXVGXDOJ-UWVGGRQHSA-N 1 0 255.318 -1.092 20 30 CAEDRO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)nn1 ZINC001272553589 775934514 /nfs/dbraw/zinc/93/45/14/775934514.db2.gz QMXSCVMJVGGFPX-NSHDSACASA-N 1 0 295.343 -1.372 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001272559490 775934622 /nfs/dbraw/zinc/93/46/22/775934622.db2.gz JMKHNNOHVHLZOB-SECBINFHSA-N 1 0 251.290 -1.563 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001272567218 775935583 /nfs/dbraw/zinc/93/55/83/775935583.db2.gz MVOYAHVHUWJLAU-LLVKDONJSA-N 1 0 297.359 -1.467 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CS(=O)(=O)N(C)C ZINC001272567422 775935753 /nfs/dbraw/zinc/93/57/53/775935753.db2.gz QJZPQQMNPGGGSR-SNVBAGLBSA-N 1 0 293.389 -1.479 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001272566982 775936111 /nfs/dbraw/zinc/93/61/11/775936111.db2.gz IUKNSQOMXPINIJ-JTQLQIEISA-N 1 0 281.316 -2.410 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083711693 775937246 /nfs/dbraw/zinc/93/72/46/775937246.db2.gz SXWIBSRZVLRYQF-UTUOFQBUSA-N 1 0 279.340 -1.351 20 30 CAEDRO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083711692 775938762 /nfs/dbraw/zinc/93/87/62/775938762.db2.gz SXWIBSRZVLRYQF-TUAOUCFPSA-N 1 0 279.340 -1.351 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526633 775939053 /nfs/dbraw/zinc/93/90/53/775939053.db2.gz SUKQWXXGVLDPQZ-HTQZYQBOSA-N 1 0 250.262 -2.382 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001272575862 775941515 /nfs/dbraw/zinc/94/15/15/775941515.db2.gz SAXUXMHYGRFTTN-VHSXEESVSA-N 1 0 296.327 -1.935 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1nccnc1C(N)=O ZINC001272576300 775941843 /nfs/dbraw/zinc/94/18/43/775941843.db2.gz YHISXKDSVJYTLM-QMMMGPOBSA-N 1 0 277.284 -2.111 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001272575808 775941970 /nfs/dbraw/zinc/94/19/70/775941970.db2.gz RDANMHLTFJVRCQ-JTQLQIEISA-N 1 0 296.327 -2.030 20 30 CAEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COC ZINC001122338365 775946052 /nfs/dbraw/zinc/94/60/52/775946052.db2.gz ZNFPGGGTIIJRHE-VIFPVBQESA-N 1 0 286.332 -1.261 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001272584086 775948905 /nfs/dbraw/zinc/94/89/05/775948905.db2.gz LPYDBCPQCTWXPR-QWRGUYRKSA-N 1 0 277.328 -1.460 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)NC(C)=O ZINC001168481537 775953137 /nfs/dbraw/zinc/95/31/37/775953137.db2.gz VWPGNUJIODAVHA-UHFFFAOYSA-N 1 0 296.371 -1.254 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001272592619 775954732 /nfs/dbraw/zinc/95/47/32/775954732.db2.gz OTHASOKBRITCIS-QWRGUYRKSA-N 1 0 290.385 -1.243 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001272592620 775954785 /nfs/dbraw/zinc/95/47/85/775954785.db2.gz OTHASOKBRITCIS-WDEREUQCSA-N 1 0 290.385 -1.243 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cn(C)nn1 ZINC001272593349 775955487 /nfs/dbraw/zinc/95/54/87/775955487.db2.gz WVHZHPZRKBQUHB-LLVKDONJSA-N 1 0 265.317 -1.552 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)COC ZINC001272600560 775955579 /nfs/dbraw/zinc/95/55/79/775955579.db2.gz QVGGHVBYKQKNTF-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001106346678 775955591 /nfs/dbraw/zinc/95/55/91/775955591.db2.gz NJXUMBVCIDTYCD-VXGBXAGGSA-N 1 0 291.355 -1.101 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001106517374 775956462 /nfs/dbraw/zinc/95/64/62/775956462.db2.gz BQYFEGUAWUGUBP-CHWSQXEVSA-N 1 0 292.383 -1.265 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106608913 775958880 /nfs/dbraw/zinc/95/88/80/775958880.db2.gz IVUHDSZBMPHPGZ-GMTAPVOTSA-N 1 0 294.355 -1.706 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001106602833 775958970 /nfs/dbraw/zinc/95/89/70/775958970.db2.gz UFENMLUEEXSBBI-GMTAPVOTSA-N 1 0 264.329 -1.015 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106611724 775959450 /nfs/dbraw/zinc/95/94/50/775959450.db2.gz BWMLWJSCJKCMFR-GMTAPVOTSA-N 1 0 296.371 -1.154 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106611725 775959545 /nfs/dbraw/zinc/95/95/45/775959545.db2.gz BWMLWJSCJKCMFR-OUAUKWLOSA-N 1 0 296.371 -1.154 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001106609232 775959554 /nfs/dbraw/zinc/95/95/54/775959554.db2.gz SMHZFYHPIORHGR-NXEZZACHSA-N 1 0 280.328 -2.095 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC2)CCO1 ZINC001280555186 775961560 /nfs/dbraw/zinc/96/15/60/775961560.db2.gz CBVFLHGADAYLSE-LBPRGKRZSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC001280555184 775961810 /nfs/dbraw/zinc/96/18/10/775961810.db2.gz CBVFLHGADAYLSE-GFCCVEGCSA-N 1 0 279.340 -1.037 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001168504031 775964598 /nfs/dbraw/zinc/96/45/98/775964598.db2.gz PCWRDLLXDUEABZ-GFCCVEGCSA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001168503460 775965780 /nfs/dbraw/zinc/96/57/80/775965780.db2.gz KRJBIHUZRGDWPE-LLVKDONJSA-N 1 0 282.344 -1.514 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741059 775966416 /nfs/dbraw/zinc/96/64/16/775966416.db2.gz XDIKHPZJAHGAEK-YIZRAAEISA-N 1 0 254.290 -1.985 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740947 775967215 /nfs/dbraw/zinc/96/72/15/775967215.db2.gz UNPKHQSCPOAWAV-HLTSFMKQSA-N 1 0 252.274 -2.538 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740948 775968286 /nfs/dbraw/zinc/96/82/86/775968286.db2.gz UNPKHQSCPOAWAV-YIZRAAEISA-N 1 0 252.274 -2.538 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCn1cccn1 ZINC001123712312 775978329 /nfs/dbraw/zinc/97/83/29/775978329.db2.gz IMUAVYTYSKAJMA-UHFFFAOYSA-N 1 0 278.316 -1.381 20 30 CAEDRO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001280566104 775978597 /nfs/dbraw/zinc/97/85/97/775978597.db2.gz KYRHKIBHYRIMCK-VXGBXAGGSA-N 1 0 285.344 -1.028 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127433355 775979680 /nfs/dbraw/zinc/97/96/80/775979680.db2.gz NDOXCDYSXRCKFH-UHFFFAOYSA-N 1 0 265.277 -2.872 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127449762 775984663 /nfs/dbraw/zinc/98/46/63/775984663.db2.gz RMKUWJKQRARONA-VIFPVBQESA-N 1 0 281.320 -1.930 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CNC(=O)OC ZINC001272673973 775991577 /nfs/dbraw/zinc/99/15/77/775991577.db2.gz YPJPTAGGBKEZHV-SNVBAGLBSA-N 1 0 298.343 -1.424 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127571454 775993977 /nfs/dbraw/zinc/99/39/77/775993977.db2.gz SFBCXYAWROUFGR-GHMZBOCLSA-N 1 0 296.371 -1.091 20 30 CAEDRO CCO[C@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124141432 775994354 /nfs/dbraw/zinc/99/43/54/775994354.db2.gz UWLOXSBUQIMBGP-UWVGGRQHSA-N 1 0 268.317 -1.243 20 30 CAEDRO CCO[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124141434 775994434 /nfs/dbraw/zinc/99/44/34/775994434.db2.gz UWLOXSBUQIMBGP-VHSXEESVSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)c1ccnn1C ZINC001127582719 775995381 /nfs/dbraw/zinc/99/53/81/775995381.db2.gz JNGMZCWVDIYUDE-LLVKDONJSA-N 1 0 291.355 -1.021 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653459 775999670 /nfs/dbraw/zinc/99/96/70/775999670.db2.gz XHQCHKQAHYOSSS-UHFFFAOYSA-N 1 0 264.289 -1.894 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124367256 776000284 /nfs/dbraw/zinc/00/02/84/776000284.db2.gz STDGMNQDRVXABO-VIFPVBQESA-N 1 0 291.373 -1.573 20 30 CAEDRO C#CCN1CC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038595454 776001201 /nfs/dbraw/zinc/00/12/01/776001201.db2.gz FHYMSUQPCMPZBH-NXEZZACHSA-N 1 0 250.302 -1.166 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)[C@@H](O)C1 ZINC001083770129 776002011 /nfs/dbraw/zinc/00/20/11/776002011.db2.gz UUMDUDMTYWOQKO-UTUOFQBUSA-N 1 0 279.340 -1.160 20 30 CAEDRO C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001127685106 776002157 /nfs/dbraw/zinc/00/21/57/776002157.db2.gz CJSIJQWZYWIYRF-GHMZBOCLSA-N 1 0 281.360 -1.328 20 30 CAEDRO CC(C)OCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124425125 776002275 /nfs/dbraw/zinc/00/22/75/776002275.db2.gz RZACPTVOSWEXPG-UHFFFAOYSA-N 1 0 256.306 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)OC ZINC001124557158 776006478 /nfs/dbraw/zinc/00/64/78/776006478.db2.gz WHHCELMEJKSVKS-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)OC ZINC001124594957 776006676 /nfs/dbraw/zinc/00/66/76/776006676.db2.gz QTYVISIHMRDBTB-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001124664549 776008592 /nfs/dbraw/zinc/00/85/92/776008592.db2.gz XKLXIRNBRVEPEG-VHSXEESVSA-N 1 0 283.328 -1.197 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCOC1 ZINC001124687386 776009857 /nfs/dbraw/zinc/00/98/57/776009857.db2.gz VFSXVBVJNGLUOC-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCOC1 ZINC001124686469 776010193 /nfs/dbraw/zinc/01/01/93/776010193.db2.gz MKVWETJDKDRYPE-SNVBAGLBSA-N 1 0 268.317 -1.241 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCOC1 ZINC001124686468 776010275 /nfs/dbraw/zinc/01/02/75/776010275.db2.gz MKVWETJDKDRYPE-JTQLQIEISA-N 1 0 268.317 -1.241 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC(=O)NCC ZINC001124732479 776010889 /nfs/dbraw/zinc/01/08/89/776010889.db2.gz OAQCVEAYDGVUFP-LLVKDONJSA-N 1 0 296.371 -1.254 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124768412 776010873 /nfs/dbraw/zinc/01/08/73/776010873.db2.gz ZHBQEOSIGRRKPT-UHFFFAOYSA-N 1 0 270.333 -1.080 20 30 CAEDRO COC[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124748950 776011074 /nfs/dbraw/zinc/01/10/74/776011074.db2.gz MFGMDQBSAJUJLM-VIFPVBQESA-N 1 0 256.306 -1.386 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCC=C ZINC001124765071 776011355 /nfs/dbraw/zinc/01/13/55/776011355.db2.gz JWURSEYDLONOSK-UHFFFAOYSA-N 1 0 253.302 -1.356 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124768252 776011554 /nfs/dbraw/zinc/01/15/54/776011554.db2.gz WPRAABLEBBJQNS-LBPRGKRZSA-N 1 0 299.371 -1.122 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001124765087 776012285 /nfs/dbraw/zinc/01/22/85/776012285.db2.gz KOZRNDDFUJERGD-UHFFFAOYSA-N 1 0 298.343 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCC(=O)NCC ZINC001124726923 776012514 /nfs/dbraw/zinc/01/25/14/776012514.db2.gz METAOWNBEPQQHA-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001124773403 776013492 /nfs/dbraw/zinc/01/34/92/776013492.db2.gz QYNQOPMLDVBCEI-VIFPVBQESA-N 1 0 286.332 -1.261 20 30 CAEDRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]1 ZINC001124819175 776013864 /nfs/dbraw/zinc/01/38/64/776013864.db2.gz ONKSSALPGUWMAG-UHFFFAOYSA-N 1 0 264.289 -1.323 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001106991453 776014204 /nfs/dbraw/zinc/01/42/04/776014204.db2.gz BWCFIIOPCBAOOR-UTUOFQBUSA-N 1 0 299.396 -1.005 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)CC ZINC001124883658 776015306 /nfs/dbraw/zinc/01/53/06/776015306.db2.gz SZQPONCAMCJBDJ-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001124888149 776015660 /nfs/dbraw/zinc/01/56/60/776015660.db2.gz FJFJMPQOUOISDZ-JTQLQIEISA-N 1 0 268.317 -1.289 20 30 CAEDRO CCC(=O)NCC(=O)NCC[NH2+]CC#CCOC ZINC001124855291 776015736 /nfs/dbraw/zinc/01/57/36/776015736.db2.gz HMXJJHXHJIWLJW-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124888319 776016360 /nfs/dbraw/zinc/01/63/60/776016360.db2.gz GPROIUSKGPHRDK-SSDOTTSWSA-N 1 0 255.278 -1.693 20 30 CAEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908980 776016957 /nfs/dbraw/zinc/01/69/57/776016957.db2.gz XEALQWFWGAXEAA-SFYZADRCSA-N 1 0 269.305 -1.304 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124898067 776016992 /nfs/dbraw/zinc/01/69/92/776016992.db2.gz YERHNQGYMBMBJC-SFYZADRCSA-N 1 0 252.274 -1.343 20 30 CAEDRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N)C(=O)N(C)C ZINC001124908686 776017251 /nfs/dbraw/zinc/01/72/51/776017251.db2.gz PDQOCIKEOGPTMH-VHSXEESVSA-N 1 0 297.359 -1.555 20 30 CAEDRO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001124908931 776017321 /nfs/dbraw/zinc/01/73/21/776017321.db2.gz VTQSWKZKOQLCSP-VIFPVBQESA-N 1 0 293.327 -1.551 20 30 CAEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908979 776017440 /nfs/dbraw/zinc/01/74/40/776017440.db2.gz XEALQWFWGAXEAA-JGVFFNPUSA-N 1 0 269.305 -1.304 20 30 CAEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908978 776017871 /nfs/dbraw/zinc/01/78/71/776017871.db2.gz XEALQWFWGAXEAA-HTQZYQBOSA-N 1 0 269.305 -1.304 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908512 776017898 /nfs/dbraw/zinc/01/78/98/776017898.db2.gz MKSVKXWHEWEMEM-UWVGGRQHSA-N 1 0 250.302 -1.010 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124901932 776018149 /nfs/dbraw/zinc/01/81/49/776018149.db2.gz FNCNYGWAFOAYJJ-NXEZZACHSA-N 1 0 296.327 -1.638 20 30 CAEDRO CC(C)(C)C(=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124976468 776018831 /nfs/dbraw/zinc/01/88/31/776018831.db2.gz ASPYLOIRSUBKDW-UHFFFAOYSA-N 1 0 268.317 -1.053 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)nc1C ZINC001124968272 776020190 /nfs/dbraw/zinc/02/01/90/776020190.db2.gz ZCBVMNAKSWKREN-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO Cc1[nH]nc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1C ZINC001125061873 776020705 /nfs/dbraw/zinc/02/07/05/776020705.db2.gz RXQRUAFWQWGLHF-UHFFFAOYSA-N 1 0 278.316 -1.014 20 30 CAEDRO Cc1cc(CC(=O)NCC[NH2+]CC(=O)NCC#N)no1 ZINC001124999042 776021668 /nfs/dbraw/zinc/02/16/68/776021668.db2.gz CCYFZILSNAELAI-UHFFFAOYSA-N 1 0 279.300 -1.129 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(N)=O ZINC001125079741 776024103 /nfs/dbraw/zinc/02/41/03/776024103.db2.gz IGPCJDYJTUSUNC-UHFFFAOYSA-N 1 0 285.304 -2.421 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125175430 776027377 /nfs/dbraw/zinc/02/73/77/776027377.db2.gz SUSRSMHRKQCSJP-UHFFFAOYSA-N 1 0 278.316 -1.808 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125203975 776028153 /nfs/dbraw/zinc/02/81/53/776028153.db2.gz WPLFPEQEJQEZLV-NEPJUHHUSA-N 1 0 298.387 -1.287 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCOC1 ZINC001125119163 776028485 /nfs/dbraw/zinc/02/84/85/776028485.db2.gz ZSBBQCZLKQKDAI-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125227254 776029536 /nfs/dbraw/zinc/02/95/36/776029536.db2.gz PHEFLYJOSHYIRF-NWDGAFQWSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125227257 776030097 /nfs/dbraw/zinc/03/00/97/776030097.db2.gz PHEFLYJOSHYIRF-VXGBXAGGSA-N 1 0 296.371 -1.839 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125227250 776030697 /nfs/dbraw/zinc/03/06/97/776030697.db2.gz PHEFLYJOSHYIRF-NEPJUHHUSA-N 1 0 296.371 -1.839 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125220650 776031460 /nfs/dbraw/zinc/03/14/60/776031460.db2.gz KJUCCUAMGVJUFC-LBPRGKRZSA-N 1 0 269.345 -1.327 20 30 CAEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620099 776035993 /nfs/dbraw/zinc/03/59/93/776035993.db2.gz KGCPKIHJWDDQOT-RYUDHWBXSA-N 1 0 277.328 -1.195 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783499 776039181 /nfs/dbraw/zinc/03/91/81/776039181.db2.gz WEQHPVWODKROCA-YTWAJWBKSA-N 1 0 267.329 -1.155 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598955 776040483 /nfs/dbraw/zinc/04/04/83/776040483.db2.gz IWYDLACSCOKXTL-OPRDCNLKSA-N 1 0 266.301 -2.148 20 30 CAEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077599399 776043796 /nfs/dbraw/zinc/04/37/96/776043796.db2.gz WOIRNMDZHWNCBE-GMTAPVOTSA-N 1 0 282.344 -1.205 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001077658997 776053678 /nfs/dbraw/zinc/05/36/78/776053678.db2.gz UUMDUDMTYWOQKO-QJPTWQEYSA-N 1 0 279.340 -1.160 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001077667221 776055810 /nfs/dbraw/zinc/05/58/10/776055810.db2.gz QXRCFDFNAANCON-JTNHKYCSSA-N 1 0 279.340 -1.303 20 30 CAEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CCCCC1 ZINC001115701690 776058722 /nfs/dbraw/zinc/05/87/22/776058722.db2.gz ABNQSOTYYBTSLO-UHFFFAOYSA-N 1 0 294.355 -1.370 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686239 776059007 /nfs/dbraw/zinc/05/90/07/776059007.db2.gz CGNGLSGBEWVGJS-LMLFDSFASA-N 1 0 267.329 -1.155 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127946245 776073973 /nfs/dbraw/zinc/07/39/73/776073973.db2.gz ITXVPXGJKTWKAR-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127974708 776074697 /nfs/dbraw/zinc/07/46/97/776074697.db2.gz ZNLOEVJDLSEBMF-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127974705 776075643 /nfs/dbraw/zinc/07/56/43/776075643.db2.gz ZNLOEVJDLSEBMF-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)NC(=O)CC ZINC001127974707 776075665 /nfs/dbraw/zinc/07/56/65/776075665.db2.gz ZNLOEVJDLSEBMF-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(=O)CC ZINC001127979333 776076911 /nfs/dbraw/zinc/07/69/11/776076911.db2.gz SCVMQSUBFYUDHP-JTQLQIEISA-N 1 0 284.360 -1.091 20 30 CAEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001272791310 776079023 /nfs/dbraw/zinc/07/90/23/776079023.db2.gz PZNZPGXNZFJDAF-JTQLQIEISA-N 1 0 292.343 -1.115 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127992377 776080427 /nfs/dbraw/zinc/08/04/27/776080427.db2.gz CUMXMOVAYYIJIY-NSHDSACASA-N 1 0 285.344 -1.507 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083789941 776081152 /nfs/dbraw/zinc/08/11/52/776081152.db2.gz GJALDBYDIJUZJJ-WYUUTHIRSA-N 1 0 270.329 -1.269 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC001168607459 776081619 /nfs/dbraw/zinc/08/16/19/776081619.db2.gz TZPDTVURJILFML-UHFFFAOYSA-N 1 0 296.327 -1.716 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC001168607156 776082040 /nfs/dbraw/zinc/08/20/40/776082040.db2.gz QGYKZEQFSPGFAC-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO C=CCNC(=O)CN1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099611416 776085887 /nfs/dbraw/zinc/08/58/87/776085887.db2.gz QOBFYRNZWZFLFU-WDEREUQCSA-N 1 0 255.318 -1.140 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC001168624172 776089827 /nfs/dbraw/zinc/08/98/27/776089827.db2.gz BWHKLZAONIIGTD-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853027 776095708 /nfs/dbraw/zinc/09/57/08/776095708.db2.gz GRFCYJJSPHUTAU-NXEZZACHSA-N 1 0 296.327 -1.724 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077903210 776099967 /nfs/dbraw/zinc/09/99/67/776099967.db2.gz RXVCHUXZFHHHQK-VXGBXAGGSA-N 1 0 290.323 -1.088 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128105285 776101908 /nfs/dbraw/zinc/10/19/08/776101908.db2.gz VPZNYFOJEQGZAY-UHFFFAOYSA-N 1 0 289.357 -1.961 20 30 CAEDRO N#CCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013182 776111559 /nfs/dbraw/zinc/11/15/59/776111559.db2.gz VZRKXKAKRPFOBK-GHMZBOCLSA-N 1 0 264.329 -1.233 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013005 776114312 /nfs/dbraw/zinc/11/43/12/776114312.db2.gz MVEFHSFDYNIXTA-VXGBXAGGSA-N 1 0 263.341 -1.123 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078034448 776114738 /nfs/dbraw/zinc/11/47/38/776114738.db2.gz FCKSZXBKSSBNGM-HBNTYKKESA-N 1 0 265.313 -1.550 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001078105584 776118360 /nfs/dbraw/zinc/11/83/60/776118360.db2.gz GSCFTAJCPOTRTG-UPJWGTAASA-N 1 0 295.339 -1.972 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078150474 776128927 /nfs/dbraw/zinc/12/89/27/776128927.db2.gz BBDOOZPYNLRCPA-GHMZBOCLSA-N 1 0 293.323 -1.680 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174612 776129651 /nfs/dbraw/zinc/12/96/51/776129651.db2.gz QIICCZJUSITTPV-QJPTWQEYSA-N 1 0 251.330 -1.267 20 30 CAEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174611 776131080 /nfs/dbraw/zinc/13/10/80/776131080.db2.gz QIICCZJUSITTPV-IJLUTSLNSA-N 1 0 251.330 -1.267 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001078240791 776136092 /nfs/dbraw/zinc/13/60/92/776136092.db2.gz INCNEDHZLDJBNY-ZYHUDNBSSA-N 1 0 292.339 -1.478 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001078290606 776137003 /nfs/dbraw/zinc/13/70/03/776137003.db2.gz MPGZQGGNJMMAFW-BFHYXJOUSA-N 1 0 295.383 -1.108 20 30 CAEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001078289145 776138216 /nfs/dbraw/zinc/13/82/16/776138216.db2.gz FSIGXMQITODDLQ-HBNTYKKESA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099635638 776140110 /nfs/dbraw/zinc/14/01/10/776140110.db2.gz HGVLOAQOXFQBEH-NEPJUHHUSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1nccn1 ZINC001128269414 776155448 /nfs/dbraw/zinc/15/54/48/776155448.db2.gz LHLWPZIBHLECBB-UHFFFAOYSA-N 1 0 264.289 -2.267 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1ccncn1 ZINC001128427557 776167360 /nfs/dbraw/zinc/16/73/60/776167360.db2.gz HMJCPJAAPDBNKW-UHFFFAOYSA-N 1 0 290.327 -1.245 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1ccncn1 ZINC001128428702 776168331 /nfs/dbraw/zinc/16/83/31/776168331.db2.gz VIKFTWRYDRJIDG-UHFFFAOYSA-N 1 0 289.339 -1.136 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128595229 776199748 /nfs/dbraw/zinc/19/97/48/776199748.db2.gz VKQOKUNGINYJJN-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001272993449 776172022 /nfs/dbraw/zinc/17/20/22/776172022.db2.gz ICOGUPCJXVBXEE-SSDOTTSWSA-N 1 0 255.278 -2.404 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128608771 776199797 /nfs/dbraw/zinc/19/97/97/776199797.db2.gz AZRMITYAXORJLW-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820278 776175370 /nfs/dbraw/zinc/17/53/70/776175370.db2.gz CIKKKZPFXGINIL-AEJSXWLSSA-N 1 0 296.327 -1.678 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055820 776176466 /nfs/dbraw/zinc/17/64/66/776176466.db2.gz YYUXKWBXFWDUKH-MNOVXSKESA-N 1 0 278.316 -1.752 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055821 776176491 /nfs/dbraw/zinc/17/64/91/776176491.db2.gz YYUXKWBXFWDUKH-QWRGUYRKSA-N 1 0 278.316 -1.752 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC001128618878 776201365 /nfs/dbraw/zinc/20/13/65/776201365.db2.gz DEYRJCPMSLINJB-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054570 776176980 /nfs/dbraw/zinc/17/69/80/776176980.db2.gz KIZBFYJBJTYWCI-QWRGUYRKSA-N 1 0 278.316 -1.752 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055819 776177195 /nfs/dbraw/zinc/17/71/95/776177195.db2.gz YYUXKWBXFWDUKH-GHMZBOCLSA-N 1 0 278.316 -1.752 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054939 776177233 /nfs/dbraw/zinc/17/72/33/776177233.db2.gz NJWOATQYDRXBBH-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056345 776178415 /nfs/dbraw/zinc/17/84/15/776178415.db2.gz FWUSPYJTXHBXOZ-ZJUUUORDSA-N 1 0 266.305 -1.590 20 30 CAEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001273051982 776186958 /nfs/dbraw/zinc/18/69/58/776186958.db2.gz ICSMFFRVDPXLNO-SNVBAGLBSA-N 1 0 292.339 -1.185 20 30 CAEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cnon1 ZINC001273083956 776190398 /nfs/dbraw/zinc/19/03/98/776190398.db2.gz XSEZJQYELRVFMH-SECBINFHSA-N 1 0 279.300 -1.083 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666165 776195314 /nfs/dbraw/zinc/19/53/14/776195314.db2.gz QUUGDPXHIHSCTP-IUCAKERBSA-N 1 0 256.306 -1.608 20 30 CAEDRO CC(C)C(=O)N(C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128584923 776197264 /nfs/dbraw/zinc/19/72/64/776197264.db2.gz OAUYQFLIFOMZEB-UHFFFAOYSA-N 1 0 297.359 -1.554 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128603171 776199253 /nfs/dbraw/zinc/19/92/53/776199253.db2.gz BMODGBYQYXGACP-UHFFFAOYSA-N 1 0 291.373 -1.719 20 30 CAEDRO CCS(=O)(=O)NCC(=O)NCC[NH2+]CC#CCOC ZINC001128594709 776199615 /nfs/dbraw/zinc/19/96/15/776199615.db2.gz KZPQAABDAFOYIQ-UHFFFAOYSA-N 1 0 291.373 -1.719 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128609371 776201173 /nfs/dbraw/zinc/20/11/73/776201173.db2.gz XQHFKZUMXBSISY-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC001128629754 776201698 /nfs/dbraw/zinc/20/16/98/776201698.db2.gz WQPRABGHPMRLEE-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001128642848 776201775 /nfs/dbraw/zinc/20/17/75/776201775.db2.gz BCFVDGPHWQIVET-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128664255 776204035 /nfs/dbraw/zinc/20/40/35/776204035.db2.gz CJTWFJPNNRAMMT-LLVKDONJSA-N 1 0 267.329 -1.180 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128672488 776204906 /nfs/dbraw/zinc/20/49/06/776204906.db2.gz HZJIREHOPLYFIQ-MNOVXSKESA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128671706 776205251 /nfs/dbraw/zinc/20/52/51/776205251.db2.gz DHKAAFTUYHIMCQ-WDEREUQCSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128671704 776205712 /nfs/dbraw/zinc/20/57/12/776205712.db2.gz DHKAAFTUYHIMCQ-MNOVXSKESA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128672490 776205793 /nfs/dbraw/zinc/20/57/93/776205793.db2.gz HZJIREHOPLYFIQ-WDEREUQCSA-N 1 0 296.371 -1.139 20 30 CAEDRO COCC(=O)NCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128686017 776207005 /nfs/dbraw/zinc/20/70/05/776207005.db2.gz LAWZXZGIGNNWKR-UHFFFAOYSA-N 1 0 299.331 -2.515 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083856245 776210537 /nfs/dbraw/zinc/21/05/37/776210537.db2.gz SEOBRCMCZWWUCW-UTUOFQBUSA-N 1 0 279.340 -1.160 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128727339 776211165 /nfs/dbraw/zinc/21/11/65/776211165.db2.gz FZPGHYAVTCCXJP-NSHDSACASA-N 1 0 295.339 -1.121 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128768879 776212424 /nfs/dbraw/zinc/21/24/24/776212424.db2.gz FHEHXGHGUZCVES-UHFFFAOYSA-N 1 0 278.312 -1.724 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858505 776212859 /nfs/dbraw/zinc/21/28/59/776212859.db2.gz GDOIJQGLADQYND-MNOVXSKESA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814766 776217465 /nfs/dbraw/zinc/21/74/65/776217465.db2.gz WLMWGOKOKYPSDU-UHFFFAOYSA-N 1 0 259.331 -1.639 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CNC(=O)NC ZINC001128800118 776217941 /nfs/dbraw/zinc/21/79/41/776217941.db2.gz OGGMGIXBCMLOGJ-VIFPVBQESA-N 1 0 285.348 -1.688 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090203704 776222301 /nfs/dbraw/zinc/22/23/01/776222301.db2.gz IYILMACZABIQJY-KBPBESRZSA-N 1 0 295.383 -1.107 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090198316 776223150 /nfs/dbraw/zinc/22/31/50/776223150.db2.gz WNNDQDDDSNRQPJ-UWVGGRQHSA-N 1 0 281.316 -1.279 20 30 CAEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090198547 776223551 /nfs/dbraw/zinc/22/35/51/776223551.db2.gz YZSBFFIIKHUOEL-GHMZBOCLSA-N 1 0 293.327 -1.442 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090203706 776223697 /nfs/dbraw/zinc/22/36/97/776223697.db2.gz IYILMACZABIQJY-UONOGXRCSA-N 1 0 295.383 -1.107 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090205123 776224873 /nfs/dbraw/zinc/22/48/73/776224873.db2.gz ZUTJXRRFTHSLCP-ZIAGYGMSSA-N 1 0 295.383 -1.107 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090205121 776225298 /nfs/dbraw/zinc/22/52/98/776225298.db2.gz ZUTJXRRFTHSLCP-KGLIPLIRSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn2c1CCC2 ZINC001128923267 776225593 /nfs/dbraw/zinc/22/55/93/776225593.db2.gz WQEBYROSCJAMDN-UHFFFAOYSA-N 1 0 289.339 -1.102 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090205122 776225615 /nfs/dbraw/zinc/22/56/15/776225615.db2.gz ZUTJXRRFTHSLCP-UONOGXRCSA-N 1 0 295.383 -1.107 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(F)CCOCC1 ZINC001128977557 776229612 /nfs/dbraw/zinc/22/96/12/776229612.db2.gz OMQWYKREQWJULT-UHFFFAOYSA-N 1 0 286.307 -1.149 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128986358 776234479 /nfs/dbraw/zinc/23/44/79/776234479.db2.gz SXPXQCOBJOADDL-UHFFFAOYSA-N 1 0 278.316 -1.312 20 30 CAEDRO C#CCC1(C(=O)NCC[NH2+]CC(N)=O)CCOCC1 ZINC001129117056 776244983 /nfs/dbraw/zinc/24/49/83/776244983.db2.gz PVHVKDLNSDXGIP-UHFFFAOYSA-N 1 0 267.329 -1.002 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129255151 776247752 /nfs/dbraw/zinc/24/77/52/776247752.db2.gz GMEMGJMXUKNJGN-LLVKDONJSA-N 1 0 294.355 -1.642 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129262307 776249436 /nfs/dbraw/zinc/24/94/36/776249436.db2.gz MZEPBBACECWPAW-SNVBAGLBSA-N 1 0 295.343 -1.752 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129262874 776249552 /nfs/dbraw/zinc/24/95/52/776249552.db2.gz TVUWYOGLLVVCSU-NSHDSACASA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868919 776250261 /nfs/dbraw/zinc/25/02/61/776250261.db2.gz DTBSIWMWEXCYDT-ZJUUUORDSA-N 1 0 294.311 -2.277 20 30 CAEDRO CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108168916 776257465 /nfs/dbraw/zinc/25/74/65/776257465.db2.gz HXDDWSCTHINUSI-BXUZGUMPSA-N 1 0 294.355 -1.102 20 30 CAEDRO N#CCSCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099687091 776257695 /nfs/dbraw/zinc/25/76/95/776257695.db2.gz PFXZKANWEUBPFL-VHSXEESVSA-N 1 0 273.358 -1.213 20 30 CAEDRO CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108168919 776257879 /nfs/dbraw/zinc/25/78/79/776257879.db2.gz HXDDWSCTHINUSI-SMDDNHRTSA-N 1 0 294.355 -1.102 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268071 776259820 /nfs/dbraw/zinc/25/98/20/776259820.db2.gz GMRPANPZKFXNFP-NXEZZACHSA-N 1 0 266.305 -1.590 20 30 CAEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270025 776261580 /nfs/dbraw/zinc/26/15/80/776261580.db2.gz VMZASVKCYLMUPL-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001118204077 776269297 /nfs/dbraw/zinc/26/92/97/776269297.db2.gz ZUGRKECFSZQGKM-RKDXNWHRSA-N 1 0 277.284 -1.846 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129297372 776274842 /nfs/dbraw/zinc/27/48/42/776274842.db2.gz MDAMWLLTQVWCRI-JTQLQIEISA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129303996 776276200 /nfs/dbraw/zinc/27/62/00/776276200.db2.gz MXKTVQYRNKWPDQ-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001090292325 776283415 /nfs/dbraw/zinc/28/34/15/776283415.db2.gz OCPSUCDLVKYKIB-QWRGUYRKSA-N 1 0 288.369 -1.232 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298512 776286937 /nfs/dbraw/zinc/28/69/37/776286937.db2.gz QFOUPXGNEXSXTP-NWDGAFQWSA-N 1 0 277.328 -1.147 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001090325998 776292439 /nfs/dbraw/zinc/29/24/39/776292439.db2.gz GPGYYYRLURDIEI-NWDGAFQWSA-N 1 0 297.355 -1.417 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001090325997 776292555 /nfs/dbraw/zinc/29/25/55/776292555.db2.gz GPGYYYRLURDIEI-NEPJUHHUSA-N 1 0 297.355 -1.417 20 30 CAEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099707912 776318474 /nfs/dbraw/zinc/31/84/74/776318474.db2.gz WYJSWKUAQUMCDY-GHMZBOCLSA-N 1 0 283.328 -1.083 20 30 CAEDRO CC#CC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099707919 776318286 /nfs/dbraw/zinc/31/82/86/776318286.db2.gz WYJSWKUAQUMCDY-QWRGUYRKSA-N 1 0 283.328 -1.083 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080258008 776320763 /nfs/dbraw/zinc/32/07/63/776320763.db2.gz KLDOHAXSFFYJAD-CHWSQXEVSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001080359261 776323545 /nfs/dbraw/zinc/32/35/45/776323545.db2.gz GTFKIKZJJACCLK-OPRDCNLKSA-N 1 0 250.302 -1.263 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC001118490304 776324197 /nfs/dbraw/zinc/32/41/97/776324197.db2.gz GDVFCIWBMSAGGL-RUETXSTFSA-N 1 0 278.312 -1.394 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080634857 776332416 /nfs/dbraw/zinc/33/24/16/776332416.db2.gz PFPNQMWACAZKNW-NXEZZACHSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906962 776340795 /nfs/dbraw/zinc/34/07/95/776340795.db2.gz UIYBGFQKRBDWHG-NXEZZACHSA-N 1 0 278.312 -1.392 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001080959956 776341574 /nfs/dbraw/zinc/34/15/74/776341574.db2.gz XVVOJHUHHSRMPT-GMTAPVOTSA-N 1 0 285.369 -1.252 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](OC)C1 ZINC001081612438 776380036 /nfs/dbraw/zinc/38/00/36/776380036.db2.gz LAMTYCSBFRRAMF-GMTAPVOTSA-N 1 0 281.312 -1.067 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001082023421 776401423 /nfs/dbraw/zinc/40/14/23/776401423.db2.gz KFOLSESYRUKHRU-IJLUTSLNSA-N 1 0 294.355 -1.151 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@H](OC)C1 ZINC001082023363 776401541 /nfs/dbraw/zinc/40/15/41/776401541.db2.gz INGKSUNVPAJBMD-IJLUTSLNSA-N 1 0 279.340 -1.039 20 30 CAEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090372849 776411756 /nfs/dbraw/zinc/41/17/56/776411756.db2.gz AVSUHMLGGCDCJF-WDEREUQCSA-N 1 0 295.343 -1.681 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC001118902494 776417140 /nfs/dbraw/zinc/41/71/40/776417140.db2.gz MHVGISPTNDLIDB-VHSXEESVSA-N 1 0 253.302 -1.347 20 30 CAEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716329 776421242 /nfs/dbraw/zinc/42/12/42/776421242.db2.gz BIHWTYPLWLNBJT-OUAUKWLOSA-N 1 0 294.355 -1.305 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716328 776421666 /nfs/dbraw/zinc/42/16/66/776421666.db2.gz BIHWTYPLWLNBJT-GMTAPVOTSA-N 1 0 294.355 -1.305 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001082769584 776422202 /nfs/dbraw/zinc/42/22/02/776422202.db2.gz FSRCRIXUUFFFNA-KXUCPTDWSA-N 1 0 278.312 -1.346 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001090390088 776426131 /nfs/dbraw/zinc/42/61/31/776426131.db2.gz FKNIHWSGLSSQAI-VXGBXAGGSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001090390085 776426896 /nfs/dbraw/zinc/42/68/96/776426896.db2.gz FKNIHWSGLSSQAI-NEPJUHHUSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001090390086 776427399 /nfs/dbraw/zinc/42/73/99/776427399.db2.gz FKNIHWSGLSSQAI-NWDGAFQWSA-N 1 0 294.355 -1.414 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001082995992 776428560 /nfs/dbraw/zinc/42/85/60/776428560.db2.gz GXWFLVPARPPRAW-NWDGAFQWSA-N 1 0 290.327 -1.392 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099788009 776431337 /nfs/dbraw/zinc/43/13/37/776431337.db2.gz ARIHQNFJOQSCLX-VXGBXAGGSA-N 1 0 297.355 -1.940 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099789789 776432453 /nfs/dbraw/zinc/43/24/53/776432453.db2.gz RUHLGDSZNLBZFY-WDEREUQCSA-N 1 0 283.328 -2.330 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC#CC)C[C@H]1O ZINC001099790250 776432866 /nfs/dbraw/zinc/43/28/66/776432866.db2.gz ZNZBBXSAWXZWFB-CHWSQXEVSA-N 1 0 291.351 -1.299 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC#CC)C[C@@H]1O ZINC001099790253 776433447 /nfs/dbraw/zinc/43/34/47/776433447.db2.gz ZNZBBXSAWXZWFB-STQMWFEESA-N 1 0 291.351 -1.299 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791685 776435317 /nfs/dbraw/zinc/43/53/17/776435317.db2.gz IZCFFMITPGFIPN-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035976 776440795 /nfs/dbraw/zinc/44/07/95/776440795.db2.gz KVGWUWXOSDXQSA-ZJUUUORDSA-N 1 0 294.311 -2.277 20 30 CAEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036106 776440812 /nfs/dbraw/zinc/44/08/12/776440812.db2.gz QQMCXNLIVQTGGT-ZJUUUORDSA-N 1 0 296.327 -1.724 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001119357810 776442243 /nfs/dbraw/zinc/44/22/43/776442243.db2.gz RZLCWEOOXXZQIY-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@@H](O)C1 ZINC001084098293 776448374 /nfs/dbraw/zinc/44/83/74/776448374.db2.gz ADWWKDJCEJIUIN-UPJWGTAASA-N 1 0 279.340 -1.208 20 30 CAEDRO C=CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084098040 776448662 /nfs/dbraw/zinc/44/86/62/776448662.db2.gz POMUWHSVJPROOO-KOLCDFICSA-N 1 0 280.328 -1.315 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001084127724 776448979 /nfs/dbraw/zinc/44/89/79/776448979.db2.gz WAJVAXMUSYNDBE-XQQFMLRXSA-N 1 0 281.356 -1.498 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129070 776450660 /nfs/dbraw/zinc/45/06/60/776450660.db2.gz FSIGXMQITODDLQ-AXFHLTTASA-N 1 0 295.339 -1.223 20 30 CAEDRO CCN(C(=O)C(=O)N1CCO[C@H](C#N)C1)[C@H]1CC[NH2+]C1 ZINC001119439251 776455954 /nfs/dbraw/zinc/45/59/54/776455954.db2.gz SHFIHGJHKLZLMT-WDEREUQCSA-N 1 0 280.328 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001273226988 776458478 /nfs/dbraw/zinc/45/84/78/776458478.db2.gz SKKQQGKXTPNIGL-VXGBXAGGSA-N 1 0 297.355 -1.412 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813170 776458501 /nfs/dbraw/zinc/45/85/01/776458501.db2.gz KXBSWWBVOIZOFJ-NEPJUHHUSA-N 1 0 296.371 -1.120 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001273226985 776459076 /nfs/dbraw/zinc/45/90/76/776459076.db2.gz SKKQQGKXTPNIGL-NWDGAFQWSA-N 1 0 297.355 -1.412 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001273226983 776459347 /nfs/dbraw/zinc/45/93/47/776459347.db2.gz SKKQQGKXTPNIGL-NEPJUHHUSA-N 1 0 297.355 -1.412 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001273226986 776459766 /nfs/dbraw/zinc/45/97/66/776459766.db2.gz SKKQQGKXTPNIGL-RYUDHWBXSA-N 1 0 297.355 -1.412 20 30 CAEDRO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099826161 776460339 /nfs/dbraw/zinc/46/03/39/776460339.db2.gz HBPUOXHYNNFNII-KGLIPLIRSA-N 1 0 296.367 -1.040 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099835885 776461171 /nfs/dbraw/zinc/46/11/71/776461171.db2.gz QRIYRUCORAARRJ-VXGBXAGGSA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099835883 776461246 /nfs/dbraw/zinc/46/12/46/776461246.db2.gz QRIYRUCORAARRJ-NWDGAFQWSA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099835884 776461263 /nfs/dbraw/zinc/46/12/63/776461263.db2.gz QRIYRUCORAARRJ-RYUDHWBXSA-N 1 0 270.329 -1.430 20 30 CAEDRO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099826160 776461422 /nfs/dbraw/zinc/46/14/22/776461422.db2.gz HBPUOXHYNNFNII-KBPBESRZSA-N 1 0 296.367 -1.040 20 30 CAEDRO C=CCOCC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001273238705 776462802 /nfs/dbraw/zinc/46/28/02/776462802.db2.gz ZEIJTZSIPGGBPO-GHMZBOCLSA-N 1 0 285.344 -1.120 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)NC[C@@]2(CO)COCCN2)CC1 ZINC000820365070 776464042 /nfs/dbraw/zinc/46/40/42/776464042.db2.gz KKOLUHWQAQSBJD-OAHLLOKOSA-N 1 0 295.383 -1.201 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001273251886 776466048 /nfs/dbraw/zinc/46/60/48/776466048.db2.gz OCXDPJGAJSFALK-SNVBAGLBSA-N 1 0 263.301 -1.121 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCO1 ZINC001273260814 776467485 /nfs/dbraw/zinc/46/74/85/776467485.db2.gz MYLUEVMFQCLYJN-QWRGUYRKSA-N 1 0 282.344 -1.117 20 30 CAEDRO Cc1nn(CC(=O)NCC#CC[NH+](C)C)c(=O)n1C ZINC000823675031 776468890 /nfs/dbraw/zinc/46/88/90/776468890.db2.gz VPFQDKYIEKYNPP-UHFFFAOYSA-N 1 0 265.317 -1.429 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001273308166 776477911 /nfs/dbraw/zinc/47/79/11/776477911.db2.gz HMLIUZXTYUCOJO-SNVBAGLBSA-N 1 0 265.313 -1.298 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001098367428 776480689 /nfs/dbraw/zinc/48/06/89/776480689.db2.gz BDOQHZQCWGFUML-UHFFFAOYSA-N 1 0 292.343 -1.408 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099969017 776481949 /nfs/dbraw/zinc/48/19/49/776481949.db2.gz FSEYGHGQAPWLAT-QWHCGFSZSA-N 1 0 292.339 -1.017 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154820023 776482365 /nfs/dbraw/zinc/48/23/65/776482365.db2.gz UZOVZOWHVCYVNZ-UHFFFAOYSA-N 1 0 282.344 -1.690 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)=O ZINC001154819993 776482419 /nfs/dbraw/zinc/48/24/19/776482419.db2.gz URUZPXCDVRNNIE-UHFFFAOYSA-N 1 0 284.360 -1.137 20 30 CAEDRO C#CCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099969013 776482496 /nfs/dbraw/zinc/48/24/96/776482496.db2.gz FSEYGHGQAPWLAT-OLZOCXBDSA-N 1 0 292.339 -1.017 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCO1 ZINC001154878382 776483397 /nfs/dbraw/zinc/48/33/97/776483397.db2.gz JOHBVADSLZUGQN-SNVBAGLBSA-N 1 0 284.316 -1.863 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974324 776483563 /nfs/dbraw/zinc/48/35/63/776483563.db2.gz PYAAEHOCSYIYSR-VHSXEESVSA-N 1 0 271.317 -1.774 20 30 CAEDRO C=CCCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973855 776483861 /nfs/dbraw/zinc/48/38/61/776483861.db2.gz JXWJCQPSJWIIHS-VHSXEESVSA-N 1 0 255.318 -1.011 20 30 CAEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974320 776483949 /nfs/dbraw/zinc/48/39/49/776483949.db2.gz PYAAEHOCSYIYSR-NXEZZACHSA-N 1 0 271.317 -1.774 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)CNC(=O)NC)CC1 ZINC001098386188 776487754 /nfs/dbraw/zinc/48/77/54/776487754.db2.gz MWKMTNGJRBWVAL-UHFFFAOYSA-N 1 0 296.371 -1.166 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1 ZINC001273365230 776494070 /nfs/dbraw/zinc/49/40/70/776494070.db2.gz CYWVKWXOFHHZOW-RYUDHWBXSA-N 1 0 294.355 -1.020 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046326 776504016 /nfs/dbraw/zinc/50/40/16/776504016.db2.gz KKYOXZVRTUEDKK-NWDGAFQWSA-N 1 0 292.343 -1.362 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001086278981 776504792 /nfs/dbraw/zinc/50/47/92/776504792.db2.gz YWVCXFGBHCKYNM-AOOOYVTPSA-N 1 0 290.327 -1.505 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001155828924 776509513 /nfs/dbraw/zinc/50/95/13/776509513.db2.gz TZNHGMBXSDDMQL-QMMMGPOBSA-N 1 0 266.305 -1.136 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCCOC ZINC001155881575 776511859 /nfs/dbraw/zinc/51/18/59/776511859.db2.gz SNAFQSGDVSYMLQ-GFCCVEGCSA-N 1 0 299.371 -1.117 20 30 CAEDRO Cc1c(C(=O)NCCC[NH2+]CC(=O)NCC#N)nnn1C ZINC001156106641 776513040 /nfs/dbraw/zinc/51/30/40/776513040.db2.gz CKANKRRSXSYWNT-UHFFFAOYSA-N 1 0 293.331 -1.527 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1nnc[nH]1 ZINC001168789058 776514998 /nfs/dbraw/zinc/51/49/98/776514998.db2.gz DYHZVFMOSROKQO-UHFFFAOYSA-N 1 0 265.277 -1.846 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1nnc[nH]1 ZINC001168781527 776515851 /nfs/dbraw/zinc/51/58/51/776515851.db2.gz LQDAXKIXIGRRKA-UHFFFAOYSA-N 1 0 266.305 -1.184 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ncccn1 ZINC001168943245 776520118 /nfs/dbraw/zinc/52/01/18/776520118.db2.gz VTMGGPOZTCPPIN-UHFFFAOYSA-N 1 0 276.300 -1.174 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1ncc[nH]1 ZINC001169203907 776521616 /nfs/dbraw/zinc/52/16/16/776521616.db2.gz DMJIYFRAPRCQHH-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn(CC)nn1 ZINC001169567650 776532940 /nfs/dbraw/zinc/53/29/40/776532940.db2.gz ULOUUHWEXHFDMJ-UHFFFAOYSA-N 1 0 292.343 -1.243 20 30 CAEDRO CCn1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)nn1 ZINC001169585893 776533140 /nfs/dbraw/zinc/53/31/40/776533140.db2.gz KIGMZGSIMRJZPK-UHFFFAOYSA-N 1 0 293.331 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC(N)=O ZINC001169898605 776537446 /nfs/dbraw/zinc/53/74/46/776537446.db2.gz CZAANXSGKKFBTB-LLVKDONJSA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CCN1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569354 776538323 /nfs/dbraw/zinc/53/83/23/776538323.db2.gz FWQOMHCIEHFRQJ-GFCCVEGCSA-N 1 0 292.383 -1.027 20 30 CAEDRO C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)CC(N)=O ZINC001169928879 776540054 /nfs/dbraw/zinc/54/00/54/776540054.db2.gz YESQYHAFAYTBMR-SNVBAGLBSA-N 1 0 297.359 -1.234 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108754694 776540589 /nfs/dbraw/zinc/54/05/89/776540589.db2.gz LCRLGJSRBSCUTR-DCAQKATOSA-N 1 0 294.355 -1.257 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108752622 776540779 /nfs/dbraw/zinc/54/07/79/776540779.db2.gz NWCPHODAQYZXOX-AXFHLTTASA-N 1 0 292.339 -1.810 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001108754597 776541260 /nfs/dbraw/zinc/54/12/60/776541260.db2.gz IJNQJIGTQIPVIL-AEJSXWLSSA-N 1 0 293.327 -1.919 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001156517420 776543762 /nfs/dbraw/zinc/54/37/62/776543762.db2.gz SYNFWEUFORMUJR-SNVBAGLBSA-N 1 0 295.343 -1.752 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn(C)cn1 ZINC001156557318 776545629 /nfs/dbraw/zinc/54/56/29/776545629.db2.gz AJIYSDDHMFYTNG-UHFFFAOYSA-N 1 0 277.328 -1.121 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1COC(=O)C1 ZINC001156571855 776546967 /nfs/dbraw/zinc/54/69/67/776546967.db2.gz ZKIMBVJIBLONDU-SNVBAGLBSA-N 1 0 296.327 -1.325 20 30 CAEDRO N#CCc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc[nH+]1 ZINC001169978121 776547038 /nfs/dbraw/zinc/54/70/38/776547038.db2.gz UZKUPVXKYQRKMR-VEGXAWMVSA-N 1 0 295.295 -2.219 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCN1C ZINC001156812163 776551544 /nfs/dbraw/zinc/55/15/44/776551544.db2.gz QQXVNWIJWZAPEW-GFCCVEGCSA-N 1 0 298.387 -1.285 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001156857600 776551745 /nfs/dbraw/zinc/55/17/45/776551745.db2.gz XBTSJCPEAMHCGV-SNVBAGLBSA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001156857602 776552715 /nfs/dbraw/zinc/55/27/15/776552715.db2.gz XEZGTHKGJHPQRV-UHFFFAOYSA-N 1 0 292.343 -1.450 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@@H](CC)C(N)=O ZINC001156853113 776552824 /nfs/dbraw/zinc/55/28/24/776552824.db2.gz YVKPZLOROJRJQU-JTQLQIEISA-N 1 0 282.344 -1.514 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157354784 776573821 /nfs/dbraw/zinc/57/38/21/776573821.db2.gz UDHXVEHIXJMUDG-QMMMGPOBSA-N 1 0 283.288 -2.170 20 30 CAEDRO C[C@@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001170104894 776577584 /nfs/dbraw/zinc/57/75/84/776577584.db2.gz NYOWGTPRUNGKGX-AFTWZWCASA-N 1 0 261.318 -1.593 20 30 CAEDRO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001098463297 776577919 /nfs/dbraw/zinc/57/79/19/776577919.db2.gz IXERSAYAICVGKE-GFCCVEGCSA-N 1 0 294.355 -1.414 20 30 CAEDRO C=CCOCC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465191 776580220 /nfs/dbraw/zinc/58/02/20/776580220.db2.gz AZOZRDITDCZVJL-UHFFFAOYSA-N 1 0 299.371 -1.040 20 30 CAEDRO CC#CC[N@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465497 776584284 /nfs/dbraw/zinc/58/42/84/776584284.db2.gz SIRBXCMJKWZMNC-UHFFFAOYSA-N 1 0 267.329 -1.220 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113757369 776593806 /nfs/dbraw/zinc/59/38/06/776593806.db2.gz KKVXXYMWFXUSDK-DCQANWLSSA-N 1 0 279.340 -1.183 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)(C#N)C1 ZINC001157694714 776596720 /nfs/dbraw/zinc/59/67/20/776596720.db2.gz WSUYCFSRIQCHKN-YUMQZZPRSA-N 1 0 281.316 -1.934 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001170310391 776599997 /nfs/dbraw/zinc/59/99/97/776599997.db2.gz HRXGTCROHUBYDF-NSHDSACASA-N 1 0 296.371 -1.124 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834346 776600251 /nfs/dbraw/zinc/60/02/51/776600251.db2.gz UAZRUFHINLWIEG-PJXYFTJBSA-N 1 0 290.327 -1.631 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CCC(=O)NC1=O ZINC001170339255 776600395 /nfs/dbraw/zinc/60/03/95/776600395.db2.gz ABHWWGAJNHZSMS-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100984 776612311 /nfs/dbraw/zinc/61/23/11/776612311.db2.gz HNPFKSUKYSRCJF-QISWUMQESA-N 1 0 292.339 -1.954 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114101880 776612598 /nfs/dbraw/zinc/61/25/98/776612598.db2.gz XLWYROVTGPSHSO-DNJQJEMRSA-N 1 0 294.355 -1.401 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100981 776612772 /nfs/dbraw/zinc/61/27/72/776612772.db2.gz HNPFKSUKYSRCJF-DNJQJEMRSA-N 1 0 292.339 -1.954 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114160074 776613457 /nfs/dbraw/zinc/61/34/57/776613457.db2.gz QXNVDXMPEDIUDR-PUHVVEEASA-N 1 0 279.340 -1.447 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#C)C[C@H]21 ZINC001114157824 776614029 /nfs/dbraw/zinc/61/40/29/776614029.db2.gz LMGZROOJWVMVLI-YABSGUDNSA-N 1 0 259.309 -1.195 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114170409 776615145 /nfs/dbraw/zinc/61/51/45/776615145.db2.gz PZFBSCPDJYZIQW-IWIIMEHWSA-N 1 0 265.313 -1.835 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130327247 776650359 /nfs/dbraw/zinc/65/03/59/776650359.db2.gz PXQQDJYXYLXGBG-JTQLQIEISA-N 1 0 276.358 -1.225 20 30 CAEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114203655 776617505 /nfs/dbraw/zinc/61/75/05/776617505.db2.gz HFTCXMKMPSVNIX-WHOHXGKFSA-N 1 0 293.323 -1.209 20 30 CAEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114273406 776618019 /nfs/dbraw/zinc/61/80/19/776618019.db2.gz MCWIQISYPYQNAM-PJXYFTJBSA-N 1 0 299.396 -1.005 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114266331 776619742 /nfs/dbraw/zinc/61/97/42/776619742.db2.gz NXXDZWZCCWLDOF-KZVDOYCCSA-N 1 0 291.351 -1.039 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001157870016 776621063 /nfs/dbraw/zinc/62/10/63/776621063.db2.gz VQCMGNYRCZQEKE-MNOVXSKESA-N 1 0 295.339 -1.074 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129526055 776621198 /nfs/dbraw/zinc/62/11/98/776621198.db2.gz YHNKUDRKGJBFPT-NEPJUHHUSA-N 1 0 292.343 -1.058 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001157870014 776621211 /nfs/dbraw/zinc/62/12/11/776621211.db2.gz VQCMGNYRCZQEKE-GHMZBOCLSA-N 1 0 295.339 -1.074 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001157859177 776621227 /nfs/dbraw/zinc/62/12/27/776621227.db2.gz AAOUSZSENBVHRJ-UHFFFAOYSA-N 1 0 298.343 -1.422 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129568788 776622673 /nfs/dbraw/zinc/62/26/73/776622673.db2.gz CKMFWSYBFPVFNU-UHFFFAOYSA-N 1 0 283.328 -1.799 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129573651 776624693 /nfs/dbraw/zinc/62/46/93/776624693.db2.gz GYWZBFLGCWAJTA-UHFFFAOYSA-N 1 0 253.302 -1.426 20 30 CAEDRO Cc1nn(C)cc1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129591812 776624856 /nfs/dbraw/zinc/62/48/56/776624856.db2.gz JAIXWKLNPRQNAQ-UHFFFAOYSA-N 1 0 292.343 -1.383 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129574244 776625023 /nfs/dbraw/zinc/62/50/23/776625023.db2.gz ZIXYLLZQOOTPKX-UHFFFAOYSA-N 1 0 285.344 -1.246 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129755713 776625794 /nfs/dbraw/zinc/62/57/94/776625794.db2.gz UKAVTQMPDGCHBJ-QMMMGPOBSA-N 1 0 254.290 -1.134 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129703912 776625944 /nfs/dbraw/zinc/62/59/44/776625944.db2.gz OFHLXIUWHALUMO-MNOVXSKESA-N 1 0 290.327 -1.482 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc2n1CCC2 ZINC001129761861 776626119 /nfs/dbraw/zinc/62/61/19/776626119.db2.gz DPGYSFZDPUFIOF-UHFFFAOYSA-N 1 0 289.339 -1.102 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743119 776626336 /nfs/dbraw/zinc/62/63/36/776626336.db2.gz HJSUUJNXQZOBLK-QMMMGPOBSA-N 1 0 295.299 -2.960 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnc2n1CCC2 ZINC001129760340 776626603 /nfs/dbraw/zinc/62/66/03/776626603.db2.gz ZPUOLHAKTSZSRZ-UHFFFAOYSA-N 1 0 290.327 -1.212 20 30 CAEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001129771306 776627405 /nfs/dbraw/zinc/62/74/05/776627405.db2.gz VIDKGRILYGUWCH-MNOVXSKESA-N 1 0 266.345 -1.336 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129810271 776628777 /nfs/dbraw/zinc/62/87/77/776628777.db2.gz TVCQXRWFHYRJCR-UHFFFAOYSA-N 1 0 293.327 -1.598 20 30 CAEDRO C[C@@H]1OCCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129802844 776628850 /nfs/dbraw/zinc/62/88/50/776628850.db2.gz PYSJAXMFEGCTGY-ONGXEEELSA-N 1 0 284.316 -1.864 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802499 776629028 /nfs/dbraw/zinc/62/90/28/776629028.db2.gz IMUGTSJSOFTJLC-JQWIXIFHSA-N 1 0 283.328 -1.755 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1nc(CC)c[nH]1 ZINC001129818191 776629457 /nfs/dbraw/zinc/62/94/57/776629457.db2.gz DCMBYBIFSCICIS-UHFFFAOYSA-N 1 0 291.355 -1.030 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129810467 776629630 /nfs/dbraw/zinc/62/96/30/776629630.db2.gz YEEVDIKOWITBCI-SRVKXCTJSA-N 1 0 297.355 -1.366 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129926790 776632148 /nfs/dbraw/zinc/63/21/48/776632148.db2.gz GEPFDMNHIFTCPA-SNVBAGLBSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129926789 776632306 /nfs/dbraw/zinc/63/23/06/776632306.db2.gz GEPFDMNHIFTCPA-JTQLQIEISA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129935105 776632358 /nfs/dbraw/zinc/63/23/58/776632358.db2.gz FTRZBHTXYYALDQ-SECBINFHSA-N 1 0 284.360 -1.106 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129893576 776632412 /nfs/dbraw/zinc/63/24/12/776632412.db2.gz VRZOUBCCTDXRIT-GHMZBOCLSA-N 1 0 289.339 -1.032 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C(C)(C)C(N)=O ZINC001129924124 776632481 /nfs/dbraw/zinc/63/24/81/776632481.db2.gz MWDIASRXGWOYMI-UHFFFAOYSA-N 1 0 255.318 -1.147 20 30 CAEDRO Cc1cc(OCC(=O)NCC[NH2+]CC(=O)NCC#N)no1 ZINC001129913169 776632608 /nfs/dbraw/zinc/63/26/08/776632608.db2.gz QYBRMZWJTKVIAW-UHFFFAOYSA-N 1 0 295.299 -1.293 20 30 CAEDRO CC(C)(C(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129931313 776634314 /nfs/dbraw/zinc/63/43/14/776634314.db2.gz QTCOCDDEFOBXOA-UHFFFAOYSA-N 1 0 269.305 -2.157 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129953537 776634398 /nfs/dbraw/zinc/63/43/98/776634398.db2.gz KMQJYQSASUESRU-VIFPVBQESA-N 1 0 281.316 -2.142 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129958214 776635796 /nfs/dbraw/zinc/63/57/96/776635796.db2.gz ZKMBGAJCOXXWTF-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129958215 776636392 /nfs/dbraw/zinc/63/63/92/776636392.db2.gz ZKMBGAJCOXXWTF-WDEREUQCSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129994077 776637674 /nfs/dbraw/zinc/63/76/74/776637674.db2.gz VCBXXJVSEPGYHU-VIFPVBQESA-N 1 0 291.311 -1.361 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129996200 776638067 /nfs/dbraw/zinc/63/80/67/776638067.db2.gz FUAZIIILRMFCFL-UHFFFAOYSA-N 1 0 279.300 -1.507 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988052 776638099 /nfs/dbraw/zinc/63/80/99/776638099.db2.gz GIBZZDFLBQMNDM-ZJUUUORDSA-N 1 0 276.300 -1.872 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129998237 776638118 /nfs/dbraw/zinc/63/81/18/776638118.db2.gz WKMFNZYTRBVHSW-SECBINFHSA-N 1 0 293.327 -1.119 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041328 776638628 /nfs/dbraw/zinc/63/86/28/776638628.db2.gz JANDXTWLYSRFON-NSHDSACASA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041147 776638841 /nfs/dbraw/zinc/63/88/41/776638841.db2.gz CIUWKQALSMFLAV-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130074451 776641743 /nfs/dbraw/zinc/64/17/43/776641743.db2.gz UCUCRSKHZCGOOU-SECBINFHSA-N 1 0 291.311 -1.361 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CCS(=O)(=O)NC ZINC001157912291 776642564 /nfs/dbraw/zinc/64/25/64/776642564.db2.gz NBKATYUAENYQOK-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130200157 776646283 /nfs/dbraw/zinc/64/62/83/776646283.db2.gz FCNNFDKBNQAYIM-AWEZNQCLSA-N 1 0 294.355 -1.642 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130200667 776646588 /nfs/dbraw/zinc/64/65/88/776646588.db2.gz MYKCGGPLJOXHOP-AWEZNQCLSA-N 1 0 296.371 -1.089 20 30 CAEDRO CS(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130326987 776650461 /nfs/dbraw/zinc/65/04/61/776650461.db2.gz GZURKJRECAXTTL-UHFFFAOYSA-N 1 0 290.345 -2.233 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130361962 776651930 /nfs/dbraw/zinc/65/19/30/776651930.db2.gz AGADQSMQKHCUKA-LLVKDONJSA-N 1 0 296.371 -1.137 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130364585 776652785 /nfs/dbraw/zinc/65/27/85/776652785.db2.gz QUOBWIURZFDIHE-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130364586 776653475 /nfs/dbraw/zinc/65/34/75/776653475.db2.gz QUOBWIURZFDIHE-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130381983 776654888 /nfs/dbraw/zinc/65/48/88/776654888.db2.gz RJCKPFWDFRMEIB-UHFFFAOYSA-N 1 0 254.290 -2.422 20 30 CAEDRO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418733 776655757 /nfs/dbraw/zinc/65/57/57/776655757.db2.gz WMMBDYVHOFBNNM-VIFPVBQESA-N 1 0 275.312 -1.066 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130384584 776655803 /nfs/dbraw/zinc/65/58/03/776655803.db2.gz KHFQMMPPLWVMFH-UHFFFAOYSA-N 1 0 270.333 -1.479 20 30 CAEDRO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418732 776656553 /nfs/dbraw/zinc/65/65/53/776656553.db2.gz WMMBDYVHOFBNNM-SECBINFHSA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001130443595 776656595 /nfs/dbraw/zinc/65/65/95/776656595.db2.gz XFSKLGJEKNUHPO-VIFPVBQESA-N 1 0 263.301 -1.115 20 30 CAEDRO C[C@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CO1 ZINC001130503372 776657666 /nfs/dbraw/zinc/65/76/66/776657666.db2.gz HVSJRRFCEYYEQX-UWVGGRQHSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC001130503128 776658117 /nfs/dbraw/zinc/65/81/17/776658117.db2.gz GEWHMNCBEMYONG-MNOVXSKESA-N 1 0 267.329 -1.133 20 30 CAEDRO N#C[C@@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157982551 776659134 /nfs/dbraw/zinc/65/91/34/776659134.db2.gz OQLGZFUMGVXWGR-ZJUUUORDSA-N 1 0 265.317 -1.740 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130551666 776659688 /nfs/dbraw/zinc/65/96/88/776659688.db2.gz XJXCAXJMYQRURZ-UHFFFAOYSA-N 1 0 252.318 -1.901 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC ZINC001130611405 776662151 /nfs/dbraw/zinc/66/21/51/776662151.db2.gz AQZKSHQASMPQBU-GFCCVEGCSA-N 1 0 296.371 -1.838 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591165 776662256 /nfs/dbraw/zinc/66/22/56/776662256.db2.gz VHLSSTRENSNSGL-UHFFFAOYSA-N 1 0 253.306 -1.136 20 30 CAEDRO CCN1CCOC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130612278 776662312 /nfs/dbraw/zinc/66/23/12/776662312.db2.gz PGUSSYFHUBGMFY-NSHDSACASA-N 1 0 297.359 -1.947 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCN1CC ZINC001130611775 776662735 /nfs/dbraw/zinc/66/27/35/776662735.db2.gz IBKVKELFVBGLLO-GFCCVEGCSA-N 1 0 298.387 -1.285 20 30 CAEDRO C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC(=O)N1 ZINC001130669630 776665370 /nfs/dbraw/zinc/66/53/70/776665370.db2.gz FLCDMHPTRKGNHJ-VHSXEESVSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC(=O)N1 ZINC001130669628 776665389 /nfs/dbraw/zinc/66/53/89/776665389.db2.gz FLCDMHPTRKGNHJ-UWVGGRQHSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001130670732 776665448 /nfs/dbraw/zinc/66/54/48/776665448.db2.gz RAACROJXLZLEEC-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130659481 776665585 /nfs/dbraw/zinc/66/55/85/776665585.db2.gz NXCXMDJESGOFTJ-CMPLNLGQSA-N 1 0 289.339 -1.187 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130659111 776665838 /nfs/dbraw/zinc/66/58/38/776665838.db2.gz FAYCOLUYSFSKEA-CMPLNLGQSA-N 1 0 289.339 -1.187 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705462 776667149 /nfs/dbraw/zinc/66/71/49/776667149.db2.gz DYAFLIWEBMCMPV-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001130670916 776667178 /nfs/dbraw/zinc/66/71/78/776667178.db2.gz VJYPRFSFPHNWMO-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705557 776667525 /nfs/dbraw/zinc/66/75/25/776667525.db2.gz GTAUMAQYVHKQGW-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130699030 776668407 /nfs/dbraw/zinc/66/84/07/776668407.db2.gz ABKPDZSQWNBFSH-SECBINFHSA-N 1 0 281.316 -2.142 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130702306 776669088 /nfs/dbraw/zinc/66/90/88/776669088.db2.gz KKWYKMAIJQMPOG-SNVBAGLBSA-N 1 0 280.328 -2.032 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130745784 776671053 /nfs/dbraw/zinc/67/10/53/776671053.db2.gz MOGYDQKBCGIPFP-UHFFFAOYSA-N 1 0 295.303 -1.864 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCCC1=O ZINC001130759195 776672179 /nfs/dbraw/zinc/67/21/79/776672179.db2.gz GYLYMYYMWNTDAG-UHFFFAOYSA-N 1 0 294.355 -1.546 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130751816 776672334 /nfs/dbraw/zinc/67/23/34/776672334.db2.gz KSUOAJIPLYFWBV-QMMMGPOBSA-N 1 0 266.305 -1.185 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cn[nH]n2)C1=O ZINC001130749201 776672486 /nfs/dbraw/zinc/67/24/86/776672486.db2.gz YHAVLYWPWCXUOH-SECBINFHSA-N 1 0 278.316 -1.089 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn[nH]n1 ZINC001130751815 776672756 /nfs/dbraw/zinc/67/27/56/776672756.db2.gz KSUOAJIPLYFWBV-MRVPVSSYSA-N 1 0 266.305 -1.185 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130781411 776673489 /nfs/dbraw/zinc/67/34/89/776673489.db2.gz CUOLFUSTJTZJAR-UHFFFAOYSA-N 1 0 296.331 -2.253 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130784238 776673580 /nfs/dbraw/zinc/67/35/80/776673580.db2.gz INLFURAEROHXCJ-UHFFFAOYSA-N 1 0 295.343 -2.143 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130784196 776674184 /nfs/dbraw/zinc/67/41/84/776674184.db2.gz HCUALIGDJLIWGM-UHFFFAOYSA-N 1 0 282.344 -1.243 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN(C)CC(=O)NC(C)C ZINC001130790742 776674263 /nfs/dbraw/zinc/67/42/63/776674263.db2.gz ACHKSGPNROXJHJ-UHFFFAOYSA-N 1 0 268.361 -1.218 20 30 CAEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090496536 776676935 /nfs/dbraw/zinc/67/69/35/776676935.db2.gz QPLBTAQDOHABLP-UWVGGRQHSA-N 1 0 280.332 -1.049 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090496306 776677385 /nfs/dbraw/zinc/67/73/85/776677385.db2.gz OHLVKKBSJNFDCX-ZJUUUORDSA-N 1 0 278.316 -1.602 20 30 CAEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090496305 776677592 /nfs/dbraw/zinc/67/75/92/776677592.db2.gz OHLVKKBSJNFDCX-VHSXEESVSA-N 1 0 278.316 -1.602 20 30 CAEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090496303 776677766 /nfs/dbraw/zinc/67/77/66/776677766.db2.gz OHLVKKBSJNFDCX-NXEZZACHSA-N 1 0 278.316 -1.602 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130938918 776678426 /nfs/dbraw/zinc/67/84/26/776678426.db2.gz XCFUHYVRVMDGDM-UHFFFAOYSA-N 1 0 296.327 -1.143 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130938629 776678643 /nfs/dbraw/zinc/67/86/43/776678643.db2.gz OUKLNCSFVNKBKD-UHFFFAOYSA-N 1 0 264.285 -1.322 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001131001304 776680787 /nfs/dbraw/zinc/68/07/87/776680787.db2.gz WBHLEJISXHZNOT-LLVKDONJSA-N 1 0 288.369 -1.223 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CCN1C(=O)CCC1=O ZINC001130994608 776680866 /nfs/dbraw/zinc/68/08/66/776680866.db2.gz JPETYJVXZJMEMQ-UHFFFAOYSA-N 1 0 251.286 -1.136 20 30 CAEDRO C#CC[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944414 776681010 /nfs/dbraw/zinc/68/10/10/776681010.db2.gz NKMAYLPUVZTNTK-UHFFFAOYSA-N 1 0 250.258 -1.712 20 30 CAEDRO N#C[C@@H](Nc1nccnc1N1CC[NH2+]CC1)C(N)=O ZINC001170531570 776681845 /nfs/dbraw/zinc/68/18/45/776681845.db2.gz QAOLIWMWURBWOO-MRVPVSSYSA-N 1 0 261.289 -1.324 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131064827 776683121 /nfs/dbraw/zinc/68/31/21/776683121.db2.gz VFHDNZGVVSOKCX-GHMZBOCLSA-N 1 0 289.339 -1.187 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C(N)=O)o1 ZINC001131099315 776683244 /nfs/dbraw/zinc/68/32/44/776683244.db2.gz FLTRYEKKRRCAMB-UHFFFAOYSA-N 1 0 293.283 -1.662 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131100161 776684058 /nfs/dbraw/zinc/68/40/58/776684058.db2.gz QHRXWZZQCSGUDO-NSHDSACASA-N 1 0 294.355 -1.500 20 30 CAEDRO Cc1cc(C)n(CC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001131064915 776684131 /nfs/dbraw/zinc/68/41/31/776684131.db2.gz WIZIPPLFYGRRHQ-UHFFFAOYSA-N 1 0 292.343 -1.154 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131104236 776684869 /nfs/dbraw/zinc/68/48/69/776684869.db2.gz TVDYYWWTNJCFLI-SNVBAGLBSA-N 1 0 295.343 -1.609 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ncc(OC)cn1 ZINC001131123489 776685162 /nfs/dbraw/zinc/68/51/62/776685162.db2.gz FFGGFGQTRFLVGH-UHFFFAOYSA-N 1 0 291.311 -1.446 20 30 CAEDRO Cn1ccc(=O)c(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001131159763 776686583 /nfs/dbraw/zinc/68/65/83/776686583.db2.gz JDNTYVBFIBCCHW-UHFFFAOYSA-N 1 0 291.311 -1.656 20 30 CAEDRO COCC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001131310712 776688057 /nfs/dbraw/zinc/68/80/57/776688057.db2.gz BDJNJBXXCMZSLQ-UHFFFAOYSA-N 1 0 268.317 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(COC)CC1 ZINC001131310965 776688419 /nfs/dbraw/zinc/68/84/19/776688419.db2.gz JJTNGLFSSAVCKQ-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090498932 776688550 /nfs/dbraw/zinc/68/85/50/776688550.db2.gz FKVAJBASYQSBPY-UWVGGRQHSA-N 1 0 280.332 -1.049 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001131453532 776691882 /nfs/dbraw/zinc/69/18/82/776691882.db2.gz QXQRVROZYCMNAQ-UHFFFAOYSA-N 1 0 290.323 -1.215 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cncc1C ZINC001131380159 776692113 /nfs/dbraw/zinc/69/21/13/776692113.db2.gz DVHBTBUIDVBVII-UHFFFAOYSA-N 1 0 277.328 -1.353 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1CCCCS1(=O)=O ZINC001131387420 776692355 /nfs/dbraw/zinc/69/23/55/776692355.db2.gz OLCYQHNXDAXPGZ-UHFFFAOYSA-N 1 0 273.358 -1.249 20 30 CAEDRO C[C@H]1CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001131536803 776692896 /nfs/dbraw/zinc/69/28/96/776692896.db2.gz QLRIYUUGBQKIBS-ZJUUUORDSA-N 1 0 268.317 -1.243 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001131526793 776694026 /nfs/dbraw/zinc/69/40/26/776694026.db2.gz FGBSWIIOKIXPHW-QWRGUYRKSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131624737 776695848 /nfs/dbraw/zinc/69/58/48/776695848.db2.gz NOORAODVKVBIHB-UHFFFAOYSA-N 1 0 292.343 -1.704 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131684285 776698507 /nfs/dbraw/zinc/69/85/07/776698507.db2.gz DNCMWSPCUMSKSV-CYBMUJFWSA-N 1 0 280.328 -2.032 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131684705 776698585 /nfs/dbraw/zinc/69/85/85/776698585.db2.gz LAYYRKJSDQVOJB-CYBMUJFWSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131681139 776698689 /nfs/dbraw/zinc/69/86/89/776698689.db2.gz WFQKRYHFOOTLSJ-QMTHXVAHSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131681063 776699330 /nfs/dbraw/zinc/69/93/30/776699330.db2.gz UVRHXNQYXFBBRG-IINYFYTJSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131681137 776699374 /nfs/dbraw/zinc/69/93/74/776699374.db2.gz WFQKRYHFOOTLSJ-HZMBPMFUSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131681065 776699390 /nfs/dbraw/zinc/69/93/90/776699390.db2.gz UVRHXNQYXFBBRG-YGRLFVJLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131763303 776701636 /nfs/dbraw/zinc/70/16/36/776701636.db2.gz SAPKWAIZJCGIEL-UHFFFAOYSA-N 1 0 253.306 -1.136 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001158449680 776701731 /nfs/dbraw/zinc/70/17/31/776701731.db2.gz GPGGCEKHZZKONN-GWCFXTLKSA-N 1 0 280.328 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCC(F)F ZINC001131765742 776701990 /nfs/dbraw/zinc/70/19/90/776701990.db2.gz JRGHUGXXYDJAFM-UHFFFAOYSA-N 1 0 277.271 -1.277 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131762436 776702232 /nfs/dbraw/zinc/70/22/32/776702232.db2.gz ASJWBFBYCAURIU-UHFFFAOYSA-N 1 0 251.290 -1.689 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840956 776704309 /nfs/dbraw/zinc/70/43/09/776704309.db2.gz XRUPNFKMXYOKBV-NSHDSACASA-N 1 0 296.371 -1.089 20 30 CAEDRO C=C(C)CC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131831861 776705310 /nfs/dbraw/zinc/70/53/10/776705310.db2.gz STSDNGKDHIRSFA-UHFFFAOYSA-N 1 0 278.378 -1.288 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131831436 776705352 /nfs/dbraw/zinc/70/53/52/776705352.db2.gz CGLJDGLYJWMDAW-UHFFFAOYSA-N 1 0 294.377 -2.051 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001131881040 776707855 /nfs/dbraw/zinc/70/78/55/776707855.db2.gz ODHFGZIJLWMKRP-YPMHNXCESA-N 1 0 297.355 -1.507 20 30 CAEDRO CO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCOC1 ZINC001131881861 776708360 /nfs/dbraw/zinc/70/83/60/776708360.db2.gz VAZVJMJHYFEGFS-CMPLNLGQSA-N 1 0 298.343 -1.617 20 30 CAEDRO CO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCOC1 ZINC001131881864 776709475 /nfs/dbraw/zinc/70/94/75/776709475.db2.gz VAZVJMJHYFEGFS-ZYHUDNBSSA-N 1 0 298.343 -1.617 20 30 CAEDRO Cc1nn(C)c(C)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132049883 776713429 /nfs/dbraw/zinc/71/34/29/776713429.db2.gz SWWINJAMNJNYEK-UHFFFAOYSA-N 1 0 292.343 -1.004 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnco1 ZINC001132030179 776713881 /nfs/dbraw/zinc/71/38/81/776713881.db2.gz OBQLARPYSINVOO-UHFFFAOYSA-N 1 0 250.258 -1.257 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCn1ccnc1 ZINC001132079646 776714138 /nfs/dbraw/zinc/71/41/38/776714138.db2.gz GCEQAQYGLNWSGR-UHFFFAOYSA-N 1 0 277.328 -1.272 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132209493 776715202 /nfs/dbraw/zinc/71/52/02/776715202.db2.gz CTADYIHKBMBYDF-UHFFFAOYSA-N 1 0 264.289 -1.818 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132256481 776716506 /nfs/dbraw/zinc/71/65/06/776716506.db2.gz BLNDYCKPKIACRI-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1[nH]nnc1C ZINC001132229772 776716627 /nfs/dbraw/zinc/71/66/27/776716627.db2.gz YCPRBFQAHJABGX-UHFFFAOYSA-N 1 0 266.305 -1.265 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)nc1OC ZINC001132277587 776718681 /nfs/dbraw/zinc/71/86/81/776718681.db2.gz FEFJJZYIFVJOKX-UHFFFAOYSA-N 1 0 293.327 -1.503 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132331097 776721412 /nfs/dbraw/zinc/72/14/12/776721412.db2.gz KJJORTSIMTWUCN-ZJUUUORDSA-N 1 0 282.344 -1.658 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132331095 776721559 /nfs/dbraw/zinc/72/15/59/776721559.db2.gz KJJORTSIMTWUCN-UWVGGRQHSA-N 1 0 282.344 -1.658 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132318323 776721790 /nfs/dbraw/zinc/72/17/90/776721790.db2.gz VDVKLFILQOJTHH-UHFFFAOYSA-N 1 0 295.343 -3.127 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337533 776722830 /nfs/dbraw/zinc/72/28/30/776722830.db2.gz LWAOLDPZSACLGG-DTWKUNHWSA-N 1 0 281.316 -2.157 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337251 776722961 /nfs/dbraw/zinc/72/29/61/776722961.db2.gz IGUHACWFBNQEFX-UWVGGRQHSA-N 1 0 282.344 -1.494 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132338641 776723913 /nfs/dbraw/zinc/72/39/13/776723913.db2.gz VVGLLQBWDHHUKZ-ZJUUUORDSA-N 1 0 280.328 -2.047 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132338511 776724450 /nfs/dbraw/zinc/72/44/50/776724450.db2.gz VFZCXCSJVUGQCE-UWVGGRQHSA-N 1 0 284.360 -1.106 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)CC(N)=O ZINC001132338510 776724648 /nfs/dbraw/zinc/72/46/48/776724648.db2.gz VFZCXCSJVUGQCE-NXEZZACHSA-N 1 0 284.360 -1.106 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132338640 776724668 /nfs/dbraw/zinc/72/46/68/776724668.db2.gz VVGLLQBWDHHUKZ-VHSXEESVSA-N 1 0 280.328 -2.047 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132320790 776724770 /nfs/dbraw/zinc/72/47/70/776724770.db2.gz TXYGTUCPLIVPNE-UHFFFAOYSA-N 1 0 254.334 -1.300 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)CC(N)=O ZINC001132344860 776725766 /nfs/dbraw/zinc/72/57/66/776725766.db2.gz LBKAPUVXPWRRDB-JTQLQIEISA-N 1 0 255.318 -1.147 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)CC(N)=O)C1=O ZINC001132345331 776725918 /nfs/dbraw/zinc/72/59/18/776725918.db2.gz OXHVJAXXENYNTN-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132342206 776726102 /nfs/dbraw/zinc/72/61/02/776726102.db2.gz YRVBCMDIYKXBFM-WDEREUQCSA-N 1 0 267.329 -1.147 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132342204 776726136 /nfs/dbraw/zinc/72/61/36/776726136.db2.gz YRVBCMDIYKXBFM-MNOVXSKESA-N 1 0 267.329 -1.147 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132356318 776729366 /nfs/dbraw/zinc/72/93/66/776729366.db2.gz VROXTBLOIRACEB-MRVPVSSYSA-N 1 0 267.289 -2.532 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132358198 776729746 /nfs/dbraw/zinc/72/97/46/776729746.db2.gz AMMAIKCBKFBCQE-JTQLQIEISA-N 1 0 253.302 -1.522 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132358798 776729916 /nfs/dbraw/zinc/72/99/16/776729916.db2.gz HUKOUFBRYMUDRP-MNOVXSKESA-N 1 0 294.355 -1.385 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132358797 776729945 /nfs/dbraw/zinc/72/99/45/776729945.db2.gz HUKOUFBRYMUDRP-GHMZBOCLSA-N 1 0 294.355 -1.385 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387166 776732433 /nfs/dbraw/zinc/73/24/33/776732433.db2.gz PMUYNMNAIVQABC-SNVBAGLBSA-N 1 0 268.317 -1.634 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376926 776734589 /nfs/dbraw/zinc/73/45/89/776734589.db2.gz SFZKPUWVPYRMDJ-NXEZZACHSA-N 1 0 280.328 -2.034 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376620 776734947 /nfs/dbraw/zinc/73/49/47/776734947.db2.gz PVUPLJLKWLLIOT-UWVGGRQHSA-N 1 0 282.344 -1.481 20 30 CAEDRO CN1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)NC1=O ZINC001132382742 776735774 /nfs/dbraw/zinc/73/57/74/776735774.db2.gz QCMZMZJEMGSNED-MRVPVSSYSA-N 1 0 282.304 -2.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132379622 776735804 /nfs/dbraw/zinc/73/58/04/776735804.db2.gz QHJNQRZVFIEGGT-UHFFFAOYSA-N 1 0 281.316 -1.253 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382526 776736351 /nfs/dbraw/zinc/73/63/51/776736351.db2.gz LRTFETMMOISWRZ-VIFPVBQESA-N 1 0 281.316 -2.535 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132382764 776736493 /nfs/dbraw/zinc/73/64/93/776736493.db2.gz QRHIILUHEBZRMJ-VIFPVBQESA-N 1 0 293.327 -1.417 20 30 CAEDRO Cn1c(C(=O)NCC[NH2+]CC(=O)NCC#N)c[nH]c1=O ZINC001132379592 776736698 /nfs/dbraw/zinc/73/66/98/776736698.db2.gz OVSYMZJBLKFJRX-UHFFFAOYSA-N 1 0 280.288 -1.915 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCCC(N)=O ZINC001170613078 776737854 /nfs/dbraw/zinc/73/78/54/776737854.db2.gz LXJFPSFFPIPXQE-UHFFFAOYSA-N 1 0 296.371 -1.123 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402344 776739002 /nfs/dbraw/zinc/73/90/02/776739002.db2.gz PKYIFVYCXREIDU-ZJUUUORDSA-N 1 0 295.343 -2.146 20 30 CAEDRO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132519779 776739461 /nfs/dbraw/zinc/73/94/61/776739461.db2.gz LQIDNTBMYVZIHZ-VIFPVBQESA-N 1 0 281.316 -2.047 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519695 776739792 /nfs/dbraw/zinc/73/97/92/776739792.db2.gz IORQNMOOFVORCY-JTQLQIEISA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132528666 776742816 /nfs/dbraw/zinc/74/28/16/776742816.db2.gz QTAGVRVSRBVPLE-QMMMGPOBSA-N 1 0 279.304 -2.333 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132529084 776742967 /nfs/dbraw/zinc/74/29/67/776742967.db2.gz ZAZTUQKYQNWDIL-MRVPVSSYSA-N 1 0 281.320 -1.780 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132623875 776745922 /nfs/dbraw/zinc/74/59/22/776745922.db2.gz IMVPLLYHAIARQW-GHMZBOCLSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608594 776746177 /nfs/dbraw/zinc/74/61/77/776746177.db2.gz GYTNEEHJOFPVFP-JTQLQIEISA-N 1 0 280.328 -2.080 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132623349 776746081 /nfs/dbraw/zinc/74/60/81/776746081.db2.gz CIYWNPKHKMBEIE-MNOVXSKESA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608866 776746351 /nfs/dbraw/zinc/74/63/51/776746351.db2.gz KZOKMWAIDXOCHU-SNVBAGLBSA-N 1 0 282.344 -1.527 20 30 CAEDRO Cc1nc[nH]c(=O)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132703212 776747911 /nfs/dbraw/zinc/74/79/11/776747911.db2.gz RVCKYLQKGCGFAL-UHFFFAOYSA-N 1 0 292.299 -1.550 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1csc(=O)[nH]1 ZINC001132644048 776747984 /nfs/dbraw/zinc/74/79/84/776747984.db2.gz UOHANBAFMJJFBH-UHFFFAOYSA-N 1 0 283.313 -1.192 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763136 776751316 /nfs/dbraw/zinc/75/13/16/776751316.db2.gz WWBSNGZPKXEGNK-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(F)CCOC1 ZINC001132851952 776751966 /nfs/dbraw/zinc/75/19/66/776751966.db2.gz DIRJSJJQDRSFOF-GFCCVEGCSA-N 1 0 271.292 -1.430 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1cncnc1 ZINC001132816340 776752618 /nfs/dbraw/zinc/75/26/18/776752618.db2.gz JSSOYHOJBOIRMC-JTQLQIEISA-N 1 0 290.327 -1.074 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(F)CCOC1 ZINC001132851953 776753060 /nfs/dbraw/zinc/75/30/60/776753060.db2.gz DIRJSJJQDRSFOF-LBPRGKRZSA-N 1 0 271.292 -1.430 20 30 CAEDRO Cn1cc(OCC(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001132961013 776755002 /nfs/dbraw/zinc/75/50/02/776755002.db2.gz DRGKSBIKFKXSAX-UHFFFAOYSA-N 1 0 294.315 -1.856 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132961037 776755099 /nfs/dbraw/zinc/75/50/99/776755099.db2.gz FWSCVECXWGJJAK-UHFFFAOYSA-N 1 0 295.343 -1.193 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016368 776755951 /nfs/dbraw/zinc/75/59/51/776755951.db2.gz WAFNXUOWECXXHM-UHFFFAOYSA-N 1 0 264.285 -1.261 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013319 776757945 /nfs/dbraw/zinc/75/79/45/776757945.db2.gz DKKKABAEBHGPAV-VIFPVBQESA-N 1 0 291.311 -1.773 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133078273 776758910 /nfs/dbraw/zinc/75/89/10/776758910.db2.gz SQBFLZRDBWPDIQ-GHMZBOCLSA-N 1 0 294.355 -1.705 20 30 CAEDRO C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133083409 776759057 /nfs/dbraw/zinc/75/90/57/776759057.db2.gz JNYPKCPUHQFFIB-VHSXEESVSA-N 1 0 295.343 -1.814 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133082370 776759102 /nfs/dbraw/zinc/75/91/02/776759102.db2.gz FWSCLBIRWIGJJH-MNOVXSKESA-N 1 0 296.371 -1.152 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133082366 776759424 /nfs/dbraw/zinc/75/94/24/776759424.db2.gz FWSCLBIRWIGJJH-GHMZBOCLSA-N 1 0 296.371 -1.152 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115567 776761596 /nfs/dbraw/zinc/76/15/96/776761596.db2.gz PQILUNIIRIUBJY-VIFPVBQESA-N 1 0 256.306 -1.424 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133115877 776761954 /nfs/dbraw/zinc/76/19/54/776761954.db2.gz SMXLJUNZKCXYLK-VHSXEESVSA-N 1 0 295.343 -1.840 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121026 776763026 /nfs/dbraw/zinc/76/30/26/776763026.db2.gz GBVAOUSBQPBIQR-BDAKNGLRSA-N 1 0 281.316 -2.489 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121028 776763116 /nfs/dbraw/zinc/76/31/16/776763116.db2.gz GBVAOUSBQPBIQR-IUCAKERBSA-N 1 0 281.316 -2.489 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122128 776764533 /nfs/dbraw/zinc/76/45/33/776764533.db2.gz RQORWYYNTPLVCV-RKDXNWHRSA-N 1 0 283.332 -1.936 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151734 776765573 /nfs/dbraw/zinc/76/55/73/776765573.db2.gz HHPKZJZVQMYPFD-UHFFFAOYSA-N 1 0 293.389 -1.037 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(N)=O)C1=O ZINC001133197257 776770999 /nfs/dbraw/zinc/77/09/99/776770999.db2.gz YFOJMSRKIRBTAM-MRVPVSSYSA-N 1 0 254.290 -2.036 20 30 CAEDRO C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133196853 776771425 /nfs/dbraw/zinc/77/14/25/776771425.db2.gz UMSXXKCSLQXWKC-UHFFFAOYSA-N 1 0 288.307 -1.203 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C(N)=O)C1=O ZINC001133197258 776771570 /nfs/dbraw/zinc/77/15/70/776771570.db2.gz YFOJMSRKIRBTAM-QMMMGPOBSA-N 1 0 254.290 -2.036 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133332153 776775726 /nfs/dbraw/zinc/77/57/26/776775726.db2.gz FILOFOYDCURFQC-UHFFFAOYSA-N 1 0 281.316 -1.253 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133510397 776779397 /nfs/dbraw/zinc/77/93/97/776779397.db2.gz ZRYTXWAVWCPKLY-SNVBAGLBSA-N 1 0 271.317 -1.897 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479009 776779500 /nfs/dbraw/zinc/77/95/00/776779500.db2.gz ONSPEFNPRCQLBF-YGRLFVJLSA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133513184 776779517 /nfs/dbraw/zinc/77/95/17/776779517.db2.gz MYLNEVXCKQZUTK-GHMZBOCLSA-N 1 0 285.344 -1.509 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133479163 776779530 /nfs/dbraw/zinc/77/95/30/776779530.db2.gz RZTLKNYOBPOOPW-UHFFFAOYSA-N 1 0 268.252 -1.492 20 30 CAEDRO COC[C@H](OC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133512491 776779933 /nfs/dbraw/zinc/77/99/33/776779933.db2.gz CZDFQTACQCXLJK-VIFPVBQESA-N 1 0 272.305 -2.007 20 30 CAEDRO CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133516481 776781068 /nfs/dbraw/zinc/78/10/68/776781068.db2.gz ZWLKKIHITYIOAH-NXEZZACHSA-N 1 0 297.359 -1.365 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619803 776782069 /nfs/dbraw/zinc/78/20/69/776782069.db2.gz MMHBCJTUQPSFRF-UWVGGRQHSA-N 1 0 297.359 -1.723 20 30 CAEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001133592855 776782249 /nfs/dbraw/zinc/78/22/49/776782249.db2.gz DSOZUOQCCSOLKN-UHFFFAOYSA-N 1 0 289.295 -1.423 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681212 776783237 /nfs/dbraw/zinc/78/32/37/776783237.db2.gz KJKZRQKEBNUQQY-NSHDSACASA-N 1 0 294.355 -1.500 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133663439 776783796 /nfs/dbraw/zinc/78/37/96/776783796.db2.gz YRLJQPNFGUADDA-ZJUUUORDSA-N 1 0 299.375 -1.170 20 30 CAEDRO Cn1c(C(=O)NCC[NH2+]CC(=O)NCC#N)cccc1=O ZINC001133621637 776784035 /nfs/dbraw/zinc/78/40/35/776784035.db2.gz KPWXVUYTYAWNQB-UHFFFAOYSA-N 1 0 291.311 -1.656 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133753899 776784593 /nfs/dbraw/zinc/78/45/93/776784593.db2.gz NBYZXROVXZBLGM-CYBMUJFWSA-N 1 0 282.344 -1.479 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133704707 776785128 /nfs/dbraw/zinc/78/51/28/776785128.db2.gz OFHXOBPSXVXOPO-UHFFFAOYSA-N 1 0 292.295 -1.553 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754144 776785242 /nfs/dbraw/zinc/78/52/42/776785242.db2.gz QQEBCZXLVJKZNH-ZDUSSCGKSA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754143 776785668 /nfs/dbraw/zinc/78/56/68/776785668.db2.gz QQEBCZXLVJKZNH-CYBMUJFWSA-N 1 0 280.328 -2.032 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754556 776786213 /nfs/dbraw/zinc/78/62/13/776786213.db2.gz VCSOMQVZYRRPRM-QMTHXVAHSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787274 776787516 /nfs/dbraw/zinc/78/75/16/776787516.db2.gz BWMUKXMDVZWQAB-MNOVXSKESA-N 1 0 267.329 -1.039 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133766603 776787786 /nfs/dbraw/zinc/78/77/86/776787786.db2.gz ITJFYBVERVNCPC-IINYFYTJSA-N 1 0 294.355 -1.644 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781221 776787973 /nfs/dbraw/zinc/78/79/73/776787973.db2.gz DDRFQRNIODNECL-VHSXEESVSA-N 1 0 253.302 -1.252 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911162 776793034 /nfs/dbraw/zinc/79/30/34/776793034.db2.gz BDNPBOGIYKTWTB-BBBLOLIVSA-N 1 0 280.328 -2.049 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911394 776794086 /nfs/dbraw/zinc/79/40/86/776794086.db2.gz HZYIQQLSPRHSOV-BDAKNGLRSA-N 1 0 266.301 -2.437 20 30 CAEDRO Cn1ncc(CCC(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001133914142 776794528 /nfs/dbraw/zinc/79/45/28/776794528.db2.gz BNAFJAFDHQAAFJ-UHFFFAOYSA-N 1 0 293.331 -1.907 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353068 776811608 /nfs/dbraw/zinc/81/16/08/776811608.db2.gz RRKGFFULTKDCAQ-SECBINFHSA-N 1 0 261.347 -1.347 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932406 776796027 /nfs/dbraw/zinc/79/60/27/776796027.db2.gz WJJJBSLKMJGYJK-MNOVXSKESA-N 1 0 294.355 -1.657 20 30 CAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC(N)=O ZINC001134021573 776798808 /nfs/dbraw/zinc/79/88/08/776798808.db2.gz CLLYDQLNCQYTTN-RKDXNWHRSA-N 1 0 283.332 -1.626 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170717240 776800405 /nfs/dbraw/zinc/80/04/05/776800405.db2.gz LFSACTLOMZMMSW-UHFFFAOYSA-N 1 0 279.304 -1.917 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1ccc(C)n1 ZINC001133996003 776800437 /nfs/dbraw/zinc/80/04/37/776800437.db2.gz QZKSOYMDWAOKHZ-UHFFFAOYSA-N 1 0 277.328 -1.353 20 30 CAEDRO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H]21 ZINC001170721593 776801235 /nfs/dbraw/zinc/80/12/35/776801235.db2.gz XBSHVFOWFPXTMD-IVMZMKDDSA-N 1 0 287.356 -1.347 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170717824 776801290 /nfs/dbraw/zinc/80/12/90/776801290.db2.gz UJWZBGLLBFEZCQ-UHFFFAOYSA-N 1 0 280.332 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134022883 776801477 /nfs/dbraw/zinc/80/14/77/776801477.db2.gz WMVGOUBWUVXLOK-UWVGGRQHSA-N 1 0 282.344 -1.516 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134013924 776801886 /nfs/dbraw/zinc/80/18/86/776801886.db2.gz ITMNSJNOYSEPLQ-UHFFFAOYSA-N 1 0 280.332 -1.255 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134013759 776802134 /nfs/dbraw/zinc/80/21/34/776802134.db2.gz FAESMDYYUBMHHG-UHFFFAOYSA-N 1 0 279.304 -1.917 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134022884 776803118 /nfs/dbraw/zinc/80/31/18/776803118.db2.gz WMVGOUBWUVXLOK-VHSXEESVSA-N 1 0 282.344 -1.516 20 30 CAEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001134061667 776803722 /nfs/dbraw/zinc/80/37/22/776803722.db2.gz BZEFXWYOSNGOKA-BBBLOLIVSA-N 1 0 298.343 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134029118 776804040 /nfs/dbraw/zinc/80/40/40/776804040.db2.gz WHURPWHMCLSQTO-PWSUYJOCSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099654 776804063 /nfs/dbraw/zinc/80/40/63/776804063.db2.gz USTNDKZHZAZYKI-JTQLQIEISA-N 1 0 262.317 -1.035 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134109814 776805320 /nfs/dbraw/zinc/80/53/20/776805320.db2.gz GUMCNWWFYBJQEV-WDEREUQCSA-N 1 0 296.371 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134111495 776805759 /nfs/dbraw/zinc/80/57/59/776805759.db2.gz WJARWPUJGNCFHQ-GHMZBOCLSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001134130435 776805895 /nfs/dbraw/zinc/80/58/95/776805895.db2.gz HNKSPNSCDVFXCF-UWVGGRQHSA-N 1 0 282.344 -1.516 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001134131333 776806357 /nfs/dbraw/zinc/80/63/57/776806357.db2.gz VABUZCBQMUJZHX-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCO ZINC001134130701 776806393 /nfs/dbraw/zinc/80/63/93/776806393.db2.gz LJQJBJHFZZKEJG-WDEREUQCSA-N 1 0 269.345 -1.009 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCC(=O)N1 ZINC001134110948 776806738 /nfs/dbraw/zinc/80/67/38/776806738.db2.gz OUXAXOAMLKYAHF-VHSXEESVSA-N 1 0 295.343 -1.753 20 30 CAEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCC(=O)N1 ZINC001134110949 776807203 /nfs/dbraw/zinc/80/72/03/776807203.db2.gz OUXAXOAMLKYAHF-ZJUUUORDSA-N 1 0 295.343 -1.753 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134111497 776807250 /nfs/dbraw/zinc/80/72/50/776807250.db2.gz WJARWPUJGNCFHQ-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCO ZINC001134130698 776807383 /nfs/dbraw/zinc/80/73/83/776807383.db2.gz LJQJBJHFZZKEJG-GHMZBOCLSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134178346 776809488 /nfs/dbraw/zinc/80/94/88/776809488.db2.gz KYBXXQURBVBXMJ-CMPLNLGQSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134283922 776809879 /nfs/dbraw/zinc/80/98/79/776809879.db2.gz OYUWHDCJQJDZPS-UHFFFAOYSA-N 1 0 261.285 -1.455 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnnc1 ZINC001134291660 776811518 /nfs/dbraw/zinc/81/15/18/776811518.db2.gz BDSZOFSYRCVTGW-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353069 776811763 /nfs/dbraw/zinc/81/17/63/776811763.db2.gz RRKGFFULTKDCAQ-VIFPVBQESA-N 1 0 261.347 -1.347 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353813 776812041 /nfs/dbraw/zinc/81/20/41/776812041.db2.gz XDJNOZVMOKCQRQ-JTQLQIEISA-N 1 0 291.373 -1.720 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353627 776812139 /nfs/dbraw/zinc/81/21/39/776812139.db2.gz VLUPHZPFUKLQAM-SNVBAGLBSA-N 1 0 293.389 -1.168 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnnc1 ZINC001134291659 776812543 /nfs/dbraw/zinc/81/25/43/776812543.db2.gz BDSZOFSYRCVTGW-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134406920 776813277 /nfs/dbraw/zinc/81/32/77/776813277.db2.gz IDKGSQLJNPLFFZ-UHFFFAOYSA-N 1 0 265.317 -1.040 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134397409 776813690 /nfs/dbraw/zinc/81/36/90/776813690.db2.gz MTJGUODLYPVCON-UHFFFAOYSA-N 1 0 263.301 -1.593 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398606 776814504 /nfs/dbraw/zinc/81/45/04/776814504.db2.gz DFMQHURSZRSFMU-NXEZZACHSA-N 1 0 292.343 -1.117 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398608 776814699 /nfs/dbraw/zinc/81/46/99/776814699.db2.gz DFMQHURSZRSFMU-VHSXEESVSA-N 1 0 292.343 -1.117 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456544 776817677 /nfs/dbraw/zinc/81/76/77/776817677.db2.gz ZNGBOIDKJKSWFH-QMMMGPOBSA-N 1 0 252.274 -1.686 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460548 776818282 /nfs/dbraw/zinc/81/82/82/776818282.db2.gz CRHBEZNJWZYSEV-QMMMGPOBSA-N 1 0 297.315 -2.408 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134640341 776820862 /nfs/dbraw/zinc/82/08/62/776820862.db2.gz GCZZTFJVSLLOJH-LBPRGKRZSA-N 1 0 297.355 -1.505 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COC1CCOCC1 ZINC001134636760 776821238 /nfs/dbraw/zinc/82/12/38/776821238.db2.gz SZGRZUFBSALFPW-UHFFFAOYSA-N 1 0 298.343 -1.472 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134609013 776821576 /nfs/dbraw/zinc/82/15/76/776821576.db2.gz GNTYPRFOHFLSQT-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CC[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O ZINC001134673390 776823541 /nfs/dbraw/zinc/82/35/41/776823541.db2.gz NBKGLKXJVOTHGD-UHFFFAOYSA-N 1 0 274.284 -1.770 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134673218 776823939 /nfs/dbraw/zinc/82/39/39/776823939.db2.gz LPKKAONWAFHOTM-NWDGAFQWSA-N 1 0 299.371 -1.118 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134667614 776824040 /nfs/dbraw/zinc/82/40/40/776824040.db2.gz VCECKWIVUFKRNM-UHFFFAOYSA-N 1 0 280.328 -1.021 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134673219 776824116 /nfs/dbraw/zinc/82/41/16/776824116.db2.gz LPKKAONWAFHOTM-RYUDHWBXSA-N 1 0 299.371 -1.118 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134660389 776825004 /nfs/dbraw/zinc/82/50/04/776825004.db2.gz ZOFQACHRUQBSKH-NSHDSACASA-N 1 0 285.344 -1.507 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714465 776826429 /nfs/dbraw/zinc/82/64/29/776826429.db2.gz RQUMAYTVOCJAGX-UHFFFAOYSA-N 1 0 280.284 -1.864 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770950 776826938 /nfs/dbraw/zinc/82/69/38/776826938.db2.gz VJMIFCOVCBKORJ-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(CC)n1 ZINC001134766686 776827309 /nfs/dbraw/zinc/82/73/09/776827309.db2.gz LIEMKKJVHNFHPA-UHFFFAOYSA-N 1 0 277.328 -1.028 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770953 776827795 /nfs/dbraw/zinc/82/77/95/776827795.db2.gz VJMIFCOVCBKORJ-WDEREUQCSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770951 776827926 /nfs/dbraw/zinc/82/79/26/776827926.db2.gz VJMIFCOVCBKORJ-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829661 776828323 /nfs/dbraw/zinc/82/83/23/776828323.db2.gz NLFSJSFFODOXHV-NSHDSACASA-N 1 0 298.343 -2.278 20 30 CAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(N)=O ZINC001134817136 776828348 /nfs/dbraw/zinc/82/83/48/776828348.db2.gz OBGAZTKBLHCZPY-SNVBAGLBSA-N 1 0 270.333 -1.352 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836144 776828459 /nfs/dbraw/zinc/82/84/59/776828459.db2.gz COWSVMGILSQQRC-JTQLQIEISA-N 1 0 268.317 -1.904 20 30 CAEDRO C[C@H](C[C@H](C)NC(=O)c1cn[nH]n1)[NH2+]CC(=O)NCC#N ZINC001134842465 776828477 /nfs/dbraw/zinc/82/84/77/776828477.db2.gz BSUAUGIQZBOQSV-BDAKNGLRSA-N 1 0 293.331 -1.069 20 30 CAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(N)=O ZINC001134817135 776828803 /nfs/dbraw/zinc/82/88/03/776828803.db2.gz OBGAZTKBLHCZPY-JTQLQIEISA-N 1 0 270.333 -1.352 20 30 CAEDRO COc1cncc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001134836491 776829005 /nfs/dbraw/zinc/82/90/05/776829005.db2.gz LBTQWYRXMRRUBW-UHFFFAOYSA-N 1 0 292.299 -1.556 20 30 CAEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC ZINC001134812872 776829061 /nfs/dbraw/zinc/82/90/61/776829061.db2.gz UFXPPFGANZLHQF-LLVKDONJSA-N 1 0 284.360 -1.091 20 30 CAEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC ZINC001134812873 776829101 /nfs/dbraw/zinc/82/91/01/776829101.db2.gz UFXPPFGANZLHQF-NSHDSACASA-N 1 0 284.360 -1.091 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829191 776829206 /nfs/dbraw/zinc/82/92/06/776829206.db2.gz CTMYBFFVNBGPMO-JTQLQIEISA-N 1 0 270.333 -1.352 20 30 CAEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]n1 ZINC001134842466 776829398 /nfs/dbraw/zinc/82/93/98/776829398.db2.gz BSUAUGIQZBOQSV-DTWKUNHWSA-N 1 0 293.331 -1.069 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829658 776829646 /nfs/dbraw/zinc/82/96/46/776829646.db2.gz NLEPGNYAKNRJTE-JTQLQIEISA-N 1 0 268.317 -1.904 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC(=O)N(C)C)C1=O ZINC001134933092 776830102 /nfs/dbraw/zinc/83/01/02/776830102.db2.gz NZDWNCPAQQVVEZ-LLVKDONJSA-N 1 0 296.371 -1.043 20 30 CAEDRO O=C[C@H]([NH2+][C@H]1CCCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001170775590 776830252 /nfs/dbraw/zinc/83/02/52/776830252.db2.gz LUCBXUDGMJHQBG-PREPNJAASA-N 1 0 277.317 -2.212 20 30 CAEDRO COCc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)no1 ZINC001134905283 776830456 /nfs/dbraw/zinc/83/04/56/776830456.db2.gz QFYYGQDREXBETN-UHFFFAOYSA-N 1 0 295.299 -1.220 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134936148 776831946 /nfs/dbraw/zinc/83/19/46/776831946.db2.gz GOHMMAIMUXPPJQ-SNVBAGLBSA-N 1 0 282.344 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134939087 776832235 /nfs/dbraw/zinc/83/22/35/776832235.db2.gz PFDIHZLHFXBOSZ-UHFFFAOYSA-N 1 0 270.333 -1.527 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134941839 776832802 /nfs/dbraw/zinc/83/28/02/776832802.db2.gz PYMBLMSFUIIKMO-UHFFFAOYSA-N 1 0 255.318 -1.180 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134936147 776833007 /nfs/dbraw/zinc/83/30/07/776833007.db2.gz GOHMMAIMUXPPJQ-JTQLQIEISA-N 1 0 282.344 -1.692 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC)nn1 ZINC001134973469 776833417 /nfs/dbraw/zinc/83/34/17/776833417.db2.gz TTWYUMISSWXHLK-VIFPVBQESA-N 1 0 280.332 -1.082 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001134981297 776833702 /nfs/dbraw/zinc/83/37/02/776833702.db2.gz WVEJFPZARBRDKO-UHFFFAOYSA-N 1 0 291.315 -1.577 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC)nn1 ZINC001134970735 776833793 /nfs/dbraw/zinc/83/37/93/776833793.db2.gz ZRYIZSIOBKYWKT-UHFFFAOYSA-N 1 0 280.332 -1.080 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001170785095 776833924 /nfs/dbraw/zinc/83/39/24/776833924.db2.gz NXIXMZDBDNGOGZ-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO C=CCn1cc(C(=O)NCC[NH2+]CCOCCO)nn1 ZINC001134969579 776834216 /nfs/dbraw/zinc/83/42/16/776834216.db2.gz JTNYJMLITZXGBY-UHFFFAOYSA-N 1 0 283.332 -1.208 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977527 776835132 /nfs/dbraw/zinc/83/51/32/776835132.db2.gz TXPGSXXKDZHDMW-JTQLQIEISA-N 1 0 275.374 -1.101 20 30 CAEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126002 776836095 /nfs/dbraw/zinc/83/60/95/776836095.db2.gz LJAHKTBTFRUAPQ-SECBINFHSA-N 1 0 261.347 -1.088 20 30 CAEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126003 776836141 /nfs/dbraw/zinc/83/61/41/776836141.db2.gz LJAHKTBTFRUAPQ-VIFPVBQESA-N 1 0 261.347 -1.088 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082174 776836556 /nfs/dbraw/zinc/83/65/56/776836556.db2.gz YQMXNWGKEICHMY-NXEZZACHSA-N 1 0 290.389 -1.454 20 30 CAEDRO C#CC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110425 776836787 /nfs/dbraw/zinc/83/67/87/776836787.db2.gz CHKDNNLJSWUHLM-UHFFFAOYSA-N 1 0 278.316 -1.482 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125736 776837198 /nfs/dbraw/zinc/83/71/98/776837198.db2.gz IZHXRXHBDPNNPD-SECBINFHSA-N 1 0 259.331 -1.641 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135082175 776837216 /nfs/dbraw/zinc/83/72/16/776837216.db2.gz YQMXNWGKEICHMY-UWVGGRQHSA-N 1 0 290.389 -1.454 20 30 CAEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176727 776837743 /nfs/dbraw/zinc/83/77/43/776837743.db2.gz UCXXUYZBIDYVRO-NWDGAFQWSA-N 1 0 280.372 -1.076 20 30 CAEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135142421 776838165 /nfs/dbraw/zinc/83/81/65/776838165.db2.gz UEFHWLZRTDEEDU-ONGXEEELSA-N 1 0 298.343 -1.132 20 30 CAEDRO C=CC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135155771 776838444 /nfs/dbraw/zinc/83/84/44/776838444.db2.gz UGIWCQQCCGIDIV-UHFFFAOYSA-N 1 0 266.301 -1.134 20 30 CAEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CC(=O)NCC ZINC001284403038 777939389 /nfs/dbraw/zinc/93/93/89/777939389.db2.gz TVCJTVAMQZRKDA-NSHDSACASA-N 1 0 269.345 -1.055 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccn(CCOC)n1 ZINC001283783657 777916229 /nfs/dbraw/zinc/91/62/29/777916229.db2.gz ZVIOJDANDXCMBW-NSHDSACASA-N 1 0 280.328 -1.157 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283792846 777916348 /nfs/dbraw/zinc/91/63/48/777916348.db2.gz OPVCBGZFPGKCCA-VIFPVBQESA-N 1 0 282.304 -2.460 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccsn1 ZINC001283772884 777916369 /nfs/dbraw/zinc/91/63/69/777916369.db2.gz TZNMTSOJMJGXSQ-VIFPVBQESA-N 1 0 296.352 -1.427 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001283783765 777916420 /nfs/dbraw/zinc/91/64/20/777916420.db2.gz JEHJPSDPUNGYJB-QWRGUYRKSA-N 1 0 267.329 -1.397 20 30 CAEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001283770800 777916430 /nfs/dbraw/zinc/91/64/30/777916430.db2.gz LZOYYOBYAVLSFR-LLVKDONJSA-N 1 0 297.359 -1.385 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001283771209 777916470 /nfs/dbraw/zinc/91/64/70/777916470.db2.gz PVGWTZXTZYACDJ-SECBINFHSA-N 1 0 267.289 -2.718 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccsn1 ZINC001283772881 777916499 /nfs/dbraw/zinc/91/64/99/777916499.db2.gz TZNMTSOJMJGXSQ-SECBINFHSA-N 1 0 296.352 -1.427 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001283771211 777916722 /nfs/dbraw/zinc/91/67/22/777916722.db2.gz PVGWTZXTZYACDJ-VIFPVBQESA-N 1 0 267.289 -2.718 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001283772663 777916927 /nfs/dbraw/zinc/91/69/27/777916927.db2.gz ZUPJLEOZOBMZOL-SNVBAGLBSA-N 1 0 294.311 -1.961 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001283771017 777916936 /nfs/dbraw/zinc/91/69/36/777916936.db2.gz NAKBXYVREPBNRF-GFCCVEGCSA-N 1 0 296.371 -2.150 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001283781227 777916960 /nfs/dbraw/zinc/91/69/60/777916960.db2.gz AWWRGHNHNDERHB-GHMZBOCLSA-N 1 0 288.369 -1.489 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001283771926 777917142 /nfs/dbraw/zinc/91/71/42/777917142.db2.gz KUNWIVSQRLVGAB-VIFPVBQESA-N 1 0 250.258 -1.504 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001283790449 777917813 /nfs/dbraw/zinc/91/78/13/777917813.db2.gz AHVBMPVNFPCRNB-ZJUUUORDSA-N 1 0 253.302 -1.788 20 30 CAEDRO C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001283793776 777918092 /nfs/dbraw/zinc/91/80/92/777918092.db2.gz WTYZQSWRAXROKJ-NWDGAFQWSA-N 1 0 296.371 -2.103 20 30 CAEDRO CC1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CCC1 ZINC001283793443 777918343 /nfs/dbraw/zinc/91/83/43/777918343.db2.gz UJXZDCHYQWRXJJ-JTQLQIEISA-N 1 0 282.344 -1.117 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001283792590 777918392 /nfs/dbraw/zinc/91/83/92/777918392.db2.gz MEDJCQJNVJUQSO-MNOVXSKESA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001283792593 777918467 /nfs/dbraw/zinc/91/84/67/777918467.db2.gz MEDJCQJNVJUQSO-QWRGUYRKSA-N 1 0 267.329 -1.303 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283790984 777918615 /nfs/dbraw/zinc/91/86/15/777918615.db2.gz DHILXUPTPGVEHI-QMMMGPOBSA-N 1 0 252.278 -2.086 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncccn1 ZINC001283819145 777920437 /nfs/dbraw/zinc/92/04/37/777920437.db2.gz ZJKWATWMXBNDAY-JTQLQIEISA-N 1 0 291.311 -2.094 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001283815970 777920594 /nfs/dbraw/zinc/92/05/94/777920594.db2.gz NKAFEXKQBSKUPV-SECBINFHSA-N 1 0 254.294 -1.684 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001283816574 777920625 /nfs/dbraw/zinc/92/06/25/777920625.db2.gz QGLJLTFYXGLINX-SNVBAGLBSA-N 1 0 278.312 -1.183 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O)nn1 ZINC001283813786 777920851 /nfs/dbraw/zinc/92/08/51/777920851.db2.gz QFJVRLSJZFNIET-BDAKNGLRSA-N 1 0 296.331 -1.982 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001283815528 777920873 /nfs/dbraw/zinc/92/08/73/777920873.db2.gz LSNGCUBXTWLQMF-JTQLQIEISA-N 1 0 266.305 -1.847 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCOC1 ZINC001283813778 777920923 /nfs/dbraw/zinc/92/09/23/777920923.db2.gz CGFFYVSSSYNLTI-SMDDNHRTSA-N 1 0 297.355 -1.771 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001283815529 777920967 /nfs/dbraw/zinc/92/09/67/777920967.db2.gz LSNGCUBXTWLQMF-SNVBAGLBSA-N 1 0 266.305 -1.847 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001283817465 777921110 /nfs/dbraw/zinc/92/11/10/777921110.db2.gz UIAMRNBZCMLCRJ-SECBINFHSA-N 1 0 251.290 -1.481 20 30 CAEDRO N#CCNC(=O)CN[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001283827364 777922044 /nfs/dbraw/zinc/92/20/44/777922044.db2.gz LFTMRAUXIWHBHP-NSHDSACASA-N 1 0 297.359 -2.211 20 30 CAEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001283826673 777922451 /nfs/dbraw/zinc/92/24/51/777922451.db2.gz CRYKCUYHQNFHOG-SNVBAGLBSA-N 1 0 298.343 -1.429 20 30 CAEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001283826669 777922482 /nfs/dbraw/zinc/92/24/82/777922482.db2.gz CRYKCUYHQNFHOG-JTQLQIEISA-N 1 0 298.343 -1.429 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001283831893 777922896 /nfs/dbraw/zinc/92/28/96/777922896.db2.gz PADVONRXVOEPKJ-QWRGUYRKSA-N 1 0 288.369 -1.346 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001283842903 777923989 /nfs/dbraw/zinc/92/39/89/777923989.db2.gz RGXKMXJUXJSYEK-DTWKUNHWSA-N 1 0 267.285 -2.261 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001283842902 777924125 /nfs/dbraw/zinc/92/41/25/777924125.db2.gz RGXKMXJUXJSYEK-BDAKNGLRSA-N 1 0 267.285 -2.261 20 30 CAEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001283947531 777924683 /nfs/dbraw/zinc/92/46/83/777924683.db2.gz MEHVVVHTOPESED-NWDGAFQWSA-N 1 0 292.343 -1.098 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001283947524 777924863 /nfs/dbraw/zinc/92/48/63/777924863.db2.gz MEHVVVHTOPESED-NEPJUHHUSA-N 1 0 292.343 -1.098 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001283947532 777924984 /nfs/dbraw/zinc/92/49/84/777924984.db2.gz MEHVVVHTOPESED-RYUDHWBXSA-N 1 0 292.343 -1.098 20 30 CAEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)NC)C1 ZINC001284000371 777926352 /nfs/dbraw/zinc/92/63/52/777926352.db2.gz NBBQVMFQIHTDHW-UWVGGRQHSA-N 1 0 288.373 -1.748 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001284326349 777937208 /nfs/dbraw/zinc/93/72/08/777937208.db2.gz PJVRWMUIQOLADC-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001284396753 777939222 /nfs/dbraw/zinc/93/92/22/777939222.db2.gz FOUMNQIIEQRFMT-GHMZBOCLSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001284416157 777939873 /nfs/dbraw/zinc/93/98/73/777939873.db2.gz LBARUALVLYNJEO-ZJUUUORDSA-N 1 0 298.343 -1.431 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001284396754 777940199 /nfs/dbraw/zinc/94/01/99/777940199.db2.gz FOUMNQIIEQRFMT-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001284427656 777940731 /nfs/dbraw/zinc/94/07/31/777940731.db2.gz BOHBKQBYRMYEIQ-GFCCVEGCSA-N 1 0 298.387 -1.645 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)COCc1ccnn1C ZINC001284425481 777940767 /nfs/dbraw/zinc/94/07/67/777940767.db2.gz QIJKRQKJGVQJMS-ZDUSSCGKSA-N 1 0 294.355 -1.021 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001284430462 777940863 /nfs/dbraw/zinc/94/08/63/777940863.db2.gz RHOAREOLUNYLGZ-NWDGAFQWSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(=O)NCC(F)F ZINC001284427586 777940951 /nfs/dbraw/zinc/94/09/51/777940951.db2.gz AKOCCKJKRDEYCK-SECBINFHSA-N 1 0 291.298 -1.200 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001284424911 777941139 /nfs/dbraw/zinc/94/11/39/777941139.db2.gz KWMHHMHENIUOPM-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001284435027 777941224 /nfs/dbraw/zinc/94/12/24/777941224.db2.gz CGIWACUIQLHYTC-SNVBAGLBSA-N 1 0 278.312 -1.184 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284445990 777941239 /nfs/dbraw/zinc/94/12/39/777941239.db2.gz XZIQHYYFOBGTCP-SNVBAGLBSA-N 1 0 267.329 -1.316 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001284424913 777941293 /nfs/dbraw/zinc/94/12/93/777941293.db2.gz KWMHHMHENIUOPM-QWRGUYRKSA-N 1 0 267.329 -1.445 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001284445260 777942222 /nfs/dbraw/zinc/94/22/22/777942222.db2.gz RBBKJTKOEVPGHN-VHSXEESVSA-N 1 0 270.333 -1.347 20 30 CAEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001284445259 777942355 /nfs/dbraw/zinc/94/23/55/777942355.db2.gz RBBKJTKOEVPGHN-UWVGGRQHSA-N 1 0 270.333 -1.347 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284444775 777942512 /nfs/dbraw/zinc/94/25/12/777942512.db2.gz NMBXZMWEDUEDDI-BDAKNGLRSA-N 1 0 284.316 -2.982 20 30 CAEDRO C=CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O)nn1 ZINC001284446317 777942898 /nfs/dbraw/zinc/94/28/98/777942898.db2.gz FLOBRYVHGOEBJB-GHMZBOCLSA-N 1 0 297.359 -1.133 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001284439086 777942987 /nfs/dbraw/zinc/94/29/87/777942987.db2.gz ZKFHHHWSQYJUPZ-MNOVXSKESA-N 1 0 267.329 -1.445 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001284476604 777945056 /nfs/dbraw/zinc/94/50/56/777945056.db2.gz JAMVPUAPRIRDSW-WDEREUQCSA-N 1 0 295.339 -1.529 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001284476602 777945383 /nfs/dbraw/zinc/94/53/83/777945383.db2.gz JAMVPUAPRIRDSW-MNOVXSKESA-N 1 0 295.339 -1.529 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001284467890 777945473 /nfs/dbraw/zinc/94/54/73/777945473.db2.gz LKCRBCRJAHEFPP-NSHDSACASA-N 1 0 265.317 -1.290 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001284467245 777945607 /nfs/dbraw/zinc/94/56/07/777945607.db2.gz HTMOCSJCKYQJIY-SECBINFHSA-N 1 0 282.300 -2.420 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001284467941 777945850 /nfs/dbraw/zinc/94/58/50/777945850.db2.gz MERZCXYWZXHRIR-JTQLQIEISA-N 1 0 296.327 -2.078 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001284492203 777947650 /nfs/dbraw/zinc/94/76/50/777947650.db2.gz HNGDLBJZKJQZEE-RYUDHWBXSA-N 1 0 281.356 -1.151 20 30 CAEDRO CC#CC[NH2+]CCOCCN(C)C(=O)Cn1cnnn1 ZINC001284855986 777957040 /nfs/dbraw/zinc/95/70/40/777957040.db2.gz WVBWUBDLGHGSQD-UHFFFAOYSA-N 1 0 280.332 -1.239 20 30 CAEDRO CC#CC[NH2+]CCOCCN(C)C(=O)Cn1ncnn1 ZINC001284869005 777957430 /nfs/dbraw/zinc/95/74/30/777957430.db2.gz KPXDICYNHOSGEA-UHFFFAOYSA-N 1 0 280.332 -1.239 20 30 CAEDRO COCC#CC[NH2+]CCOCCN(C)C(=O)C(N)=O ZINC001284874948 777958713 /nfs/dbraw/zinc/95/87/13/777958713.db2.gz SFMIGUCJXGBSIG-UHFFFAOYSA-N 1 0 271.317 -1.814 20 30 CAEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)C(N)=O)CC1 ZINC001295633687 778084763 /nfs/dbraw/zinc/08/47/63/778084763.db2.gz MJLLOQIRMMSPDE-SNVBAGLBSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)Cn2nnc(N)n2)CC1 ZINC001303792829 778142316 /nfs/dbraw/zinc/14/23/16/778142316.db2.gz RDKHQVQLIRWMTK-UHFFFAOYSA-N 1 0 263.305 -1.531 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001303792007 778142326 /nfs/dbraw/zinc/14/23/26/778142326.db2.gz DYSCGQSRERMAFG-SNVBAGLBSA-N 1 0 268.317 -1.771 20 30 CAEDRO CC[N@H+](CCO)CCNC(=O)NCC(=O)NCC#N ZINC001117430310 779534724 /nfs/dbraw/zinc/53/47/24/779534724.db2.gz FGTACTAXNPHOET-UHFFFAOYSA-N 1 0 271.321 -1.760 20 30 CAEDRO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]([NH3+])CCCC#N ZINC001118061348 779546898 /nfs/dbraw/zinc/54/68/98/779546898.db2.gz SZUWVKXNDJJDAZ-VIFPVBQESA-N 1 0 284.316 -1.115 20 30 CAEDRO CCOC(=O)CN(CC(N)=O)C(=O)[C@H]([NH3+])CCCC#N ZINC001118061346 779547044 /nfs/dbraw/zinc/54/70/44/779547044.db2.gz SZUWVKXNDJJDAZ-SECBINFHSA-N 1 0 284.316 -1.115 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC001118038765 779547373 /nfs/dbraw/zinc/54/73/73/779547373.db2.gz OCYZTJFQTBYJFZ-SNVBAGLBSA-N 1 0 253.302 -1.427 20 30 CAEDRO C=CCNC(=O)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC001118136156 779548458 /nfs/dbraw/zinc/54/84/58/779548458.db2.gz PSLXGAYVVMCWNK-UHFFFAOYSA-N 1 0 266.305 -1.341 20 30 CAEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118146929 779549837 /nfs/dbraw/zinc/54/98/37/779549837.db2.gz AOSLRIXKYUTFGE-NWDGAFQWSA-N 1 0 289.339 -1.235 20 30 CAEDRO CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001118183913 779551923 /nfs/dbraw/zinc/55/19/23/779551923.db2.gz QPAGTQCJOQBLQO-CYBMUJFWSA-N 1 0 282.344 -1.117 20 30 CAEDRO Cn1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(=O)[nH]c1=O ZINC001118202075 779552759 /nfs/dbraw/zinc/55/27/59/779552759.db2.gz PJLDOVQZQIPBKF-XPUUQOCRSA-N 1 0 263.257 -1.673 20 30 CAEDRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1=O ZINC001118203089 779552900 /nfs/dbraw/zinc/55/29/00/779552900.db2.gz CEDNGFHXFLOMBZ-BQBZGAKWSA-N 1 0 279.256 -2.365 20 30 CAEDRO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1=O ZINC001118203093 779553180 /nfs/dbraw/zinc/55/31/80/779553180.db2.gz CEDNGFHXFLOMBZ-RNFRBKRXSA-N 1 0 279.256 -2.365 20 30 CAEDRO Cn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(=O)[nH]c1=O ZINC001118202072 779553302 /nfs/dbraw/zinc/55/33/02/779553302.db2.gz PJLDOVQZQIPBKF-HTRCEHHLSA-N 1 0 263.257 -1.673 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001118204075 779553388 /nfs/dbraw/zinc/55/33/88/779553388.db2.gz ZUGRKECFSZQGKM-DTWKUNHWSA-N 1 0 277.284 -1.846 20 30 CAEDRO CS(=O)(=O)NCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001118204338 779554992 /nfs/dbraw/zinc/55/49/92/779554992.db2.gz JJADHQKELKCPJN-HTQZYQBOSA-N 1 0 260.319 -1.847 20 30 CAEDRO C#CCNC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001118302522 779561298 /nfs/dbraw/zinc/56/12/98/779561298.db2.gz DBYVKRMYEWQVQG-UHFFFAOYSA-N 1 0 280.372 -1.168 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC001118328893 779565066 /nfs/dbraw/zinc/56/50/66/779565066.db2.gz OPBYJDQYVLPBIA-JTQLQIEISA-N 1 0 280.328 -1.017 20 30 CAEDRO C[NH+]=C(NC[C@@]1(O)CCS(=O)(=O)C1)NC1CC1 ZINC001118411455 779568912 /nfs/dbraw/zinc/56/89/12/779568912.db2.gz INMFBFSQVFYYRB-JTQLQIEISA-N 1 0 261.347 -1.137 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC001118511378 779573016 /nfs/dbraw/zinc/57/30/16/779573016.db2.gz VBWBYLDAHRAEAE-SNVBAGLBSA-N 1 0 253.302 -1.346 20 30 CAEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC001118511325 779573463 /nfs/dbraw/zinc/57/34/63/779573463.db2.gz UBQPLSJMGAYGDT-OPRDCNLKSA-N 1 0 284.291 -1.365 20 30 CAEDRO C=CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC001118551313 779575506 /nfs/dbraw/zinc/57/55/06/779575506.db2.gz AZGZEQASCAHJQF-WDEREUQCSA-N 1 0 285.344 -1.120 20 30 CAEDRO CN(CCNS(C)(=O)=O)C(=O)C#CC1CC[NH2+]CC1 ZINC001118570047 779576665 /nfs/dbraw/zinc/57/66/65/779576665.db2.gz XSJRRGJIIPKJAD-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO NC(=O)[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC001118569972 779576747 /nfs/dbraw/zinc/57/67/47/779576747.db2.gz VGRMZTJOFPHTFZ-LLVKDONJSA-N 1 0 265.313 -1.298 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CCO1 ZINC001118870886 779592599 /nfs/dbraw/zinc/59/25/99/779592599.db2.gz FNKKIUIULYMDRY-JTQLQIEISA-N 1 0 284.316 -1.781 20 30 CAEDRO C#CCNC(=O)CN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001118901985 779595842 /nfs/dbraw/zinc/59/58/42/779595842.db2.gz FUGRDMLEZRTWSP-UHFFFAOYSA-N 1 0 290.327 -1.237 20 30 CAEDRO C[NH2+]CCOCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001118930423 779598080 /nfs/dbraw/zinc/59/80/80/779598080.db2.gz UWEYLYBKTRWALP-JTQLQIEISA-N 1 0 284.316 -1.910 20 30 CAEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC001118932583 779598524 /nfs/dbraw/zinc/59/85/24/779598524.db2.gz PDEKHUDKYAREPK-LDYMZIIASA-N 1 0 254.265 -1.071 20 30 CAEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC001119607966 779619510 /nfs/dbraw/zinc/61/95/10/779619510.db2.gz QDHBUHYWTUEWPC-MNOVXSKESA-N 1 0 280.328 -1.065 20 30 CAEDRO C[N@H+](C[C@H](O)CC#N)C[C@H](O)CN1CCOCC1 ZINC001119685368 779622974 /nfs/dbraw/zinc/62/29/74/779622974.db2.gz OCWAIMARRCXELT-NEPJUHHUSA-N 1 0 257.334 -1.114 20 30 CAEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CC[NH2+]CC2)CCO1 ZINC001120270315 779633460 /nfs/dbraw/zinc/63/34/60/779633460.db2.gz LVYLFKJEPUNILY-LBPRGKRZSA-N 1 0 266.301 -1.441 20 30 CAEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CCO1 ZINC001120270246 779633480 /nfs/dbraw/zinc/63/34/80/779633480.db2.gz KICHSLXXTRMIMT-JOYOIKCWSA-N 1 0 266.301 -1.313 20 30 CAEDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001120378358 779634637 /nfs/dbraw/zinc/63/46/37/779634637.db2.gz RZJCLPZFWMQDGS-JOYOIKCWSA-N 1 0 268.317 -1.067 20 30 CAEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001120379765 779634816 /nfs/dbraw/zinc/63/48/16/779634816.db2.gz ZIUZNTOMECHWDL-GFCCVEGCSA-N 1 0 268.317 -1.195 20 30 CAEDRO N#CCNC(=O)CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120536865 779640863 /nfs/dbraw/zinc/64/08/63/779640863.db2.gz PQOCFXYAVZOJNP-VHSXEESVSA-N 1 0 265.317 -1.123 20 30 CAEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001120542101 779642142 /nfs/dbraw/zinc/64/21/42/779642142.db2.gz GWSDFGIMAASNHK-UKKRHICBSA-N 1 0 278.312 -1.254 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121674604 779650858 /nfs/dbraw/zinc/65/08/58/779650858.db2.gz LSABOWJBZLYGQY-UHFFFAOYSA-N 1 0 293.327 -1.872 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001121816480 779651741 /nfs/dbraw/zinc/65/17/41/779651741.db2.gz XFMYRWJOPDFFHW-LBPRGKRZSA-N 1 0 299.396 -1.460 20 30 CAEDRO C#CC[NH2+]CC(=O)N1CCCN(CC(=O)NCC)CC1 ZINC001121945890 779653861 /nfs/dbraw/zinc/65/38/61/779653861.db2.gz IMHPPMLTRFUNFK-UHFFFAOYSA-N 1 0 280.372 -1.120 20 30 CAEDRO C#CC[NH2+]CC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC001121979708 779654332 /nfs/dbraw/zinc/65/43/32/779654332.db2.gz WMGNNRIXPZXKOH-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO CCC[C@@H](NC(N)=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149094664 779660967 /nfs/dbraw/zinc/66/09/67/779660967.db2.gz MWVVGKLOCILKCH-SECBINFHSA-N 1 0 298.347 -1.831 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOC ZINC001122417051 779668125 /nfs/dbraw/zinc/66/81/25/779668125.db2.gz NHBWZWGCILXMGM-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CNC(C)=O)C1=O ZINC001122674773 779673485 /nfs/dbraw/zinc/67/34/85/779673485.db2.gz BWUKDEWNMLZTHE-NSHDSACASA-N 1 0 282.344 -1.385 20 30 CAEDRO Cc1cnc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001122917505 779675621 /nfs/dbraw/zinc/67/56/21/779675621.db2.gz PHCUFWXKKLPXHV-UHFFFAOYSA-N 1 0 276.300 -1.256 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C)cn1 ZINC001122921770 779675989 /nfs/dbraw/zinc/67/59/89/779675989.db2.gz OSVCMJGSFZTVCY-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1=COCCO1 ZINC001123031420 779676817 /nfs/dbraw/zinc/67/68/17/779676817.db2.gz FFKAVQFYNLAQKY-JTQLQIEISA-N 1 0 281.312 -1.282 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1=COCCO1 ZINC001123019860 779677043 /nfs/dbraw/zinc/67/70/43/779677043.db2.gz RYFIKSBWJVMZCD-UHFFFAOYSA-N 1 0 267.285 -1.670 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)NC(C)=O ZINC001123063371 779678025 /nfs/dbraw/zinc/67/80/25/779678025.db2.gz PQVXVZIIPKLRHU-VIFPVBQESA-N 1 0 270.333 -1.481 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(N)=O ZINC001123257032 779683678 /nfs/dbraw/zinc/68/36/78/779683678.db2.gz FIHQZCVJIZSYAS-MRVPVSSYSA-N 1 0 269.305 -2.502 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CNC(N)=O)C1=O ZINC001123242862 779683706 /nfs/dbraw/zinc/68/37/06/779683706.db2.gz VGDZIYQGFPFSJI-SECBINFHSA-N 1 0 283.332 -1.853 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123305070 779685442 /nfs/dbraw/zinc/68/54/42/779685442.db2.gz NBBNROMBUROQHZ-UHFFFAOYSA-N 1 0 266.265 -2.981 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123313606 779687221 /nfs/dbraw/zinc/68/72/21/779687221.db2.gz SVMWDZJRMMJVRN-UHFFFAOYSA-N 1 0 265.277 -2.872 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2cnnn2)C1=O ZINC001123313796 779687459 /nfs/dbraw/zinc/68/74/59/779687459.db2.gz XABQPSWEZLRRIS-SNVBAGLBSA-N 1 0 293.331 -1.834 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123341940 779687967 /nfs/dbraw/zinc/68/79/67/779687967.db2.gz ULMVQUVFIWBZIA-UHFFFAOYSA-N 1 0 267.329 -1.036 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123335405 779688176 /nfs/dbraw/zinc/68/81/76/779688176.db2.gz PSIRFNQMAMVDPE-UHFFFAOYSA-N 1 0 282.344 -1.383 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123335245 779688256 /nfs/dbraw/zinc/68/82/56/779688256.db2.gz JURXLZUOTMYNOZ-UHFFFAOYSA-N 1 0 281.316 -2.046 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1cccn1 ZINC001123514563 779689421 /nfs/dbraw/zinc/68/94/21/779689421.db2.gz DHFUPFHOSQKFIE-UHFFFAOYSA-N 1 0 264.289 -1.771 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1 ZINC001123359899 779689736 /nfs/dbraw/zinc/68/97/36/779689736.db2.gz SMOVYXBGLCJAML-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cccn1 ZINC001123531666 779690290 /nfs/dbraw/zinc/69/02/90/779690290.db2.gz UEYPWXUYRGSFJA-NSHDSACASA-N 1 0 277.328 -1.273 20 30 CAEDRO Cn1cccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123642205 779692021 /nfs/dbraw/zinc/69/20/21/779692021.db2.gz XWOAMVQECLRUMI-UHFFFAOYSA-N 1 0 263.301 -1.016 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCn1cncn1 ZINC001123660092 779692379 /nfs/dbraw/zinc/69/23/79/779692379.db2.gz UQVXWPCCXGAQPN-UHFFFAOYSA-N 1 0 278.316 -1.877 20 30 CAEDRO CS(=O)(=O)NCC[NH2+]CCNC(=O)CSCC#N ZINC001123799245 779692571 /nfs/dbraw/zinc/69/25/71/779692571.db2.gz NRORKTLBWGMGPX-UHFFFAOYSA-N 1 0 294.402 -1.502 20 30 CAEDRO CS(=O)(=O)CC[NH2+]CCNC(=O)CSCC#N ZINC001123792109 779693303 /nfs/dbraw/zinc/69/33/03/779693303.db2.gz IQXNMYRMQGYKCP-UHFFFAOYSA-N 1 0 279.387 -1.006 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123877689 779696631 /nfs/dbraw/zinc/69/66/31/779696631.db2.gz UOHSMJFZPMUONK-RYUDHWBXSA-N 1 0 297.355 -1.106 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123870564 779696925 /nfs/dbraw/zinc/69/69/25/779696925.db2.gz WSFBILCKXFASCG-SNVBAGLBSA-N 1 0 269.301 -2.143 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2COCCO2)C1=O ZINC001123877690 779697076 /nfs/dbraw/zinc/69/70/76/779697076.db2.gz UOHSMJFZPMUONK-VXGBXAGGSA-N 1 0 297.355 -1.106 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123877687 779697249 /nfs/dbraw/zinc/69/72/49/779697249.db2.gz UOHSMJFZPMUONK-NEPJUHHUSA-N 1 0 297.355 -1.106 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123870575 779697288 /nfs/dbraw/zinc/69/72/88/779697288.db2.gz WZKONXBKMFXZCU-JTQLQIEISA-N 1 0 271.317 -1.590 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123890779 779697978 /nfs/dbraw/zinc/69/79/78/779697978.db2.gz CKQFBPBXINBYLI-QWRGUYRKSA-N 1 0 285.344 -1.202 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)n1cccn1 ZINC001123917681 779697990 /nfs/dbraw/zinc/69/79/90/779697990.db2.gz FFHTYQVOXBBHBA-NSHDSACASA-N 1 0 277.328 -1.101 20 30 CAEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)n1cccn1 ZINC001123918161 779699249 /nfs/dbraw/zinc/69/92/49/779699249.db2.gz MCIWRCOWJJBYEF-SNVBAGLBSA-N 1 0 278.316 -1.210 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cn[nH]c1 ZINC001124055704 779702058 /nfs/dbraw/zinc/70/20/58/779702058.db2.gz LZFLIUIJXRAGSK-UHFFFAOYSA-N 1 0 294.315 -1.259 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn[nH]c1 ZINC001124077369 779702277 /nfs/dbraw/zinc/70/22/77/779702277.db2.gz BZMCDCBJOGGPQS-VIFPVBQESA-N 1 0 263.301 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]1OCC ZINC001124141504 779704222 /nfs/dbraw/zinc/70/42/22/779704222.db2.gz VMSYNTJXDPPDDF-MNOVXSKESA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncnc1C ZINC001124118966 779704380 /nfs/dbraw/zinc/70/43/80/779704380.db2.gz GYVOKILQOPZDSK-UHFFFAOYSA-N 1 0 275.312 -1.146 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnns1 ZINC001124163049 779704507 /nfs/dbraw/zinc/70/45/07/779704507.db2.gz FZAZAPUKJQUEHK-UHFFFAOYSA-N 1 0 267.314 -1.393 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CNC(=O)OC ZINC001124172712 779704714 /nfs/dbraw/zinc/70/47/14/779704714.db2.gz PBHJXOMURRFCOO-UHFFFAOYSA-N 1 0 257.290 -1.302 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1OCC ZINC001124141507 779705272 /nfs/dbraw/zinc/70/52/72/779705272.db2.gz VMSYNTJXDPPDDF-WDEREUQCSA-N 1 0 267.329 -1.133 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)CCC ZINC001124306065 779708666 /nfs/dbraw/zinc/70/86/66/779708666.db2.gz UERCACVAACEXMW-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OC ZINC001124297165 779709181 /nfs/dbraw/zinc/70/91/81/779709181.db2.gz GODZIPIFOLDOHY-NXEZZACHSA-N 1 0 255.318 -1.135 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)n(C)n1 ZINC001124281742 779709533 /nfs/dbraw/zinc/70/95/33/779709533.db2.gz MMRMKAASTMPYKP-UHFFFAOYSA-N 1 0 277.328 -1.203 20 30 CAEDRO Cc1ocnc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124375695 779709987 /nfs/dbraw/zinc/70/99/87/779709987.db2.gz LUVHVXGOPBCGJF-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124362125 779710133 /nfs/dbraw/zinc/71/01/33/779710133.db2.gz IRZDGIBIOMCLNW-UHFFFAOYSA-N 1 0 275.330 -2.514 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124355212 779710896 /nfs/dbraw/zinc/71/08/96/779710896.db2.gz CUUOITJEPLHREZ-UHFFFAOYSA-N 1 0 277.346 -1.961 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCCC ZINC001124444891 779711956 /nfs/dbraw/zinc/71/19/56/779711956.db2.gz ZNXCFPRYMVCRAZ-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCOC1 ZINC001124501383 779712405 /nfs/dbraw/zinc/71/24/05/779712405.db2.gz KIGZHHNFNJARFV-JTQLQIEISA-N 1 0 253.302 -1.522 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cnn(C)c1 ZINC001124626404 779714232 /nfs/dbraw/zinc/71/42/32/779714232.db2.gz AOSWRIICDXXMFQ-LLVKDONJSA-N 1 0 291.355 -1.194 20 30 CAEDRO CCOCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124712229 779714899 /nfs/dbraw/zinc/71/48/99/779714899.db2.gz WYYZVQANSRGDAU-UHFFFAOYSA-N 1 0 256.306 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001124664566 779714919 /nfs/dbraw/zinc/71/49/19/779714919.db2.gz XNZFZJDFKQNPGI-VHSXEESVSA-N 1 0 281.312 -1.749 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124773709 779715819 /nfs/dbraw/zinc/71/58/19/779715819.db2.gz VOFOPZXCSBWSLX-UHFFFAOYSA-N 1 0 279.362 -1.556 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001124765265 779715971 /nfs/dbraw/zinc/71/59/71/779715971.db2.gz RAKFTNPCCZWSFP-UHFFFAOYSA-N 1 0 258.278 -1.910 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001124764769 779716060 /nfs/dbraw/zinc/71/60/60/779716060.db2.gz CHDBTTNDWUOPJO-UHFFFAOYSA-N 1 0 285.344 -1.246 20 30 CAEDRO C=CCOCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001124773872 779716659 /nfs/dbraw/zinc/71/66/59/779716659.db2.gz ZOFLZIKHHCIEQW-MRVPVSSYSA-N 1 0 272.305 -1.522 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124809968 779717464 /nfs/dbraw/zinc/71/74/64/779717464.db2.gz DJKTZAGRFKOPKR-VHSXEESVSA-N 1 0 282.344 -1.339 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805119 779717564 /nfs/dbraw/zinc/71/75/64/779717564.db2.gz SYCDSJHQAZUKAN-MRVPVSSYSA-N 1 0 267.289 -2.389 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124814931 779717699 /nfs/dbraw/zinc/71/76/99/779717699.db2.gz STEDLEYDQMOLII-SNVBAGLBSA-N 1 0 253.302 -1.379 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804739 779717907 /nfs/dbraw/zinc/71/79/07/779717907.db2.gz ICMIQLQZVQOPCF-SECBINFHSA-N 1 0 266.301 -2.280 20 30 CAEDRO C#CC[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149102932 779718983 /nfs/dbraw/zinc/71/89/83/779718983.db2.gz ABNUPACRZSDQHT-NSHDSACASA-N 1 0 273.358 -1.203 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001124895352 779719302 /nfs/dbraw/zinc/71/93/02/779719302.db2.gz GWRNNFGTMGIPGP-SECBINFHSA-N 1 0 276.362 -1.257 20 30 CAEDRO C[C@H](C#N)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001124908129 779719876 /nfs/dbraw/zinc/71/98/76/779719876.db2.gz DKWQKEYDKWMYTH-RQJHMYQMSA-N 1 0 255.278 -1.565 20 30 CAEDRO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124888727 779720058 /nfs/dbraw/zinc/72/00/58/779720058.db2.gz LIODRTOHHJFDEW-QMMMGPOBSA-N 1 0 269.305 -1.302 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125164997 779722160 /nfs/dbraw/zinc/72/21/60/779722160.db2.gz WCAMHFQTZOSWJE-JTQLQIEISA-N 1 0 277.328 -1.204 20 30 CAEDRO CN1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001125213353 779723478 /nfs/dbraw/zinc/72/34/78/779723478.db2.gz GKWHCLJEBRCTQO-SNVBAGLBSA-N 1 0 283.332 -2.337 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125213667 779724107 /nfs/dbraw/zinc/72/41/07/779724107.db2.gz KTDKZXWMCNUBEW-LLVKDONJSA-N 1 0 284.360 -1.675 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125213668 779724797 /nfs/dbraw/zinc/72/47/97/779724797.db2.gz KTDKZXWMCNUBEW-NSHDSACASA-N 1 0 284.360 -1.675 20 30 CAEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149160081 779735234 /nfs/dbraw/zinc/73/52/34/779735234.db2.gz OMSMWDCGHHJBHS-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO N[C@@H]1NCN(C(=O)C#Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001142863836 779762652 /nfs/dbraw/zinc/76/26/52/779762652.db2.gz BFRXGPGRDACMIW-MJBXVCDLSA-N 1 0 271.324 -1.443 20 30 CAEDRO N[C@@H]1NCN(C(=O)C#Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001142863835 779763017 /nfs/dbraw/zinc/76/30/17/779763017.db2.gz BFRXGPGRDACMIW-MGPQQGTHSA-N 1 0 271.324 -1.443 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149431690 779776665 /nfs/dbraw/zinc/77/66/65/779776665.db2.gz AYFNZGSLZLAXHZ-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149545998 779779784 /nfs/dbraw/zinc/77/97/84/779779784.db2.gz DOIXQAMRGIFGFE-LLVKDONJSA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149531026 779779846 /nfs/dbraw/zinc/77/98/46/779779846.db2.gz QEANHUDFFUEPRU-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149545999 779780265 /nfs/dbraw/zinc/78/02/65/779780265.db2.gz DOIXQAMRGIFGFE-NSHDSACASA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739437 779782751 /nfs/dbraw/zinc/78/27/51/779782751.db2.gz MVIRDEYAHHBLQW-GFCCVEGCSA-N 1 0 292.343 -1.097 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(=O)[nH]c1 ZINC001149747356 779783656 /nfs/dbraw/zinc/78/36/56/779783656.db2.gz JEDZVJLMQSLJFI-UHFFFAOYSA-N 1 0 277.284 -1.254 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001149914509 779784863 /nfs/dbraw/zinc/78/48/63/779784863.db2.gz AGHVQLRJOGJZMN-UHFFFAOYSA-N 1 0 266.301 -1.344 20 30 CAEDRO Cn1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)ccc1=O ZINC001150142353 779787214 /nfs/dbraw/zinc/78/72/14/779787214.db2.gz SDZBQWABIPJWCB-UHFFFAOYSA-N 1 0 292.299 -2.261 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cn2cncn2)C1=O ZINC001150243559 779788337 /nfs/dbraw/zinc/78/83/37/779788337.db2.gz COFYIMDQDGJDTL-NSHDSACASA-N 1 0 292.343 -1.229 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2cncn2)C1=O ZINC001150243558 779788670 /nfs/dbraw/zinc/78/86/70/779788670.db2.gz COFYIMDQDGJDTL-LLVKDONJSA-N 1 0 292.343 -1.229 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cncn1 ZINC001150250369 779790525 /nfs/dbraw/zinc/79/05/25/779790525.db2.gz UBCUNGZNVBNRME-SNVBAGLBSA-N 1 0 280.332 -1.325 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150400793 779792521 /nfs/dbraw/zinc/79/25/21/779792521.db2.gz RTAHVSFEBBVBQJ-MRVPVSSYSA-N 1 0 254.290 -1.134 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150414696 779792995 /nfs/dbraw/zinc/79/29/95/779792995.db2.gz OZNVENRNSQTDBQ-VIFPVBQESA-N 1 0 266.301 -1.296 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150398779 779793243 /nfs/dbraw/zinc/79/32/43/779793243.db2.gz AWEYBODULJZQAT-MRVPVSSYSA-N 1 0 252.274 -1.686 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150450665 779795828 /nfs/dbraw/zinc/79/58/28/779795828.db2.gz QHXJPQGEJKTOPI-UHFFFAOYSA-N 1 0 291.311 -1.455 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cn1ccccc1=O ZINC001150589666 779796731 /nfs/dbraw/zinc/79/67/31/779796731.db2.gz FXSOAPNGDNLHEV-UHFFFAOYSA-N 1 0 291.311 -1.806 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150971556 779800259 /nfs/dbraw/zinc/80/02/59/779800259.db2.gz HTSFYQKFUHIPGW-UHFFFAOYSA-N 1 0 250.258 -1.562 20 30 CAEDRO Cc1nccn1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001151147777 779804966 /nfs/dbraw/zinc/80/49/66/779804966.db2.gz VWRNNNDPUQZJBB-UHFFFAOYSA-N 1 0 278.316 -1.463 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001151236382 779806405 /nfs/dbraw/zinc/80/64/05/779806405.db2.gz HVHGNRKXZRKSKZ-SECBINFHSA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151299071 779807350 /nfs/dbraw/zinc/80/73/50/779807350.db2.gz ACVKQPHPNGJUAM-VIFPVBQESA-N 1 0 259.331 -1.593 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373306 779808736 /nfs/dbraw/zinc/80/87/36/779808736.db2.gz NEZNBJLYKJYEQX-UHFFFAOYSA-N 1 0 290.345 -3.009 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CCNC(=O)c1cnccn1 ZINC001151512567 779812189 /nfs/dbraw/zinc/81/21/89/779812189.db2.gz SDVNAOLOXRNHIR-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001151672358 779812952 /nfs/dbraw/zinc/81/29/52/779812952.db2.gz BZLJDGWSLDVHSR-NSHDSACASA-N 1 0 288.369 -1.081 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151622370 779813080 /nfs/dbraw/zinc/81/30/80/779813080.db2.gz RENZEPJUNIOLAC-LLVKDONJSA-N 1 0 253.302 -1.427 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001151740439 779815109 /nfs/dbraw/zinc/81/51/09/779815109.db2.gz SZESEFSBTOTHPB-GFCCVEGCSA-N 1 0 296.371 -1.838 20 30 CAEDRO CCN1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001151749236 779815007 /nfs/dbraw/zinc/81/50/07/779815007.db2.gz SPGNVZMKZIDKSI-NSHDSACASA-N 1 0 297.359 -1.947 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001151748906 779815166 /nfs/dbraw/zinc/81/51/66/779815166.db2.gz LNTGPSJLBKNEFE-LBPRGKRZSA-N 1 0 298.387 -1.285 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccc[nH]1 ZINC001151781116 779816237 /nfs/dbraw/zinc/81/62/37/779816237.db2.gz CMVWIIUZBXYILF-UHFFFAOYSA-N 1 0 263.301 -1.097 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254341 779821909 /nfs/dbraw/zinc/82/19/09/779821909.db2.gz GMCMZVGLODTIPS-UHFFFAOYSA-N 1 0 278.316 -1.877 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CS(=O)(=O)CC ZINC001152376476 779822376 /nfs/dbraw/zinc/82/23/76/779822376.db2.gz DAICSMRBZBKPQZ-UHFFFAOYSA-N 1 0 289.357 -2.124 20 30 CAEDRO Cc1cnn(CCC(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001152361203 779822957 /nfs/dbraw/zinc/82/29/57/779822957.db2.gz CCUFJDMZOVUZMO-UHFFFAOYSA-N 1 0 292.343 -1.073 20 30 CAEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001152399593 779823042 /nfs/dbraw/zinc/82/30/42/779823042.db2.gz ZVRRQCRTHJCFEE-SECBINFHSA-N 1 0 299.375 -1.170 20 30 CAEDRO CCS(=O)(=O)CC(=O)NCC[NH2+]CC#CCOC ZINC001152376421 779823077 /nfs/dbraw/zinc/82/30/77/779823077.db2.gz BAFDBZVKDQUFMZ-UHFFFAOYSA-N 1 0 276.358 -1.223 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001152420939 779824222 /nfs/dbraw/zinc/82/42/22/779824222.db2.gz MVHHICPKHOSHHC-UHFFFAOYSA-N 1 0 292.343 -1.291 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152508463 779825432 /nfs/dbraw/zinc/82/54/32/779825432.db2.gz KFBUKBFXGKYDCH-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152691675 779828947 /nfs/dbraw/zinc/82/89/47/779828947.db2.gz RYZIYHAKJCWELR-UHFFFAOYSA-N 1 0 295.343 -1.655 20 30 CAEDRO C=CCCOCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001153091558 779835877 /nfs/dbraw/zinc/83/58/77/779835877.db2.gz SVLGYEJILBLQDF-UHFFFAOYSA-N 1 0 298.343 -1.163 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001153149551 779835968 /nfs/dbraw/zinc/83/59/68/779835968.db2.gz YGEFMNONYNLNOK-SNVBAGLBSA-N 1 0 293.389 -1.168 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001153159159 779836098 /nfs/dbraw/zinc/83/60/98/779836098.db2.gz IXQRTCZPWFVMHQ-BDAKNGLRSA-N 1 0 286.332 -1.133 20 30 CAEDRO C=CCO[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001153148810 779836113 /nfs/dbraw/zinc/83/61/13/779836113.db2.gz MJIXBYAMZBAPHZ-JTQLQIEISA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001153134838 779836197 /nfs/dbraw/zinc/83/61/97/779836197.db2.gz IWAJZYAWAGYLKS-SNVBAGLBSA-N 1 0 268.317 -1.077 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153473458 779840110 /nfs/dbraw/zinc/84/01/10/779840110.db2.gz QIDVGXLDIWJARW-UHFFFAOYSA-N 1 0 270.333 -1.350 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCCC(N)=O ZINC001153473496 779841365 /nfs/dbraw/zinc/84/13/65/779841365.db2.gz RBGLDYSBVXBLAM-UHFFFAOYSA-N 1 0 269.305 -2.012 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nonc1C ZINC001153562073 779841750 /nfs/dbraw/zinc/84/17/50/779841750.db2.gz YLRCIVPNBUIAKP-UHFFFAOYSA-N 1 0 265.273 -1.553 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nonc1C ZINC001153562064 779841774 /nfs/dbraw/zinc/84/17/74/779841774.db2.gz YFMVQHCMXYRYCS-UHFFFAOYSA-N 1 0 267.289 -1.000 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nonc1C ZINC001153578873 779842435 /nfs/dbraw/zinc/84/24/35/779842435.db2.gz YABLZBBFXVEGQS-VIFPVBQESA-N 1 0 279.300 -1.165 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nonc1C ZINC001153578872 779842834 /nfs/dbraw/zinc/84/28/34/779842834.db2.gz YABLZBBFXVEGQS-SECBINFHSA-N 1 0 279.300 -1.165 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COC[C@H]1CCCO1 ZINC001153674238 779843401 /nfs/dbraw/zinc/84/34/01/779843401.db2.gz SVWVJTSKRPNXHK-LLVKDONJSA-N 1 0 298.343 -1.472 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586789 779843934 /nfs/dbraw/zinc/84/39/34/779843934.db2.gz ZZBXSWXGXXTHKT-NSHDSACASA-N 1 0 282.344 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1[nH]cnc1C ZINC001153820056 779846428 /nfs/dbraw/zinc/84/64/28/779846428.db2.gz IYMSWOZXWZZQAI-UHFFFAOYSA-N 1 0 263.301 -1.213 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)N1CCOCC1 ZINC001153840224 779848019 /nfs/dbraw/zinc/84/80/19/779848019.db2.gz AFSNQPASQPQESO-LBPRGKRZSA-N 1 0 296.371 -1.838 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886661 779850150 /nfs/dbraw/zinc/85/01/50/779850150.db2.gz GGTLMQONYDARDL-VIFPVBQESA-N 1 0 296.327 -1.953 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COC ZINC001154002784 779852643 /nfs/dbraw/zinc/85/26/43/779852643.db2.gz RXJIQGFRTGRMAQ-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CNC(C)=O ZINC001154183372 779854226 /nfs/dbraw/zinc/85/42/26/779854226.db2.gz FTRLMRLRMBTLMR-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(C)=O ZINC001154188216 779854907 /nfs/dbraw/zinc/85/49/07/779854907.db2.gz SRQYGJFYPJFLKZ-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CNC(C)=O ZINC001154199525 779855168 /nfs/dbraw/zinc/85/51/68/779855168.db2.gz QFKSZPUWNULTJL-UHFFFAOYSA-N 1 0 270.333 -1.479 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cnccn1 ZINC001154264600 779855555 /nfs/dbraw/zinc/85/55/55/779855555.db2.gz IOKZBOJDSKRUNB-UHFFFAOYSA-N 1 0 276.300 -1.174 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NC(C)=O ZINC001154370165 779856418 /nfs/dbraw/zinc/85/64/18/779856418.db2.gz QGJPWDKJSQEFCD-SNVBAGLBSA-N 1 0 284.360 -1.091 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)NC(C)=O ZINC001154370834 779856773 /nfs/dbraw/zinc/85/67/73/779856773.db2.gz XRTWUBPMDRDJQR-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)NC(C)=O ZINC001154382673 779857285 /nfs/dbraw/zinc/85/72/85/779857285.db2.gz PRCMUVIIQVXKLN-GHMZBOCLSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(=O)[nH]n1 ZINC001154390037 779857449 /nfs/dbraw/zinc/85/74/49/779857449.db2.gz ATSRHSYAFBOESK-UHFFFAOYSA-N 1 0 291.311 -1.359 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(C)=O ZINC001154382674 779857801 /nfs/dbraw/zinc/85/78/01/779857801.db2.gz PRCMUVIIQVXKLN-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(C)=O ZINC001154382675 779857884 /nfs/dbraw/zinc/85/78/84/779857884.db2.gz PRCMUVIIQVXKLN-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cc[n+]([O-])cc1 ZINC001154373017 779857947 /nfs/dbraw/zinc/85/79/47/779857947.db2.gz KMARODDEQNLTIN-UHFFFAOYSA-N 1 0 290.323 -1.221 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCO1 ZINC001154407693 779858025 /nfs/dbraw/zinc/85/80/25/779858025.db2.gz XYGMYERVQDQHBU-SNVBAGLBSA-N 1 0 268.317 -1.099 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154467861 779860193 /nfs/dbraw/zinc/86/01/93/779860193.db2.gz RUYXUQRHMKADFV-VIFPVBQESA-N 1 0 283.332 -2.112 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(N)=O ZINC001154468193 779860429 /nfs/dbraw/zinc/86/04/29/779860429.db2.gz YRHLRRKLFBLOGI-SECBINFHSA-N 1 0 285.348 -1.559 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)Cn1cnnn1 ZINC001154503685 779861156 /nfs/dbraw/zinc/86/11/56/779861156.db2.gz XOSVYFJEKPDKCE-UHFFFAOYSA-N 1 0 266.305 -1.581 20 30 CAEDRO Cn1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)cn1 ZINC001154510049 779862255 /nfs/dbraw/zinc/86/22/55/779862255.db2.gz CIKJJOPCPMZJSQ-UHFFFAOYSA-N 1 0 278.316 -1.231 20 30 CAEDRO Cn1[nH]c(C[NH2+]CCCNC(=O)CSCC#N)nc1=O ZINC001154802752 779865161 /nfs/dbraw/zinc/86/51/61/779865161.db2.gz NEGYLYHMHWIOEO-UHFFFAOYSA-N 1 0 298.372 -1.039 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCCO1 ZINC001154872406 779866261 /nfs/dbraw/zinc/86/62/61/779866261.db2.gz SYMPBUSQJMGZLX-LLVKDONJSA-N 1 0 285.344 -1.200 20 30 CAEDRO CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C(N)=O ZINC001154952754 779866656 /nfs/dbraw/zinc/86/66/56/779866656.db2.gz LZGSLFIAPXEKGH-SNVBAGLBSA-N 1 0 255.318 -1.052 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn[nH]1 ZINC001154893057 779866834 /nfs/dbraw/zinc/86/68/34/779866834.db2.gz WKJVLXJDIOOLMI-UHFFFAOYSA-N 1 0 263.301 -1.131 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CNC(=O)C1CC1 ZINC001155029521 779868901 /nfs/dbraw/zinc/86/89/01/779868901.db2.gz KYTJTXIUGLVMTR-UHFFFAOYSA-N 1 0 295.343 -1.752 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cn[nH]c1 ZINC001155017029 779868907 /nfs/dbraw/zinc/86/89/07/779868907.db2.gz XMBHQRAVAQDYNM-UHFFFAOYSA-N 1 0 264.289 -1.241 20 30 CAEDRO COC(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155129494 779869543 /nfs/dbraw/zinc/86/95/43/779869543.db2.gz NKOJOYHUHQXLOJ-UHFFFAOYSA-N 1 0 285.304 -1.922 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnsn1 ZINC001155089254 779869788 /nfs/dbraw/zinc/86/97/88/779869788.db2.gz COEJZFIYJDNPTL-UHFFFAOYSA-N 1 0 281.341 -1.003 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cnns1 ZINC001155113382 779870281 /nfs/dbraw/zinc/87/02/81/779870281.db2.gz FARPCGWGYUYJJD-UHFFFAOYSA-N 1 0 282.329 -1.113 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)OC ZINC001155236415 779871709 /nfs/dbraw/zinc/87/17/09/779871709.db2.gz RSZJIUOAPLXTHZ-SNVBAGLBSA-N 1 0 255.318 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCOC1 ZINC001155439145 779872381 /nfs/dbraw/zinc/87/23/81/779872381.db2.gz KCXDGNPUTGESQA-SNVBAGLBSA-N 1 0 268.317 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccnn1C ZINC001155480588 779872458 /nfs/dbraw/zinc/87/24/58/779872458.db2.gz GTYIOCWRDPLISC-UHFFFAOYSA-N 1 0 277.328 -1.121 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cnn(C)c1 ZINC001155557242 779873686 /nfs/dbraw/zinc/87/36/86/779873686.db2.gz HNVIDCIMEKIHCN-UHFFFAOYSA-N 1 0 291.355 -1.192 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001155614725 779874123 /nfs/dbraw/zinc/87/41/23/779874123.db2.gz QJPXVJPWLDIYMV-MNOVXSKESA-N 1 0 295.339 -1.359 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155740679 779876445 /nfs/dbraw/zinc/87/64/45/779876445.db2.gz BIKQXBIXXVWKFT-SNVBAGLBSA-N 1 0 280.328 -1.890 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001155855062 779877063 /nfs/dbraw/zinc/87/70/63/779877063.db2.gz SJWWEONDUHZHOV-HTQZYQBOSA-N 1 0 269.305 -1.175 20 30 CAEDRO CCC(=O)NCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155802914 779877745 /nfs/dbraw/zinc/87/77/45/779877745.db2.gz QLWQEWIFUCKUPE-UHFFFAOYSA-N 1 0 283.332 -1.752 20 30 CAEDRO C[C@H](C#N)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001155830051 779877808 /nfs/dbraw/zinc/87/78/08/779877808.db2.gz ZVUOBLLCLWHEOT-MRVPVSSYSA-N 1 0 251.294 -1.034 20 30 CAEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155848717 779877975 /nfs/dbraw/zinc/87/79/75/779877975.db2.gz OMAIGFGILWUURD-VIFPVBQESA-N 1 0 281.316 -1.206 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CC(N)=O)C1=O ZINC001156025516 779881268 /nfs/dbraw/zinc/88/12/68/779881268.db2.gz TWXWXDRTSBESFP-JTQLQIEISA-N 1 0 282.344 -1.255 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CC(N)=O)C1=O ZINC001156025517 779881595 /nfs/dbraw/zinc/88/15/95/779881595.db2.gz TWXWXDRTSBESFP-SNVBAGLBSA-N 1 0 282.344 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC(N)=O ZINC001156011755 779881926 /nfs/dbraw/zinc/88/19/26/779881926.db2.gz DFXPFDYKCKSQTO-UHFFFAOYSA-N 1 0 254.290 -2.293 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCc1nnc[nH]1 ZINC001156328534 779884687 /nfs/dbraw/zinc/88/46/87/779884687.db2.gz WYAJAOOYNUKJCE-UHFFFAOYSA-N 1 0 293.331 -1.527 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001156516393 779886831 /nfs/dbraw/zinc/88/68/31/779886831.db2.gz FGECDGQHGZZNRX-LLVKDONJSA-N 1 0 294.355 -1.642 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CN1CCOCC1 ZINC001156753882 779888149 /nfs/dbraw/zinc/88/81/49/779888149.db2.gz LPTOMTIQCNCSTC-UHFFFAOYSA-N 1 0 296.371 -1.836 20 30 CAEDRO N#Cc1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[nH]1 ZINC001156691602 779888603 /nfs/dbraw/zinc/88/86/03/779888603.db2.gz VJOTXNMRVZVEEF-UHFFFAOYSA-N 1 0 292.299 -1.209 20 30 CAEDRO CN1CCOC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001156799161 779889766 /nfs/dbraw/zinc/88/97/66/779889766.db2.gz LZAWLWBHJUIEBY-LLVKDONJSA-N 1 0 297.359 -1.947 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001156852411 779890230 /nfs/dbraw/zinc/89/02/30/779890230.db2.gz CGBNJXAOIYHAJG-UHFFFAOYSA-N 1 0 294.355 -1.546 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001156853111 779890369 /nfs/dbraw/zinc/89/03/69/779890369.db2.gz YURQCBJYBZZBAO-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)NCC ZINC001156857634 779890407 /nfs/dbraw/zinc/89/04/07/779890407.db2.gz YVFNBOMDLDLYPU-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001156847790 779890541 /nfs/dbraw/zinc/89/05/41/779890541.db2.gz HNSFMDROZJTTJI-LLVKDONJSA-N 1 0 285.344 -1.771 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001156852777 779890603 /nfs/dbraw/zinc/89/06/03/779890603.db2.gz NKNNPBKBFOJZTJ-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CCOCCOC ZINC001156848331 779890772 /nfs/dbraw/zinc/89/07/72/779890772.db2.gz YHIZJMBESIYYFN-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001156847785 779890875 /nfs/dbraw/zinc/89/08/75/779890875.db2.gz HJEWBVWLBSZLIJ-SNVBAGLBSA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001156852690 779890936 /nfs/dbraw/zinc/89/09/36/779890936.db2.gz KJVRPGSGMCVTLJ-UHFFFAOYSA-N 1 0 293.331 -2.055 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]Cc1nnc(C)[nH]1 ZINC001156847717 779891000 /nfs/dbraw/zinc/89/10/00/779891000.db2.gz GEHVNWHWPNYDOZ-UHFFFAOYSA-N 1 0 292.343 -1.151 20 30 CAEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]CC(N)=O ZINC001156857075 779891044 /nfs/dbraw/zinc/89/10/44/779891044.db2.gz ANOTUMJXTVXGJJ-UHFFFAOYSA-N 1 0 254.290 -2.293 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CN1CN=NC1=O ZINC001156879493 779891555 /nfs/dbraw/zinc/89/15/55/779891555.db2.gz LCUBUJJAVHMAIK-UHFFFAOYSA-N 1 0 294.315 -2.171 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCC(=O)NC ZINC001156874158 779892073 /nfs/dbraw/zinc/89/20/73/779892073.db2.gz FQIRTLLTVHCKGI-UHFFFAOYSA-N 1 0 296.371 -1.252 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cncnc1 ZINC001156952874 779892599 /nfs/dbraw/zinc/89/25/99/779892599.db2.gz IHYCCMZPMVFKPJ-UHFFFAOYSA-N 1 0 275.312 -1.065 20 30 CAEDRO CNC(=O)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001156996064 779892884 /nfs/dbraw/zinc/89/28/84/779892884.db2.gz NEQSAQCDIIQTEZ-UHFFFAOYSA-N 1 0 269.305 -2.142 20 30 CAEDRO CNC(=O)CC(=O)NCCC[NH2+]CC#CCOC ZINC001157000640 779893071 /nfs/dbraw/zinc/89/30/71/779893071.db2.gz BHLQKTLTSQANEZ-UHFFFAOYSA-N 1 0 255.318 -1.132 20 30 CAEDRO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157040013 779893792 /nfs/dbraw/zinc/89/37/92/779893792.db2.gz LSCPSNUUSFEEHN-QMMMGPOBSA-N 1 0 284.320 -2.221 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC(=O)NC ZINC001157011512 779894048 /nfs/dbraw/zinc/89/40/48/779894048.db2.gz AWGZTTHFUNBWEJ-JTQLQIEISA-N 1 0 282.344 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)NC ZINC001157001601 779894079 /nfs/dbraw/zinc/89/40/79/779894079.db2.gz UYTLVNUNBRMUJH-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CC(=O)NC ZINC001157011984 779894191 /nfs/dbraw/zinc/89/41/91/779894191.db2.gz PGFJWUXTOVKMKD-UHFFFAOYSA-N 1 0 270.333 -1.479 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)NC(N)=O ZINC001157060960 779895224 /nfs/dbraw/zinc/89/52/24/779895224.db2.gz SYYDUYXLNZQNER-ZJUUUORDSA-N 1 0 299.375 -1.170 20 30 CAEDRO Cn1oc(C(=O)NCCC[NH2+]CC(=O)NCC#N)cc1=O ZINC001157127981 779895995 /nfs/dbraw/zinc/89/59/95/779895995.db2.gz ZTEGFHZCWUHKLY-UHFFFAOYSA-N 1 0 295.299 -1.672 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100585 779896409 /nfs/dbraw/zinc/89/64/09/779896409.db2.gz GOVCZVNUVSFHQT-UHFFFAOYSA-N 1 0 293.331 -1.596 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cncnc1 ZINC001157237132 779897942 /nfs/dbraw/zinc/89/79/42/779897942.db2.gz KVSJVHGVUDMVEU-UHFFFAOYSA-N 1 0 290.327 -1.245 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1cnnn1C ZINC001157349067 779900464 /nfs/dbraw/zinc/90/04/64/779900464.db2.gz GQAVGVIMWQTXAO-UHFFFAOYSA-N 1 0 280.332 -1.173 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1COC(=O)N1 ZINC001157370845 779901846 /nfs/dbraw/zinc/90/18/46/779901846.db2.gz LZCZJXITGQRJCH-VHSXEESVSA-N 1 0 298.343 -1.119 20 30 CAEDRO CCn1nncc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157556998 779909132 /nfs/dbraw/zinc/90/91/32/779909132.db2.gz DLURSCOTCVYQLP-UHFFFAOYSA-N 1 0 293.331 -1.353 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ncc[nH]1 ZINC001157610573 779909841 /nfs/dbraw/zinc/90/98/41/779909841.db2.gz HVFJAKHFURHDNV-UHFFFAOYSA-N 1 0 263.301 -1.131 20 30 CAEDRO Cc1nnc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)[nH]1 ZINC001157736382 779912383 /nfs/dbraw/zinc/91/23/83/779912383.db2.gz GTBQRDAPOQRGSI-UHFFFAOYSA-N 1 0 293.331 -1.609 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCOCC#C ZINC001157845944 779913902 /nfs/dbraw/zinc/91/39/02/779913902.db2.gz ISXGGHMIMZBICZ-UHFFFAOYSA-N 1 0 279.340 -1.128 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157853011 779914121 /nfs/dbraw/zinc/91/41/21/779914121.db2.gz POKSZUPSLSKDSI-UHFFFAOYSA-N 1 0 280.328 -1.238 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157869891 779914831 /nfs/dbraw/zinc/91/48/31/779914831.db2.gz UEOVCPHGTNXMJM-LLVKDONJSA-N 1 0 280.328 -1.240 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)OCC#C ZINC001157869186 779914902 /nfs/dbraw/zinc/91/49/02/779914902.db2.gz IILXTUKTEOREJX-GFCCVEGCSA-N 1 0 279.340 -1.130 20 30 CAEDRO C#CCOCCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001157852808 779914976 /nfs/dbraw/zinc/91/49/76/779914976.db2.gz JOMHWJTVLIQMET-JTQLQIEISA-N 1 0 298.343 -1.294 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157869892 779915221 /nfs/dbraw/zinc/91/52/21/779915221.db2.gz UEOVCPHGTNXMJM-NSHDSACASA-N 1 0 280.328 -1.240 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001157869122 779915327 /nfs/dbraw/zinc/91/53/27/779915327.db2.gz HABOCJNKDXNDHO-JTQLQIEISA-N 1 0 280.332 -1.156 20 30 CAEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157869562 779915414 /nfs/dbraw/zinc/91/54/14/779915414.db2.gz OZSJNPZKTXXCFA-UWVGGRQHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001157880546 779916328 /nfs/dbraw/zinc/91/63/28/779916328.db2.gz QQRHBZJMAYDJKB-VHSXEESVSA-N 1 0 298.343 -1.296 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)NC(N)=O ZINC001157939332 779920229 /nfs/dbraw/zinc/92/02/29/779920229.db2.gz NZVLRONQULWNSP-SNVBAGLBSA-N 1 0 297.359 -1.721 20 30 CAEDRO N#C[C@@H]1CNCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157981365 779922149 /nfs/dbraw/zinc/92/21/49/779922149.db2.gz CANAKBWXYABIRP-NXEZZACHSA-N 1 0 265.317 -2.359 20 30 CAEDRO N#C[C@H]1CNCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157982879 779922198 /nfs/dbraw/zinc/92/21/98/779922198.db2.gz URPZHXMIZLEUHL-DTWKUNHWSA-N 1 0 268.321 -1.914 20 30 CAEDRO N#C[C@H]1CNCCN1C(=O)CNC1CC[NH2+]CC1 ZINC001157981640 779922345 /nfs/dbraw/zinc/92/23/45/779922345.db2.gz FHBYYHZMEAHLHB-NSHDSACASA-N 1 0 251.334 -1.348 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCNC[C@H]1C#N ZINC001157982099 779922553 /nfs/dbraw/zinc/92/25/53/779922553.db2.gz IZULSHLARWUJRG-SECBINFHSA-N 1 0 289.361 -2.469 20 30 CAEDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNC[C@@H]1C#N ZINC001157982542 779922566 /nfs/dbraw/zinc/92/25/66/779922566.db2.gz OLWHMOLBMPZGQW-NHCYSSNCSA-N 1 0 281.360 -1.200 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCNC[C@@H]1C#N ZINC001157982100 779922575 /nfs/dbraw/zinc/92/25/75/779922575.db2.gz IZULSHLARWUJRG-VIFPVBQESA-N 1 0 289.361 -2.469 20 30 CAEDRO CCCCN(CC#N)C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001160734797 779979711 /nfs/dbraw/zinc/97/97/11/779979711.db2.gz KRUIAOQGKWPFIR-UWVGGRQHSA-N 1 0 270.333 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001158457169 779935594 /nfs/dbraw/zinc/93/55/94/779935594.db2.gz ACLOVHJSICEGGO-FZMZJTMJSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158663515 779937811 /nfs/dbraw/zinc/93/78/11/779937811.db2.gz LKSYWTIDMFPVSW-JTQLQIEISA-N 1 0 255.318 -1.133 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158917127 779941573 /nfs/dbraw/zinc/94/15/73/779941573.db2.gz YWIYDXSHNBMYQY-LLVKDONJSA-N 1 0 292.343 -1.488 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158916790 779941688 /nfs/dbraw/zinc/94/16/88/779941688.db2.gz UHHMYVRNVFGTPC-UHFFFAOYSA-N 1 0 280.332 -1.324 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001159248366 779944543 /nfs/dbraw/zinc/94/45/43/779944543.db2.gz FRCIOBQAQUWYBU-LLVKDONJSA-N 1 0 294.355 -1.690 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159201474 779944599 /nfs/dbraw/zinc/94/45/99/779944599.db2.gz XSWADFCBSSPNLW-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159189315 779944902 /nfs/dbraw/zinc/94/49/02/779944902.db2.gz GMATVIGBFOLAFZ-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159322435 779946312 /nfs/dbraw/zinc/94/63/12/779946312.db2.gz MTLXTRDEWPFMHI-UHFFFAOYSA-N 1 0 292.339 -1.334 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159355956 779946992 /nfs/dbraw/zinc/94/69/92/779946992.db2.gz PYGGTTMOVZQDPF-JTQLQIEISA-N 1 0 299.375 -1.298 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001159327400 779947258 /nfs/dbraw/zinc/94/72/58/779947258.db2.gz ISPVMMZMBXNMCX-UHFFFAOYSA-N 1 0 278.312 -1.724 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCn2c(CNC(C)=O)nnc2C1 ZINC001159929990 779953127 /nfs/dbraw/zinc/95/31/27/779953127.db2.gz NQJMIBMYOHUXBT-ZDUSSCGKSA-N 1 0 290.327 -1.393 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001160173248 779955901 /nfs/dbraw/zinc/95/59/01/779955901.db2.gz JHERPNXZTMRROK-UONOGXRCSA-N 1 0 292.339 -1.714 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160178108 779956420 /nfs/dbraw/zinc/95/64/20/779956420.db2.gz AVCCIEDUERPRDU-QMMMGPOBSA-N 1 0 254.290 -1.134 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001160227342 779957586 /nfs/dbraw/zinc/95/75/86/779957586.db2.gz CQAYRHWPAOTMBK-AAEUAGOBSA-N 1 0 297.355 -1.364 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160403074 779958011 /nfs/dbraw/zinc/95/80/11/779958011.db2.gz PJNORXOXIBMHGZ-UHFFFAOYSA-N 1 0 284.360 -1.104 20 30 CAEDRO C=CCN1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001160437373 779960272 /nfs/dbraw/zinc/96/02/72/779960272.db2.gz UEAPCUKRCNWLNH-QWRGUYRKSA-N 1 0 284.360 -1.859 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001160482711 779962542 /nfs/dbraw/zinc/96/25/42/779962542.db2.gz KMRPLKMHDKUNIT-TZMCWYRMSA-N 1 0 277.372 -1.004 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160484246 779962845 /nfs/dbraw/zinc/96/28/45/779962845.db2.gz UUWXVVGKMNDRCE-LBPRGKRZSA-N 1 0 293.371 -1.006 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(CCC#N)CC1 ZINC001160482900 779963025 /nfs/dbraw/zinc/96/30/25/779963025.db2.gz CIRRWMANOPXEHM-QWRGUYRKSA-N 1 0 297.359 -2.131 20 30 CAEDRO N#CCCN1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160483301 779962908 /nfs/dbraw/zinc/96/29/08/779962908.db2.gz ICRAVVKTTMVZBE-WDEREUQCSA-N 1 0 252.318 -1.375 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001160567275 779966894 /nfs/dbraw/zinc/96/68/94/779966894.db2.gz YWZAVZWPOCOJSC-SNVBAGLBSA-N 1 0 295.343 -1.609 20 30 CAEDRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C)CC#N ZINC001160584043 779967172 /nfs/dbraw/zinc/96/71/72/779967172.db2.gz LZMFGEPNJNRRBY-UWVGGRQHSA-N 1 0 295.343 -1.577 20 30 CAEDRO N#Cc1nccnc1N1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001160637425 779970756 /nfs/dbraw/zinc/97/07/56/779970756.db2.gz PUTQRPYSSXPLBB-JTQLQIEISA-N 1 0 290.327 -1.293 20 30 CAEDRO N#Cc1nccnc1N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001160638305 779970858 /nfs/dbraw/zinc/97/08/58/779970858.db2.gz ZZSCHVLTSJZAAZ-UHFFFAOYSA-N 1 0 289.343 -1.455 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnc[nH]c1=O ZINC001160639450 779971000 /nfs/dbraw/zinc/97/10/00/779971000.db2.gz CWKGZYQOXZHPKY-UHFFFAOYSA-N 1 0 291.311 -1.359 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C#N ZINC001160637358 779971177 /nfs/dbraw/zinc/97/11/77/779971177.db2.gz PHLMQFKMHPRNNP-GUBZILKMSA-N 1 0 295.343 -1.402 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C#N ZINC001160637353 779971278 /nfs/dbraw/zinc/97/12/78/779971278.db2.gz PHLMQFKMHPRNNP-AEJSXWLSSA-N 1 0 295.343 -1.402 20 30 CAEDRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160652621 779973580 /nfs/dbraw/zinc/97/35/80/779973580.db2.gz IGYZBZDTLNHGHN-NEPJUHHUSA-N 1 0 281.360 -1.056 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN[C@H](C#N)C1 ZINC001160651776 779973811 /nfs/dbraw/zinc/97/38/11/779973811.db2.gz YHTFUAYZSIUAEX-SECBINFHSA-N 1 0 289.361 -2.469 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CCN1 ZINC001160650760 779973985 /nfs/dbraw/zinc/97/39/85/779973985.db2.gz FQBKVSWFYUHKPK-RKDXNWHRSA-N 1 0 268.321 -1.914 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CCN1 ZINC001160651119 779974351 /nfs/dbraw/zinc/97/43/51/779974351.db2.gz KFONEUJQPQGMBT-ZJUUUORDSA-N 1 0 265.317 -2.359 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN[C@H](C#N)C1 ZINC001160653126 779975037 /nfs/dbraw/zinc/97/50/37/779975037.db2.gz VHTYFENEFCPZAK-YIZRAAEISA-N 1 0 269.305 -2.865 20 30 CAEDRO N#CCCN(CCC#N)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160751742 779979980 /nfs/dbraw/zinc/97/99/80/779979980.db2.gz YXVDSPHONZZKPX-LLVKDONJSA-N 1 0 277.328 -1.027 20 30 CAEDRO CCCCN(CC#N)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160735801 779980274 /nfs/dbraw/zinc/98/02/74/779980274.db2.gz YZZIBZXEXKKFGP-UWVGGRQHSA-N 1 0 297.359 -1.154 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@@H](C#N)C1 ZINC001160879219 779984861 /nfs/dbraw/zinc/98/48/61/779984861.db2.gz PZBZIVXWONCJCR-CIUDSAMLSA-N 1 0 270.289 -2.438 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CCO1 ZINC001160877769 779985163 /nfs/dbraw/zinc/98/51/63/779985163.db2.gz CAKQNQLGTVSAGG-ZJUUUORDSA-N 1 0 266.301 -1.932 20 30 CAEDRO N#C[C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CCO1 ZINC001160877767 779985497 /nfs/dbraw/zinc/98/54/97/779985497.db2.gz CAKQNQLGTVSAGG-UWVGGRQHSA-N 1 0 266.301 -1.932 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C#N)C1 ZINC001160879685 779985525 /nfs/dbraw/zinc/98/55/25/779985525.db2.gz RZRSUOVBSRVCFL-GSRNSYJJSA-N 1 0 259.331 -1.167 20 30 CAEDRO N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CCO1 ZINC001160878471 779985591 /nfs/dbraw/zinc/98/55/91/779985591.db2.gz JLOLQTBOVBRCIK-ZJUUUORDSA-N 1 0 266.301 -1.313 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCN(C)[C@H](C(=O)OC)C1 ZINC001160870820 779985647 /nfs/dbraw/zinc/98/56/47/779985647.db2.gz NDVUPLGGMGZJET-CABZTGNLSA-N 1 0 253.302 -1.347 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H](C#N)C1 ZINC001160877820 779985734 /nfs/dbraw/zinc/98/57/34/779985734.db2.gz DBEFEODTIMHBEO-VIFPVBQESA-N 1 0 290.345 -2.042 20 30 CAEDRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C#N ZINC001160933153 779987416 /nfs/dbraw/zinc/98/74/16/779987416.db2.gz IFDIQENTXBLMFW-GSRNSYJJSA-N 1 0 259.331 -1.167 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160933635 779987585 /nfs/dbraw/zinc/98/75/85/779987585.db2.gz MSKNYIZETFPEFE-NXEZZACHSA-N 1 0 266.301 -1.932 20 30 CAEDRO N#C[C@H]1COCCN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001160933937 779987698 /nfs/dbraw/zinc/98/76/98/779987698.db2.gz QYMJWLZDGUWUTL-DTWKUNHWSA-N 1 0 269.305 -1.487 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160932812 779987727 /nfs/dbraw/zinc/98/77/27/779987727.db2.gz FTBLIRLJCJTAJK-ZRUFSTJUSA-N 1 0 250.302 -1.313 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCOC[C@@H]1C#N ZINC001160933413 779987753 /nfs/dbraw/zinc/98/77/53/779987753.db2.gz KDSMRGWUBWDOPH-CIUDSAMLSA-N 1 0 270.289 -2.438 20 30 CAEDRO N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160932811 779987792 /nfs/dbraw/zinc/98/77/92/779987792.db2.gz FTBLIRLJCJTAJK-XWLWVQCSSA-N 1 0 250.302 -1.313 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160932304 779987919 /nfs/dbraw/zinc/98/79/19/779987919.db2.gz AVBQDQIWSFMRLJ-FOGDFJRCSA-N 1 0 250.302 -1.311 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160932306 779987924 /nfs/dbraw/zinc/98/79/24/779987924.db2.gz AVBQDQIWSFMRLJ-HOSYDEDBSA-N 1 0 250.302 -1.311 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160932303 779988008 /nfs/dbraw/zinc/98/80/08/779988008.db2.gz AVBQDQIWSFMRLJ-CKYFFXLPSA-N 1 0 250.302 -1.311 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160932308 779988099 /nfs/dbraw/zinc/98/80/99/779988099.db2.gz AVBQDQIWSFMRLJ-UMNHJUIQSA-N 1 0 250.302 -1.311 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160934267 779988231 /nfs/dbraw/zinc/98/82/31/779988231.db2.gz ZRMYQCLPONJPSY-BFLSOPEQSA-N 1 0 250.302 -1.041 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@@H]1C#N ZINC001160932633 779988296 /nfs/dbraw/zinc/98/82/96/779988296.db2.gz CVAUWWGTZXWCJQ-CIUDSAMLSA-N 1 0 297.315 -2.555 20 30 CAEDRO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001161138911 779998573 /nfs/dbraw/zinc/99/85/73/779998573.db2.gz GXERYTGSRKQAQO-LPEHRKFASA-N 1 0 268.292 -1.221 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](F)C[C@H]1C#N ZINC001161140828 779998695 /nfs/dbraw/zinc/99/86/95/779998695.db2.gz NETDPSKCCMUJKC-JBDRJPRFSA-N 1 0 299.306 -1.844 20 30 CAEDRO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001161138910 779998921 /nfs/dbraw/zinc/99/89/21/779998921.db2.gz GXERYTGSRKQAQO-GUBZILKMSA-N 1 0 268.292 -1.221 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CNC(=O)CNC(C)=O ZINC001161167500 780000566 /nfs/dbraw/zinc/00/05/66/780000566.db2.gz ABBVMOLVVKTPSE-UHFFFAOYSA-N 1 0 268.317 -2.032 20 30 CAEDRO C=CCC[NH2+]CCCNC(=O)CNC(=O)CNC(C)=O ZINC001161174394 780001588 /nfs/dbraw/zinc/00/15/88/780001588.db2.gz PVHQQCDULBISSG-UHFFFAOYSA-N 1 0 284.360 -1.089 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CNC(=O)CNC(C)=O ZINC001161174138 780001892 /nfs/dbraw/zinc/00/18/92/780001892.db2.gz CLBJFSUPLBJPKW-UHFFFAOYSA-N 1 0 282.344 -1.642 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001161394009 780011876 /nfs/dbraw/zinc/01/18/76/780011876.db2.gz BAWXHCWGXAARMK-UHFFFAOYSA-N 1 0 266.345 -1.511 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161461530 780015727 /nfs/dbraw/zinc/01/57/27/780015727.db2.gz KLVRWTXUCMPOSS-UHFFFAOYSA-N 1 0 253.306 -1.136 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001161491701 780016888 /nfs/dbraw/zinc/01/68/88/780016888.db2.gz IDNWWWRIGFSPJA-CYBMUJFWSA-N 1 0 280.328 -1.017 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001161492664 780016988 /nfs/dbraw/zinc/01/69/88/780016988.db2.gz UIAAMCWYNYDEQL-ZJUUUORDSA-N 1 0 281.312 -1.128 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001161492663 780017350 /nfs/dbraw/zinc/01/73/50/780017350.db2.gz UIAAMCWYNYDEQL-VHSXEESVSA-N 1 0 281.312 -1.128 20 30 CAEDRO COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001161492649 780017357 /nfs/dbraw/zinc/01/73/57/780017357.db2.gz SZENVZKZIBOXND-ZJUUUORDSA-N 1 0 280.328 -1.019 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1cn[nH]n1 ZINC001161691780 780025441 /nfs/dbraw/zinc/02/54/41/780025441.db2.gz WFDSDLRCXPHSAU-UHFFFAOYSA-N 1 0 265.277 -1.846 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1cn[nH]n1 ZINC001161690868 780026300 /nfs/dbraw/zinc/02/63/00/780026300.db2.gz KIVYTDPLKGUELY-UHFFFAOYSA-N 1 0 266.305 -1.184 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cn[nH]n1 ZINC001161710539 780026461 /nfs/dbraw/zinc/02/64/61/780026461.db2.gz MAGURKPMIOUPJI-VIFPVBQESA-N 1 0 278.316 -1.348 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001161958540 780028577 /nfs/dbraw/zinc/02/85/77/780028577.db2.gz ZXRVZHHZDJSQFR-UHFFFAOYSA-N 1 0 264.285 -1.322 20 30 CAEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001163038471 780054613 /nfs/dbraw/zinc/05/46/13/780054613.db2.gz QUHIZJMADQJIRO-VIFPVBQESA-N 1 0 289.357 -1.819 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1CCNC(=O)C1 ZINC001163872798 780061958 /nfs/dbraw/zinc/06/19/58/780061958.db2.gz BLYKLIRVQUEXFK-UHFFFAOYSA-N 1 0 252.318 -1.853 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001163912299 780063058 /nfs/dbraw/zinc/06/30/58/780063058.db2.gz DYGFVXSBGRECLA-NXEZZACHSA-N 1 0 295.343 -1.766 20 30 CAEDRO C[C@H](CC(N)=O)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001163912852 780063531 /nfs/dbraw/zinc/06/35/31/780063531.db2.gz OVMPIGBOEYTPFH-SECBINFHSA-N 1 0 283.332 -1.766 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001163924554 780064673 /nfs/dbraw/zinc/06/46/73/780064673.db2.gz QNCORXLGOJHWAB-QWRGUYRKSA-N 1 0 294.355 -1.657 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001163924555 780064768 /nfs/dbraw/zinc/06/47/68/780064768.db2.gz QNCORXLGOJHWAB-WDEREUQCSA-N 1 0 294.355 -1.657 20 30 CAEDRO CN1C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)NC1=O ZINC001163939285 780065530 /nfs/dbraw/zinc/06/55/30/780065530.db2.gz IFAFKFPQAWDZDV-SECBINFHSA-N 1 0 296.331 -2.254 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163934955 780065780 /nfs/dbraw/zinc/06/57/80/780065780.db2.gz WBVRJUDHXGGQNV-QWRGUYRKSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001163939426 780066027 /nfs/dbraw/zinc/06/60/27/780066027.db2.gz MHUSMRAKWMSPKL-JTQLQIEISA-N 1 0 295.343 -2.145 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163943439 780066585 /nfs/dbraw/zinc/06/65/85/780066585.db2.gz FBRCRTCVVWKSFE-NSHDSACASA-N 1 0 267.329 -1.132 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CCNC1=O ZINC001163943438 780066897 /nfs/dbraw/zinc/06/68/97/780066897.db2.gz FBRCRTCVVWKSFE-LLVKDONJSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163943308 780067049 /nfs/dbraw/zinc/06/70/49/780067049.db2.gz AFKRFQIPIKFWAT-JTQLQIEISA-N 1 0 282.344 -1.479 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCNC1=O ZINC001163943540 780067205 /nfs/dbraw/zinc/06/72/05/780067205.db2.gz HLNMFEOYILQTBI-JTQLQIEISA-N 1 0 280.328 -2.032 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164153335 780069881 /nfs/dbraw/zinc/06/98/81/780069881.db2.gz DYDMDWVMEDSOCX-UHFFFAOYSA-N 1 0 279.304 -2.331 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164163311 780070321 /nfs/dbraw/zinc/07/03/21/780070321.db2.gz OVNXOWCXTOZZHG-SECBINFHSA-N 1 0 293.331 -1.943 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001164287696 780070502 /nfs/dbraw/zinc/07/05/02/780070502.db2.gz BNUGBPKVHZSSRJ-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164163853 780071137 /nfs/dbraw/zinc/07/11/37/780071137.db2.gz VBRDVELXXWXCMV-VIFPVBQESA-N 1 0 295.347 -1.390 20 30 CAEDRO Cc1cc(N2CCNC(=O)C23C[NH2+]C3)nc(C#N)n1 ZINC001165298322 780077246 /nfs/dbraw/zinc/07/72/46/780077246.db2.gz OJDPDXJUNFLDAO-UHFFFAOYSA-N 1 0 258.285 -1.065 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(=O)cn1 ZINC001165295691 780077588 /nfs/dbraw/zinc/07/75/88/780077588.db2.gz KJHDEEMTDARNGR-UHFFFAOYSA-N 1 0 291.311 -1.771 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(=O)cn1 ZINC001165286970 780078345 /nfs/dbraw/zinc/07/83/45/780078345.db2.gz NDXSUUYHHBBCIH-UHFFFAOYSA-N 1 0 292.299 -1.881 20 30 CAEDRO Cc1nc(C#N)cnc1N1CCNC(=O)C12C[NH2+]C2 ZINC001165302156 780079469 /nfs/dbraw/zinc/07/94/69/780079469.db2.gz KHWQVMMQCVICOP-UHFFFAOYSA-N 1 0 258.285 -1.065 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165467076 780081113 /nfs/dbraw/zinc/08/11/13/780081113.db2.gz LGWWPDGBFXNMOL-VIFPVBQESA-N 1 0 281.316 -2.487 20 30 CAEDRO C=CCOCC[NH2+]CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165474629 780081815 /nfs/dbraw/zinc/08/18/15/780081815.db2.gz KQYJKVDZTIVDCW-SNVBAGLBSA-N 1 0 270.333 -1.034 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C1(C(N)=O)CC1 ZINC001165595710 780083447 /nfs/dbraw/zinc/08/34/47/780083447.db2.gz BWXGBVBFIPIWPB-UHFFFAOYSA-N 1 0 282.344 -1.350 20 30 CAEDRO CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)C(N)=O ZINC001165614696 780085653 /nfs/dbraw/zinc/08/56/53/780085653.db2.gz ZOAFXXOLDKULPP-UHFFFAOYSA-N 1 0 283.332 -1.670 20 30 CAEDRO Cn1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)[nH]c1=O ZINC001165836530 780088678 /nfs/dbraw/zinc/08/86/78/780088678.db2.gz BBZNLEBSDZMQGI-UHFFFAOYSA-N 1 0 294.315 -1.525 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001166089270 780089764 /nfs/dbraw/zinc/08/97/64/780089764.db2.gz NUYGPYMPVBAWBU-AWEZNQCLSA-N 1 0 294.355 -1.500 20 30 CAEDRO C[C@@]1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCC(=O)N1 ZINC001166088864 780090031 /nfs/dbraw/zinc/09/00/31/780090031.db2.gz IUBUMZCCFSDOAG-ZDUSSCGKSA-N 1 0 295.343 -1.609 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](COC)OC ZINC001166151080 780090321 /nfs/dbraw/zinc/09/03/21/780090321.db2.gz OIRZZZHKNPYGII-NSHDSACASA-N 1 0 285.344 -1.507 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@]1(C)CCNC1=O ZINC001166551914 780090798 /nfs/dbraw/zinc/09/07/98/780090798.db2.gz FRKMJZMHPOITIA-CQSZACIVSA-N 1 0 296.371 -1.089 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166796241 780097427 /nfs/dbraw/zinc/09/74/27/780097427.db2.gz GHSIFLJASQZLST-AXFHLTTASA-N 1 0 294.355 -1.658 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166796054 780097573 /nfs/dbraw/zinc/09/75/73/780097573.db2.gz BWOISBXIZVRRIZ-ZJUUUORDSA-N 1 0 282.344 -1.494 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166819762 780097584 /nfs/dbraw/zinc/09/75/84/780097584.db2.gz FYARLMAAOHAMJL-MXWKQRLJSA-N 1 0 296.371 -1.106 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166805379 780097596 /nfs/dbraw/zinc/09/75/96/780097596.db2.gz KVNJWKVKSMPQEV-BDAKNGLRSA-N 1 0 281.316 -2.157 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166789463 780097809 /nfs/dbraw/zinc/09/78/09/780097809.db2.gz UBVQPADERIMLGF-ZJUUUORDSA-N 1 0 280.328 -2.047 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166796242 780097845 /nfs/dbraw/zinc/09/78/45/780097845.db2.gz GHSIFLJASQZLST-MXWKQRLJSA-N 1 0 294.355 -1.658 20 30 CAEDRO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166923885 780098600 /nfs/dbraw/zinc/09/86/00/780098600.db2.gz RNHJNMCMZYZFPA-UHFFFAOYSA-N 1 0 282.344 -1.350 20 30 CAEDRO COCC#CC[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166929109 780099074 /nfs/dbraw/zinc/09/90/74/780099074.db2.gz IESGILDNKURXAB-UHFFFAOYSA-N 1 0 267.329 -1.002 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C(N)=O)CC1 ZINC001166951452 780100495 /nfs/dbraw/zinc/10/04/95/780100495.db2.gz FLEYGIFSPHHABI-SNVBAGLBSA-N 1 0 294.355 -1.514 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205050216 780103987 /nfs/dbraw/zinc/10/39/87/780103987.db2.gz MRLCTVRFCLLQDR-UHFFFAOYSA-N 1 0 294.355 -1.561 20 30 CAEDRO C#CC[NH2+]CC1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001205852218 780106421 /nfs/dbraw/zinc/10/64/21/780106421.db2.gz AQRMZSHWNWEIDH-UHFFFAOYSA-N 1 0 292.383 -1.120 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1C ZINC001206887604 780112835 /nfs/dbraw/zinc/11/28/35/780112835.db2.gz SHTFXWKKRIDTQN-IJLUTSLNSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CC[NH2+]CC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001206917771 780114011 /nfs/dbraw/zinc/11/40/11/780114011.db2.gz XNQBOLLTYLNVPN-UHFFFAOYSA-N 1 0 292.339 -1.000 20 30 CAEDRO C#CC[NH2+]CC1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001206934424 780114202 /nfs/dbraw/zinc/11/42/02/780114202.db2.gz KVRKIVZIZRIOKB-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207222484 780115193 /nfs/dbraw/zinc/11/51/93/780115193.db2.gz PUXRELJDJWQETK-LBPRGKRZSA-N 1 0 292.343 -1.097 20 30 CAEDRO CC(=O)NCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207101857 780115614 /nfs/dbraw/zinc/11/56/14/780115614.db2.gz VTXRCONZNDFZOZ-LLVKDONJSA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259257 780117027 /nfs/dbraw/zinc/11/70/27/780117027.db2.gz ZDSVZNKIZQXUBR-JTQLQIEISA-N 1 0 295.343 -2.015 20 30 CAEDRO COCC(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001276528964 780117255 /nfs/dbraw/zinc/11/72/55/780117255.db2.gz QJECEXCXXPAFDG-SNVBAGLBSA-N 1 0 268.317 -1.243 20 30 CAEDRO COCC(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001276528963 780117415 /nfs/dbraw/zinc/11/74/15/780117415.db2.gz QJECEXCXXPAFDG-JTQLQIEISA-N 1 0 268.317 -1.243 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258767 780117672 /nfs/dbraw/zinc/11/76/72/780117672.db2.gz RXQKDLSFCWLGMS-JTQLQIEISA-N 1 0 297.359 -1.463 20 30 CAEDRO C=CCOCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001207680985 780118990 /nfs/dbraw/zinc/11/89/90/780118990.db2.gz YCURBNJVFCEYFO-JTQLQIEISA-N 1 0 298.343 -1.036 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724573 780119083 /nfs/dbraw/zinc/11/90/83/780119083.db2.gz AJVMRVWXFVTQKT-JTQLQIEISA-N 1 0 280.328 -1.808 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725955 780120649 /nfs/dbraw/zinc/12/06/49/780120649.db2.gz UTOLXNGHKTVEAV-MNOVXSKESA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001207871862 780121558 /nfs/dbraw/zinc/12/15/58/780121558.db2.gz DQPGEMAFMDEVRU-QWRGUYRKSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001207871861 780121794 /nfs/dbraw/zinc/12/17/94/780121794.db2.gz DQPGEMAFMDEVRU-MNOVXSKESA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001207871876 780121907 /nfs/dbraw/zinc/12/19/07/780121907.db2.gz DUYCYAMCHWMCBJ-LLVKDONJSA-N 1 0 267.329 -1.301 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001208163583 780125102 /nfs/dbraw/zinc/12/51/02/780125102.db2.gz KTAXLVDQESKFQV-NXEZZACHSA-N 1 0 288.373 -1.890 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208440018 780127208 /nfs/dbraw/zinc/12/72/08/780127208.db2.gz XQVVEZFMZQIRSM-LBPRGKRZSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001208440017 780127302 /nfs/dbraw/zinc/12/73/02/780127302.db2.gz XQVVEZFMZQIRSM-GFCCVEGCSA-N 1 0 294.355 -1.548 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001208486426 780128678 /nfs/dbraw/zinc/12/86/78/780128678.db2.gz LAWZXZGNTIFAQJ-SECBINFHSA-N 1 0 291.315 -1.361 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001208486427 780128992 /nfs/dbraw/zinc/12/89/92/780128992.db2.gz LAWZXZGNTIFAQJ-VIFPVBQESA-N 1 0 291.315 -1.361 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001208896963 780130543 /nfs/dbraw/zinc/13/05/43/780130543.db2.gz HGDKCBKGBKMVJC-OUAUKWLOSA-N 1 0 287.385 -1.006 20 30 CAEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001208896961 780130663 /nfs/dbraw/zinc/13/06/63/780130663.db2.gz HGDKCBKGBKMVJC-GMTAPVOTSA-N 1 0 287.385 -1.006 20 30 CAEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209217543 780131965 /nfs/dbraw/zinc/13/19/65/780131965.db2.gz JFYUIAMLZBRSSR-ADEWGFFLSA-N 1 0 294.355 -1.564 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209315275 780132812 /nfs/dbraw/zinc/13/28/12/780132812.db2.gz PZCUFBJHHFNRKR-NEPJUHHUSA-N 1 0 294.355 -1.102 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209315280 780133260 /nfs/dbraw/zinc/13/32/60/780133260.db2.gz PZCUFBJHHFNRKR-VXGBXAGGSA-N 1 0 294.355 -1.102 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385680 780134071 /nfs/dbraw/zinc/13/40/71/780134071.db2.gz GSMRUNPLIFTXDO-MRVPVSSYSA-N 1 0 267.289 -2.308 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209367251 780134500 /nfs/dbraw/zinc/13/45/00/780134500.db2.gz ZWSVYVBLLDYCKZ-NXEZZACHSA-N 1 0 282.344 -1.257 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385511 780134586 /nfs/dbraw/zinc/13/45/86/780134586.db2.gz FEGQMEXIMHDKCF-SECBINFHSA-N 1 0 268.317 -1.646 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)C(N)=O)C1CC1 ZINC001276647824 780134829 /nfs/dbraw/zinc/13/48/29/780134829.db2.gz AAKZNMMSVNYLMW-SCZZXKLOSA-N 1 0 282.344 -1.353 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366555 780134847 /nfs/dbraw/zinc/13/48/47/780134847.db2.gz QYTQQTFYZNQPEG-ZJUUUORDSA-N 1 0 280.328 -1.810 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001276648487 780135725 /nfs/dbraw/zinc/13/57/25/780135725.db2.gz OHXZDOXZPDLRIP-NEPJUHHUSA-N 1 0 294.355 -1.198 20 30 CAEDRO COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001276648488 780135838 /nfs/dbraw/zinc/13/58/38/780135838.db2.gz OHXZDOXZPDLRIP-NWDGAFQWSA-N 1 0 294.355 -1.198 20 30 CAEDRO COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001276648490 780135937 /nfs/dbraw/zinc/13/59/37/780135937.db2.gz OHXZDOXZPDLRIP-VXGBXAGGSA-N 1 0 294.355 -1.198 20 30 CAEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211125338 780142504 /nfs/dbraw/zinc/14/25/04/780142504.db2.gz DEIQHOKSESACNG-JTQLQIEISA-N 1 0 273.358 -1.251 20 30 CAEDRO CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214059159 780148395 /nfs/dbraw/zinc/14/83/95/780148395.db2.gz QMPFRGXYCABWLP-MWLCHTKSSA-N 1 0 295.343 -1.801 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1C ZINC001214005152 780148424 /nfs/dbraw/zinc/14/84/24/780148424.db2.gz IZGLHKPIGUOHFP-GHMZBOCLSA-N 1 0 267.329 -1.181 20 30 CAEDRO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214120823 780149709 /nfs/dbraw/zinc/14/97/09/780149709.db2.gz WKLHMVLIFPEDNQ-RKDXNWHRSA-N 1 0 296.331 -2.269 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214370061 780151206 /nfs/dbraw/zinc/15/12/06/780151206.db2.gz IWEXFQSDFALQDB-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214373179 780151400 /nfs/dbraw/zinc/15/14/00/780151400.db2.gz OGBHFRAWBHIFLY-OUAUKWLOSA-N 1 0 294.355 -1.564 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214373668 780151696 /nfs/dbraw/zinc/15/16/96/780151696.db2.gz WYZVHIZCLHNMEL-OUAUKWLOSA-N 1 0 296.371 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001214472488 780152810 /nfs/dbraw/zinc/15/28/10/780152810.db2.gz RUJQDZBPWFXJSV-GHMZBOCLSA-N 1 0 294.355 -1.692 20 30 CAEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001214473302 780153211 /nfs/dbraw/zinc/15/32/11/780153211.db2.gz CVPZRHLXTKJNBL-IJLUTSLNSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C ZINC001214499330 780153236 /nfs/dbraw/zinc/15/32/36/780153236.db2.gz BUZUKXXQAXQRFT-GHMZBOCLSA-N 1 0 294.355 -1.692 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C ZINC001214499517 780153263 /nfs/dbraw/zinc/15/32/63/780153263.db2.gz LMILEDCNINYZAD-GHMZBOCLSA-N 1 0 296.371 -1.139 20 30 CAEDRO C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001214608780 780153314 /nfs/dbraw/zinc/15/33/14/780153314.db2.gz JPCXTKAXLRQDRX-GHMZBOCLSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001214784739 780154373 /nfs/dbraw/zinc/15/43/73/780154373.db2.gz SBTYDZLPFALGPJ-NXEZZACHSA-N 1 0 252.318 -1.015 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001215045072 780155415 /nfs/dbraw/zinc/15/54/15/780155415.db2.gz SACAGYNRRVGOSP-MWLCHTKSSA-N 1 0 290.327 -1.396 20 30 CAEDRO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215045062 780155699 /nfs/dbraw/zinc/15/56/99/780155699.db2.gz RGANBYXCQKXMJA-PSASIEDQSA-N 1 0 291.315 -1.505 20 30 CAEDRO C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C ZINC001215798194 780156246 /nfs/dbraw/zinc/15/62/46/780156246.db2.gz OVDYPPYTHSKNHN-ADEWGFFLSA-N 1 0 294.355 -1.564 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215439247 780156473 /nfs/dbraw/zinc/15/64/73/780156473.db2.gz SXKBVEKQQMFTJF-RKDXNWHRSA-N 1 0 268.317 -1.790 20 30 CAEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001215964815 780158397 /nfs/dbraw/zinc/15/83/97/780158397.db2.gz LJHQPUZKDRYNGX-GHMZBOCLSA-N 1 0 292.339 -1.002 20 30 CAEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001216778541 780158910 /nfs/dbraw/zinc/15/89/10/780158910.db2.gz NPDJWUZJYVQQKV-GHMZBOCLSA-N 1 0 287.385 -1.005 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CC ZINC001276752889 780160766 /nfs/dbraw/zinc/16/07/66/780160766.db2.gz VUGGBHPYYIBASA-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C[C@H]1CC ZINC001276752885 780161336 /nfs/dbraw/zinc/16/13/36/780161336.db2.gz VUGGBHPYYIBASA-MNOVXSKESA-N 1 0 296.371 -1.009 20 30 CAEDRO C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001217560829 780162925 /nfs/dbraw/zinc/16/29/25/780162925.db2.gz PKAMIZROQJFUMJ-NWDGAFQWSA-N 1 0 297.355 -1.024 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001276769594 780163859 /nfs/dbraw/zinc/16/38/59/780163859.db2.gz PBHUTGBIAQGMJC-VXGBXAGGSA-N 1 0 292.343 -1.098 20 30 CAEDRO CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001276769591 780164188 /nfs/dbraw/zinc/16/41/88/780164188.db2.gz PBHUTGBIAQGMJC-NEPJUHHUSA-N 1 0 292.343 -1.098 20 30 CAEDRO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cnc(C#N)cn1 ZINC001218504605 780165308 /nfs/dbraw/zinc/16/53/08/780165308.db2.gz QGKXQRRTLVUNHP-UHFFFAOYSA-N 1 0 298.328 -1.493 20 30 CAEDRO N#Cc1cnc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cn1 ZINC001218504791 780165583 /nfs/dbraw/zinc/16/55/83/780165583.db2.gz TYTAKBOBTSIWSK-SECBINFHSA-N 1 0 274.284 -1.383 20 30 CAEDRO N#Cc1cnc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cn1 ZINC001218504792 780165683 /nfs/dbraw/zinc/16/56/83/780165683.db2.gz TYTAKBOBTSIWSK-VIFPVBQESA-N 1 0 274.284 -1.383 20 30 CAEDRO N=C(c1nonc1N)N([O-])C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218516385 780166876 /nfs/dbraw/zinc/16/68/76/780166876.db2.gz GVNUSRVGHARNQR-RXMQYKEDSA-N 1 0 281.276 -1.996 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001218516405 780167478 /nfs/dbraw/zinc/16/74/78/780167478.db2.gz HOXKDSXLTURDNY-SCDXWVJYSA-N 1 0 252.234 -1.340 20 30 CAEDRO N=C(c1nonc1N)N(O)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001218517922 780167554 /nfs/dbraw/zinc/16/75/54/780167554.db2.gz PKRBIEFVTDCBBN-INWPNSDISA-N 1 0 281.276 -1.583 20 30 CAEDRO C[NH2+][C@@H](CCCC[NH3+])C(=O)N([O-])C(=N)c1nonc1N ZINC001218518868 780168485 /nfs/dbraw/zinc/16/84/85/780168485.db2.gz VXBGRTFRESHVSW-LURJTMIESA-N 1 0 285.308 -1.088 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)nc1C#N ZINC001218596105 780172970 /nfs/dbraw/zinc/17/29/70/780172970.db2.gz UWNDVUSIWWBSNR-WDSKDSINSA-N 1 0 273.256 -1.537 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@]2(N)CCC[NH2+]C2)nc1C#N ZINC001218594775 780173028 /nfs/dbraw/zinc/17/30/28/780173028.db2.gz IXMFXEHUDVSGED-GFCCVEGCSA-N 1 0 286.299 -1.178 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)CN2CC[NH2+]CC2)nc1C#N ZINC001218596012 780173324 /nfs/dbraw/zinc/17/33/24/780173324.db2.gz UHWXZUFBYQHCFH-UHFFFAOYSA-N 1 0 286.299 -1.354 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1[nH]cnc1C#N ZINC001218594615 780173440 /nfs/dbraw/zinc/17/34/40/780173440.db2.gz HHSTTXLVYMBIAY-WDSKDSINSA-N 1 0 293.287 -2.073 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc(C#N)n1 ZINC001218590491 780173596 /nfs/dbraw/zinc/17/35/96/780173596.db2.gz YIDYGTNUCFYIDX-CBAPKCEASA-N 1 0 277.284 -1.284 20 30 CAEDRO N#Cc1nc[nH]c1NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001218595871 780173650 /nfs/dbraw/zinc/17/36/50/780173650.db2.gz XAYUGJBXERBJGV-ZCFIWIBFSA-N 1 0 265.277 -1.004 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)nc1C#N ZINC001218594518 780173878 /nfs/dbraw/zinc/17/38/78/780173878.db2.gz GDUHTLFVVWCVDI-WPPNPWJKSA-N 1 0 298.310 -1.308 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@]2(N)CC[NH2+]C2)nc1C#N ZINC001218596113 780173910 /nfs/dbraw/zinc/17/39/10/780173910.db2.gz VHJZTXKSUGVULS-LLVKDONJSA-N 1 0 272.272 -1.569 20 30 CAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2CC[NH2+]2)c1N ZINC001218597628 780174511 /nfs/dbraw/zinc/17/45/11/780174511.db2.gz ZVALDIYZNCYFJX-QMMMGPOBSA-N 1 0 273.300 -1.016 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@H]2C[NH2+]C[C@H]2O)nc1C#N ZINC001218596397 780174615 /nfs/dbraw/zinc/17/46/15/780174615.db2.gz ZGJVGKOHCPAYAB-YLWLKBPMSA-N 1 0 273.256 -1.679 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1[nH]cnc1C#N ZINC001218596407 780174877 /nfs/dbraw/zinc/17/48/77/780174877.db2.gz ZNAROOFXLCNBPM-WDSKDSINSA-N 1 0 266.261 -1.956 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@]2(N)CC[NH2+]C2)nc1C#N ZINC001218596114 780174959 /nfs/dbraw/zinc/17/49/59/780174959.db2.gz VHJZTXKSUGVULS-NSHDSACASA-N 1 0 272.272 -1.569 20 30 CAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)C[C@H](O)C[NH3+])c1N ZINC001218596775 780175045 /nfs/dbraw/zinc/17/50/45/780175045.db2.gz MWPSZHMQFDTCIW-ZETCQYMHSA-N 1 0 291.315 -1.668 20 30 CAEDRO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H](N)C[NH3+])c1N ZINC001218596733 780175061 /nfs/dbraw/zinc/17/50/61/780175061.db2.gz LVNJWZWNPQIXOX-ZETCQYMHSA-N 1 0 276.304 -2.092 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)C2(N)CC[NH2+]CC2)nc1C#N ZINC001218596170 780175137 /nfs/dbraw/zinc/17/51/37/780175137.db2.gz WLRSYTCKFLOSQH-UHFFFAOYSA-N 1 0 286.299 -1.178 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)nc1C#N ZINC001218596394 780175242 /nfs/dbraw/zinc/17/52/42/780175242.db2.gz ZGJVGKOHCPAYAB-SVGQVSJJSA-N 1 0 273.256 -1.679 20 30 CAEDRO N#Cc1nc(N)c(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)nc1C#N ZINC001218596371 780175422 /nfs/dbraw/zinc/17/54/22/780175422.db2.gz YLKOZEXBYPYYGX-RITPCOANSA-N 1 0 272.272 -1.570 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791605 780177921 /nfs/dbraw/zinc/17/79/21/780177921.db2.gz WEMQWULWFZGZGX-NXEZZACHSA-N 1 0 296.327 -2.573 20 30 CAEDRO Cc1nc(C#N)c(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)o1 ZINC001218650011 780177957 /nfs/dbraw/zinc/17/79/57/780177957.db2.gz QPCMHMDXZMLRKR-FSPLSTOPSA-N 1 0 281.272 -1.383 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001218638053 780178031 /nfs/dbraw/zinc/17/80/31/780178031.db2.gz VMHKQCQKRXMRNM-JTQLQIEISA-N 1 0 296.294 -1.027 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791607 780178128 /nfs/dbraw/zinc/17/81/28/780178128.db2.gz WEMQWULWFZGZGX-VHSXEESVSA-N 1 0 296.327 -2.573 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001276791609 780178315 /nfs/dbraw/zinc/17/83/15/780178315.db2.gz WEMQWULWFZGZGX-ZJUUUORDSA-N 1 0 296.327 -2.573 20 30 CAEDRO N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001218637132 780178743 /nfs/dbraw/zinc/17/87/43/780178743.db2.gz GAUCZYHEWAIVQQ-UWVGGRQHSA-N 1 0 297.278 -1.009 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])c1N ZINC001218661100 780179373 /nfs/dbraw/zinc/17/93/73/780179373.db2.gz URJGMYGVYUOKQU-ZETCQYMHSA-N 1 0 277.288 -1.491 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)c(C#C)n1 ZINC001218657618 780179407 /nfs/dbraw/zinc/17/94/07/780179407.db2.gz PIJFBXZERBLEOS-ONGXEEELSA-N 1 0 256.265 -1.042 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1[nH]ccc1C#N ZINC001218653923 780179466 /nfs/dbraw/zinc/17/94/66/780179466.db2.gz DHEOREUCSKXOKJ-XPUUQOCRSA-N 1 0 292.299 -1.468 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)c1N ZINC001218661211 780179480 /nfs/dbraw/zinc/17/94/80/780179480.db2.gz XSBXITQEBKNDBQ-VIFPVBQESA-N 1 0 292.347 -1.690 20 30 CAEDRO N#Cc1c(N)nn(C(=O)CNC2CC[NH2+]CC2)c1N ZINC001218659334 780179684 /nfs/dbraw/zinc/17/96/84/780179684.db2.gz FSUWWHHBORPZIM-UHFFFAOYSA-N 1 0 263.305 -1.099 20 30 CAEDRO N#Cc1c(N)nn(C(=O)C[C@@H]2COCC[NH2+]2)c1N ZINC001218659695 780179692 /nfs/dbraw/zinc/17/96/92/780179692.db2.gz JYKVKJYLWXGDJI-ZCFIWIBFSA-N 1 0 250.262 -1.062 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c1N ZINC001218659778 780179749 /nfs/dbraw/zinc/17/97/49/780179749.db2.gz LFAPFBXFSGDVKM-KSBSHMNSSA-N 1 0 261.289 -1.489 20 30 CAEDRO C[S@@](=O)CC[C@H]([NH3+])C(=O)n1nc(N)c(C#N)c1N ZINC001218661093 780179868 /nfs/dbraw/zinc/17/98/68/780179868.db2.gz UORTWPZFFWVCOM-AHGSNSTDSA-N 1 0 270.318 -1.345 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)c1N ZINC001218659779 780179932 /nfs/dbraw/zinc/17/99/32/780179932.db2.gz LFAPFBXFSGDVKM-UPONEAKYSA-N 1 0 261.289 -1.489 20 30 CAEDRO N#Cc1c(N)nn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c1N ZINC001218659906 780179954 /nfs/dbraw/zinc/17/99/54/780179954.db2.gz MIDPKDSOUAJBCB-ZETCQYMHSA-N 1 0 277.288 -2.110 20 30 CAEDRO Cn1cc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c(C#N)n1 ZINC001218667431 780179966 /nfs/dbraw/zinc/17/99/66/780179966.db2.gz GEWMEURTVWJMCO-JTQLQIEISA-N 1 0 276.300 -1.439 20 30 CAEDRO C#Cc1cnc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c(C#C)n1 ZINC001218657588 780180015 /nfs/dbraw/zinc/18/00/15/780180015.db2.gz ORUJZAFDDKVFGO-LBPRGKRZSA-N 1 0 297.318 -1.292 20 30 CAEDRO Cn1cncc1C[C@H]([NH3+])C(=O)n1nc(N)c(C#N)c1N ZINC001218659376 780180203 /nfs/dbraw/zinc/18/02/03/780180203.db2.gz HFAARSGXRYQWLR-QMMMGPOBSA-N 1 0 274.288 -1.137 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1c[nH]nc1C#N ZINC001218656476 780180443 /nfs/dbraw/zinc/18/04/43/780180443.db2.gz WBICYFIPBGCOMK-WDSKDSINSA-N 1 0 266.261 -1.956 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1nnccc1C#N ZINC001218701204 780181707 /nfs/dbraw/zinc/18/17/07/780181707.db2.gz SAJUZUVTMXCQNR-XPUUQOCRSA-N 1 0 278.272 -1.889 20 30 CAEDRO N#Cc1ccnnc1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218702239 780181783 /nfs/dbraw/zinc/18/17/83/780181783.db2.gz QAZJPWBUDQUEFT-SECBINFHSA-N 1 0 274.284 -1.383 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151271 780196660 /nfs/dbraw/zinc/19/66/60/780196660.db2.gz IKJDGQTXPDVMKO-JLLWLGSASA-N 1 0 267.329 -1.304 20 30 CAEDRO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001219216223 780201261 /nfs/dbraw/zinc/20/12/61/780201261.db2.gz DRVBFDROPZGBJP-AEJSXWLSSA-N 1 0 273.358 -1.215 20 30 CAEDRO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001219216226 780201621 /nfs/dbraw/zinc/20/16/21/780201621.db2.gz DRVBFDROPZGBJP-BBBLOLIVSA-N 1 0 273.358 -1.215 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219363856 780212473 /nfs/dbraw/zinc/21/24/73/780212473.db2.gz MOQJSFLIVQMOQS-MXWKQRLJSA-N 1 0 258.318 -1.269 20 30 CAEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001219363855 780212544 /nfs/dbraw/zinc/21/25/44/780212544.db2.gz MOQJSFLIVQMOQS-AXFHLTTASA-N 1 0 258.318 -1.269 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357908 780213212 /nfs/dbraw/zinc/21/32/12/780213212.db2.gz PDQMZIAXAVGGOJ-RDBSUJKOSA-N 1 0 295.383 -1.108 20 30 CAEDRO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413286 780219192 /nfs/dbraw/zinc/21/91/92/780219192.db2.gz OCKGSKFXLKQWSD-ZJUUUORDSA-N 1 0 255.318 -1.011 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001219487331 780222407 /nfs/dbraw/zinc/22/24/07/780222407.db2.gz LXTSPYQBSYSIRN-MNOVXSKESA-N 1 0 283.328 -2.066 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001219487550 780222448 /nfs/dbraw/zinc/22/24/48/780222448.db2.gz WSBPDOIJSUZUTL-UTUOFQBUSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001219492624 780223098 /nfs/dbraw/zinc/22/30/98/780223098.db2.gz SZUCQWQCFMEQJY-TUAOUCFPSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001219492625 780223139 /nfs/dbraw/zinc/22/31/39/780223139.db2.gz SZUCQWQCFMEQJY-UTUOFQBUSA-N 1 0 297.355 -1.678 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC)C[C@@H]1O ZINC001219492219 780223492 /nfs/dbraw/zinc/22/34/92/780223492.db2.gz BAECJANVDGYIAL-NEPJUHHUSA-N 1 0 297.355 -1.676 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219492289 780223637 /nfs/dbraw/zinc/22/36/37/780223637.db2.gz FMRUITMFYKFOBE-ZJUUUORDSA-N 1 0 269.301 -2.721 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CC(=O)NCC#C)[C@@H](O)C1 ZINC001219487159 780223733 /nfs/dbraw/zinc/22/37/33/780223733.db2.gz FWXMZNGITCIICJ-NEPJUHHUSA-N 1 0 277.324 -1.690 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521838 780227529 /nfs/dbraw/zinc/22/75/29/780227529.db2.gz YTPAHATZZFBQKD-AEJSXWLSSA-N 1 0 270.333 -1.219 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219535923 780229003 /nfs/dbraw/zinc/22/90/03/780229003.db2.gz ICRLTDRBSMWFEK-MDZLAQPJSA-N 1 0 272.345 -1.143 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219570985 780233707 /nfs/dbraw/zinc/23/37/07/780233707.db2.gz FDQRSDQQTDSDEA-MNOVXSKESA-N 1 0 282.344 -1.510 20 30 CAEDRO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591520 780235217 /nfs/dbraw/zinc/23/52/17/780235217.db2.gz IOLLATOGYHMYKR-UPJWGTAASA-N 1 0 282.340 -1.432 20 30 CAEDRO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591402 780235474 /nfs/dbraw/zinc/23/54/74/780235474.db2.gz BVHDZWQRNJRUAB-JLLWLGSASA-N 1 0 252.314 -1.058 20 30 CAEDRO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 ZINC001219591403 780235588 /nfs/dbraw/zinc/23/55/88/780235588.db2.gz BVHDZWQRNJRUAB-WCQGTBRESA-N 1 0 252.314 -1.058 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219607541 780236271 /nfs/dbraw/zinc/23/62/71/780236271.db2.gz RIFJBVNCNZILBN-TUAOUCFPSA-N 1 0 270.329 -1.432 20 30 CAEDRO N#CC1(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CCC1 ZINC001219606141 780236427 /nfs/dbraw/zinc/23/64/27/780236427.db2.gz GDNVRHIODUSJIW-VIFPVBQESA-N 1 0 250.302 -1.121 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001219599612 780236833 /nfs/dbraw/zinc/23/68/33/780236833.db2.gz QZDBVGWEISQMJC-NEPJUHHUSA-N 1 0 270.329 -1.166 20 30 CAEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219599292 780237052 /nfs/dbraw/zinc/23/70/52/780237052.db2.gz NSTZNZQEJBIKHQ-NEPJUHHUSA-N 1 0 270.329 -1.430 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219625353 780242807 /nfs/dbraw/zinc/24/28/07/780242807.db2.gz LFPRGBRJZFGJML-UPJWGTAASA-N 1 0 282.340 -1.024 20 30 CAEDRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1(C#N)CCC1 ZINC001219632032 780242835 /nfs/dbraw/zinc/24/28/35/780242835.db2.gz FJPVQWWOOREJAL-IUCAKERBSA-N 1 0 295.343 -1.496 20 30 CAEDRO C#CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219634114 780242915 /nfs/dbraw/zinc/24/29/15/780242915.db2.gz OJLVAULNKOGQHP-IUCAKERBSA-N 1 0 268.317 -1.777 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219626265 780243484 /nfs/dbraw/zinc/24/34/84/780243484.db2.gz HHWLSWIRSXZLGE-MXWKQRLJSA-N 1 0 282.344 -1.382 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219626264 780243679 /nfs/dbraw/zinc/24/36/79/780243679.db2.gz HHWLSWIRSXZLGE-AXFHLTTASA-N 1 0 282.344 -1.382 20 30 CAEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1 ZINC001219625354 780243733 /nfs/dbraw/zinc/24/37/33/780243733.db2.gz LFPRGBRJZFGJML-XQQFMLRXSA-N 1 0 282.340 -1.024 20 30 CAEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637480 780244129 /nfs/dbraw/zinc/24/41/29/780244129.db2.gz FMSFIHSTGKZKFS-MNOVXSKESA-N 1 0 280.332 -1.199 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675388 780246536 /nfs/dbraw/zinc/24/65/36/780246536.db2.gz ZVQAWQJOMJSVMB-TUAOUCFPSA-N 1 0 299.371 -1.125 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219674842 780246789 /nfs/dbraw/zinc/24/67/89/780246789.db2.gz DHEFCZPLGAPSIF-UTUOFQBUSA-N 1 0 299.371 -1.125 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678627 780247056 /nfs/dbraw/zinc/24/70/56/780247056.db2.gz XGQXUGNSSQEBEB-NSHDSACASA-N 1 0 288.373 -2.312 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)C1(N)CC[NH2+]CC1 ZINC001220035806 780296081 /nfs/dbraw/zinc/29/60/81/780296081.db2.gz GUMBTBGBGAFWJA-ZETCQYMHSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219741012 780255783 /nfs/dbraw/zinc/25/57/83/780255783.db2.gz WCVHZKVOOBWSDB-NEPJUHHUSA-N 1 0 297.355 -1.724 20 30 CAEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219751887 780258951 /nfs/dbraw/zinc/25/89/51/780258951.db2.gz HBLDSGLOVRXCGT-ZJUUUORDSA-N 1 0 270.333 -1.347 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219847115 780267891 /nfs/dbraw/zinc/26/78/91/780267891.db2.gz VKUGAHDBRZNZMG-MNOVXSKESA-N 1 0 299.371 -1.138 20 30 CAEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@@H](O)CO ZINC001219865467 780271708 /nfs/dbraw/zinc/27/17/08/780271708.db2.gz OYPOHBDDUIHNTD-NEPJUHHUSA-N 1 0 263.297 -1.103 20 30 CAEDRO C#CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219880081 780272011 /nfs/dbraw/zinc/27/20/11/780272011.db2.gz STBCMECWOFIPJL-UHFFFAOYSA-N 1 0 283.288 -3.957 20 30 CAEDRO CC(=O)/C=C(/C)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219910281 780276451 /nfs/dbraw/zinc/27/64/51/780276451.db2.gz WHXZGMSXNIOHEB-VURMDHGXSA-N 1 0 277.346 -1.184 20 30 CAEDRO CC(=O)/C=C(/C)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219910029 780277698 /nfs/dbraw/zinc/27/76/98/780277698.db2.gz LHFVRSMOLRBVQI-WPKZPIIRSA-N 1 0 253.302 -1.074 20 30 CAEDRO N#CN=C(NC(=O)[C@@H]1C[NH2+]CCN1)c1ccncc1 ZINC001219972061 780286379 /nfs/dbraw/zinc/28/63/79/780286379.db2.gz INYBOZOKDZHMTI-JTQLQIEISA-N 1 0 258.285 -1.013 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220036881 780295680 /nfs/dbraw/zinc/29/56/80/780295680.db2.gz YWXSQCQHDAGKCJ-ACZMJKKPSA-N 1 0 293.345 -2.602 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)CN1CC[NH2+]CC1 ZINC001220036740 780295731 /nfs/dbraw/zinc/29/57/31/780295731.db2.gz UQGYCANXEPDXBL-QMMMGPOBSA-N 1 0 261.347 -1.521 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220035881 780296139 /nfs/dbraw/zinc/29/61/39/780296139.db2.gz HJZVBAVQRHQWGP-YUMQZZPRSA-N 1 0 289.357 -2.096 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220043139 780296398 /nfs/dbraw/zinc/29/63/98/780296398.db2.gz GQWGSYGDLAKSIN-UWVGGRQHSA-N 1 0 254.334 -1.268 20 30 CAEDRO COC(=O)[C@H](CS)NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220036885 780296658 /nfs/dbraw/zinc/29/66/58/780296658.db2.gz ZAGWUGQZIVKCHC-SFYZADRCSA-N 1 0 272.330 -1.133 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220043323 780297157 /nfs/dbraw/zinc/29/71/57/780297157.db2.gz NTWUDOCJZHAGDO-VHSXEESVSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220043321 780297294 /nfs/dbraw/zinc/29/72/94/780297294.db2.gz NTWUDOCJZHAGDO-NXEZZACHSA-N 1 0 255.318 -1.235 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220043237 780297306 /nfs/dbraw/zinc/29/73/06/780297306.db2.gz KKBFNEVWUGIOMB-LLVKDONJSA-N 1 0 296.371 -1.485 20 30 CAEDRO C=C(C)C(=O)NCCCNC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220043413 780298128 /nfs/dbraw/zinc/29/81/28/780298128.db2.gz QLGCVCOKLMHBMS-GFCCVEGCSA-N 1 0 254.334 -1.124 20 30 CAEDRO C=C(C)C(=O)OCCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220125091 780307283 /nfs/dbraw/zinc/30/72/83/780307283.db2.gz XWYWVYIOQXZECA-IUCAKERBSA-N 1 0 287.316 -1.954 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001220131941 780308050 /nfs/dbraw/zinc/30/80/50/780308050.db2.gz BBXVPXANOZYMHA-TUAOUCFPSA-N 1 0 297.355 -1.514 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220137916 780309725 /nfs/dbraw/zinc/30/97/25/780309725.db2.gz LUHQEXKWLRXYRC-TUAOUCFPSA-N 1 0 299.371 -1.138 20 30 CAEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220165967 780313846 /nfs/dbraw/zinc/31/38/46/780313846.db2.gz ORNUOOGSDHTSPG-ZJUUUORDSA-N 1 0 280.332 -1.049 20 30 CAEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237305 780322926 /nfs/dbraw/zinc/32/29/26/780322926.db2.gz SPKVWMOVTLYENJ-MXWKQRLJSA-N 1 0 282.344 -1.205 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236701 780323054 /nfs/dbraw/zinc/32/30/54/780323054.db2.gz FARCKUZGRDEGFM-MXWKQRLJSA-N 1 0 298.343 -1.968 20 30 CAEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236700 780323373 /nfs/dbraw/zinc/32/33/73/780323373.db2.gz FARCKUZGRDEGFM-AXFHLTTASA-N 1 0 298.343 -1.968 20 30 CAEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237304 780323575 /nfs/dbraw/zinc/32/35/75/780323575.db2.gz SPKVWMOVTLYENJ-AXFHLTTASA-N 1 0 282.344 -1.205 20 30 CAEDRO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220243915 780325299 /nfs/dbraw/zinc/32/52/99/780325299.db2.gz VEDIUXSCRLNWSB-BBBLOLIVSA-N 1 0 255.318 -1.012 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220246599 780327293 /nfs/dbraw/zinc/32/72/93/780327293.db2.gz YZEQBAVJFPVYRM-ZJUUUORDSA-N 1 0 267.329 -1.011 20 30 CAEDRO C#CCNC(=O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271875 780328717 /nfs/dbraw/zinc/32/87/17/780328717.db2.gz KJLREQXIKAMOOW-NEPJUHHUSA-N 1 0 296.371 -2.151 20 30 CAEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374175 780341732 /nfs/dbraw/zinc/34/17/32/780341732.db2.gz VURIUXLDNCOYCM-OLZOCXBDSA-N 1 0 291.355 -1.068 20 30 CAEDRO C=C[C@@H](CO)NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220393489 780345497 /nfs/dbraw/zinc/34/54/97/780345497.db2.gz ZQESPBDPYSISGF-GUBZILKMSA-N 1 0 285.344 -1.040 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220415483 780346568 /nfs/dbraw/zinc/34/65/68/780346568.db2.gz MCUMGMZYNOBNIN-SFYZADRCSA-N 1 0 279.256 -1.112 20 30 CAEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H](N)C[NH3+] ZINC001220415834 780346623 /nfs/dbraw/zinc/34/66/23/780346623.db2.gz ZBHMBGDSHBABTK-LURJTMIESA-N 1 0 252.234 -1.406 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC(C)(C)S ZINC001220486986 780352775 /nfs/dbraw/zinc/35/27/75/780352775.db2.gz IURQSXLMYWDPTK-BQBZGAKWSA-N 1 0 263.363 -1.365 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001220498853 780352930 /nfs/dbraw/zinc/35/29/30/780352930.db2.gz MAQZFAUVIVVONO-YUMQZZPRSA-N 1 0 257.246 -1.552 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220499147 780354125 /nfs/dbraw/zinc/35/41/25/780354125.db2.gz SOARYPRTCBHWEU-BDAKNGLRSA-N 1 0 282.300 -1.492 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220499396 780354278 /nfs/dbraw/zinc/35/42/78/780354278.db2.gz XTQDMCQWRNDUOZ-XBWDGYHZSA-N 1 0 266.301 -1.220 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)CN1CC[NH2+]CC1 ZINC001220498900 780354488 /nfs/dbraw/zinc/35/44/88/780354488.db2.gz ODMOOXHINAKWJS-SECBINFHSA-N 1 0 254.290 -1.537 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220499096 780354530 /nfs/dbraw/zinc/35/45/30/780354530.db2.gz RFEORYWPGURIOO-QQJLPTOTSA-N 1 0 275.330 -1.346 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)CNC1CC[NH2+]CC1 ZINC001220499121 780354557 /nfs/dbraw/zinc/35/45/57/780354557.db2.gz RWUPTEBHUFAXGX-SNVBAGLBSA-N 1 0 268.317 -1.101 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220498742 780354576 /nfs/dbraw/zinc/35/45/76/780354576.db2.gz KXJKMIUXUJZRAD-HTQZYQBOSA-N 1 0 285.304 -1.666 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220498167 780354627 /nfs/dbraw/zinc/35/46/27/780354627.db2.gz COSHLXHEYLAZRK-VHSXEESVSA-N 1 0 279.300 -1.139 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220499124 780355069 /nfs/dbraw/zinc/35/50/69/780355069.db2.gz RZYAFOWYINCPDF-AATLWQCWSA-N 1 0 266.301 -1.492 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220499104 780355414 /nfs/dbraw/zinc/35/54/14/780355414.db2.gz RMBJPBOQTYWBND-FXQIFTODSA-N 1 0 286.288 -2.618 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)CNC1CC[NH2+]CC1 ZINC001220499120 780355667 /nfs/dbraw/zinc/35/56/67/780355667.db2.gz RWUPTEBHUFAXGX-JTQLQIEISA-N 1 0 268.317 -1.101 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)C[C@H]1COCC[NH2+]1 ZINC001220499155 780355683 /nfs/dbraw/zinc/35/56/83/780355683.db2.gz SZRLPCWOKPZACY-DTWKUNHWSA-N 1 0 255.274 -1.064 20 30 CAEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220498166 780355748 /nfs/dbraw/zinc/35/57/48/780355748.db2.gz COSHLXHEYLAZRK-UWVGGRQHSA-N 1 0 279.300 -1.139 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508342 780356464 /nfs/dbraw/zinc/35/64/64/780356464.db2.gz IDBMNODOXBNDEV-NEPJUHHUSA-N 1 0 299.371 -1.171 20 30 CAEDRO N#C[C@@H](NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)C(N)=O ZINC001220527772 780360457 /nfs/dbraw/zinc/36/04/57/780360457.db2.gz ONGOSFNSTOSKFG-RNFRBKRXSA-N 1 0 253.262 -3.190 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]([NH3+])C1CCC(O)CC1)C(N)=O ZINC001220527780 780360551 /nfs/dbraw/zinc/36/05/51/780360551.db2.gz ORRLLJSBXIYCMP-PEBLOWIWSA-N 1 0 254.290 -1.642 20 30 CAEDRO N#C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)C(N)=O ZINC001220527229 780360827 /nfs/dbraw/zinc/36/08/27/780360827.db2.gz GRWGNCSVFTVVGC-UYXSQOIJSA-N 1 0 252.274 -1.753 20 30 CAEDRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220527432 780360756 /nfs/dbraw/zinc/36/07/56/780360756.db2.gz JCAYQFSIEDKUPY-YUMQZZPRSA-N 1 0 269.305 -2.030 20 30 CAEDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C#N)C(N)=O ZINC001220527191 780360917 /nfs/dbraw/zinc/36/09/17/780360917.db2.gz GCEBXRPEEALKJR-CIUDSAMLSA-N 1 0 283.332 -1.642 20 30 CAEDRO N#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(N)=O ZINC001220527883 780361073 /nfs/dbraw/zinc/36/10/73/780361073.db2.gz RQKPKSZDYJYTKF-RQJHMYQMSA-N 1 0 253.262 -2.570 20 30 CAEDRO N#C[C@H](NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)C(N)=O ZINC001220527230 780361213 /nfs/dbraw/zinc/36/12/13/780361213.db2.gz GRWGNCSVFTVVGC-XSPKLOCKSA-N 1 0 252.274 -1.753 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C#N)C(N)=O ZINC001220526895 780361331 /nfs/dbraw/zinc/36/13/31/780361331.db2.gz AHSOBIBFLISOAZ-HCWXCVPCSA-N 1 0 257.250 -3.696 20 30 CAEDRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220527947 780361433 /nfs/dbraw/zinc/36/14/33/780361433.db2.gz UJIIOPNQIGVLMG-SFYZADRCSA-N 1 0 284.316 -1.071 20 30 CAEDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C#N)C(N)=O ZINC001220527192 780361905 /nfs/dbraw/zinc/36/19/05/780361905.db2.gz GCEBXRPEEALKJR-XHNCKOQMSA-N 1 0 283.332 -1.642 20 30 CAEDRO N#C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1)C(N)=O ZINC001220526903 780361965 /nfs/dbraw/zinc/36/19/65/780361965.db2.gz ALSCMDLPEVCSQT-VHSXEESVSA-N 1 0 262.269 -1.244 20 30 CAEDRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H](C#N)C(N)=O)COC1(C)C ZINC001220528060 780362117 /nfs/dbraw/zinc/36/21/17/780362117.db2.gz XUUIDOCQKIIKQR-RNJXMRFFSA-N 1 0 297.315 -2.209 20 30 CAEDRO NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]C[C@@H]2O)cc1 ZINC001220643343 780371088 /nfs/dbraw/zinc/37/10/88/780371088.db2.gz BHAYCTGBESQNFA-UWVGGRQHSA-N 1 0 276.296 -1.402 20 30 CAEDRO NC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]C[C@H]2O)cc1 ZINC001220643344 780371670 /nfs/dbraw/zinc/37/16/70/780371670.db2.gz BHAYCTGBESQNFA-VHSXEESVSA-N 1 0 276.296 -1.402 20 30 CAEDRO N=C(NC(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(C(N)=O)cc1 ZINC001220643331 780371703 /nfs/dbraw/zinc/37/17/03/780371703.db2.gz ARJSUZUTFZSHCX-ZJUUUORDSA-N 1 0 276.296 -1.260 20 30 CAEDRO NC(=O)c1ccc(C(N)=NC(=O)[C@]2(N)CC[NH2+]C2)cc1 ZINC001220643423 780372220 /nfs/dbraw/zinc/37/22/20/780372220.db2.gz DQYYDQNREGDXDD-ZDUSSCGKSA-N 1 0 275.312 -1.292 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756999 780378908 /nfs/dbraw/zinc/37/89/08/780378908.db2.gz PVOWYMNEQONPPN-LBPRGKRZSA-N 1 0 287.385 -1.426 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N[C@H](Cc1cncn1C)C(=O)OC ZINC001220772945 780381124 /nfs/dbraw/zinc/38/11/24/780381124.db2.gz WIIWLZPJAHFWQM-MFKMUULPSA-N 1 0 278.312 -1.029 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N[C@@H](Cc1cncn1C)C(=O)OC ZINC001220772944 780381264 /nfs/dbraw/zinc/38/12/64/780381264.db2.gz WIIWLZPJAHFWQM-GWCFXTLKSA-N 1 0 278.312 -1.029 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@@H](O)C1 ZINC001220824330 780383293 /nfs/dbraw/zinc/38/32/93/780383293.db2.gz VGPSOFLXVPUIRD-MNOVXSKESA-N 1 0 279.340 -1.303 20 30 CAEDRO N#Cc1cnc(CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)s1 ZINC001220872540 780390355 /nfs/dbraw/zinc/39/03/55/780390355.db2.gz XZYWGDFAHJTGNL-SECBINFHSA-N 1 0 293.352 -1.039 20 30 CAEDRO CC[C@H](CC#N)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220898243 780395036 /nfs/dbraw/zinc/39/50/36/780395036.db2.gz CMWXJTKKDLKMFM-YIZRAAEISA-N 1 0 256.306 -1.381 20 30 CAEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935772 780396414 /nfs/dbraw/zinc/39/64/14/780396414.db2.gz VBJMRVZRHSNFAV-ZJUUUORDSA-N 1 0 270.333 -1.218 20 30 CAEDRO N#CC1(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCOCC1 ZINC001220966950 780400158 /nfs/dbraw/zinc/40/01/58/780400158.db2.gz LYKASYQJCGHCKM-SNVBAGLBSA-N 1 0 280.328 -1.494 20 30 CAEDRO COCC#CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975896 780400817 /nfs/dbraw/zinc/40/08/17/780400817.db2.gz ACCDAZNKLMIIAT-MCIONIFRSA-N 1 0 295.383 -1.251 20 30 CAEDRO C#CCN1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986088 780400959 /nfs/dbraw/zinc/40/09/59/780400959.db2.gz RQEBELODDKZGNE-MCIONIFRSA-N 1 0 295.383 -1.251 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221338055 780415928 /nfs/dbraw/zinc/41/59/28/780415928.db2.gz WQKOUFCXKHKVHO-JTQLQIEISA-N 1 0 259.331 -1.511 20 30 CAEDRO C=CC[C@@](C)(NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)C(=O)OC ZINC001221381612 780419094 /nfs/dbraw/zinc/41/90/94/780419094.db2.gz GANMJODHEPYYHD-ZWNOBZJWSA-N 1 0 297.355 -1.059 20 30 CAEDRO C#CCCC1(CCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)N=N1 ZINC001221408183 780420648 /nfs/dbraw/zinc/42/06/48/780420648.db2.gz HLWJAPLESKAGID-UWVGGRQHSA-N 1 0 295.343 -1.108 20 30 CAEDRO C=CCNC(=O)C[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224292608 780432219 /nfs/dbraw/zinc/43/22/19/780432219.db2.gz FULPTABTXRWTNN-UHFFFAOYSA-N 1 0 282.344 -1.398 20 30 CAEDRO C#CCNC(=O)C[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224292180 780432369 /nfs/dbraw/zinc/43/23/69/780432369.db2.gz AKHLVTFEIGVJBE-UHFFFAOYSA-N 1 0 280.328 -1.951 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224311658 780433382 /nfs/dbraw/zinc/43/33/82/780433382.db2.gz FYPPOFXOLQVGPL-JTQLQIEISA-N 1 0 294.355 -1.562 20 30 CAEDRO COCC#CC[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224294818 780433651 /nfs/dbraw/zinc/43/36/51/780433651.db2.gz SNADIZOAFGAPEI-UHFFFAOYSA-N 1 0 267.329 -1.050 20 30 CAEDRO C#CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276969606 780433782 /nfs/dbraw/zinc/43/37/82/780433782.db2.gz GQPMEVOPIISSBW-QWHCGFSZSA-N 1 0 292.383 -1.122 20 30 CAEDRO C#CCOCCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001276977669 780433836 /nfs/dbraw/zinc/43/38/36/780433836.db2.gz WBVIKKXYXUPOAL-XYPYZODXSA-N 1 0 267.329 -1.004 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CNC(C)=O)CC1 ZINC001276991349 780434784 /nfs/dbraw/zinc/43/47/84/780434784.db2.gz CGWMNGMXTRBHRF-JTQLQIEISA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001276995715 780434955 /nfs/dbraw/zinc/43/49/55/780434955.db2.gz NEYJPJNMXUGMOL-HAQNSBGRSA-N 1 0 279.340 -1.037 20 30 CAEDRO CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001276997680 780435443 /nfs/dbraw/zinc/43/54/43/780435443.db2.gz QJDJWEJYTFGOLU-VIFPVBQESA-N 1 0 295.343 -1.611 20 30 CAEDRO C#CC[NH+]1CCC(CNC(=O)CS(=O)(=O)NC)CC1 ZINC001225465779 780437438 /nfs/dbraw/zinc/43/74/38/780437438.db2.gz ZZRPVGRKWUEDSM-UHFFFAOYSA-N 1 0 287.385 -1.003 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001277065927 780437592 /nfs/dbraw/zinc/43/75/92/780437592.db2.gz JWOLGSFBUMRMBI-UHFFFAOYSA-N 1 0 256.327 -1.097 20 30 CAEDRO C#CC[NH+]1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001225348444 780437805 /nfs/dbraw/zinc/43/78/05/780437805.db2.gz AZNFEOJKVHOCPQ-UHFFFAOYSA-N 1 0 292.339 -1.000 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001277062314 780437951 /nfs/dbraw/zinc/43/79/51/780437951.db2.gz DNIBQINSRZQLCD-KYZUINATSA-N 1 0 292.299 -1.193 20 30 CAEDRO C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001225779011 780439567 /nfs/dbraw/zinc/43/95/67/780439567.db2.gz GFIRSSFGYZNSQJ-GHMZBOCLSA-N 1 0 294.355 -1.372 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001277093878 780442295 /nfs/dbraw/zinc/44/22/95/780442295.db2.gz DDVFTVLQGYYGOK-UHFFFAOYSA-N 1 0 280.328 -1.890 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001277125951 780442444 /nfs/dbraw/zinc/44/24/44/780442444.db2.gz YUVJBROWBNKION-VIFPVBQESA-N 1 0 299.352 -2.229 20 30 CAEDRO C[C@@H](CC(N)=O)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001277132937 780442468 /nfs/dbraw/zinc/44/24/68/780442468.db2.gz MDDQQOJBUGYISP-VIFPVBQESA-N 1 0 295.343 -1.624 20 30 CAEDRO C#CCNC(=O)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001226994028 780446773 /nfs/dbraw/zinc/44/67/73/780446773.db2.gz PEIIJPXNRLQFJA-UHFFFAOYSA-N 1 0 267.329 -1.301 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)Cc2ncc[nH]2)CC1 ZINC001277208792 780447560 /nfs/dbraw/zinc/44/75/60/780447560.db2.gz IEAVZAIBWMPDAT-UHFFFAOYSA-N 1 0 290.327 -1.170 20 30 CAEDRO C=CCOCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001281389401 780447736 /nfs/dbraw/zinc/44/77/36/780447736.db2.gz WFICBPZAQIAXDD-ZJUUUORDSA-N 1 0 298.343 -1.180 20 30 CAEDRO COCC#CC[NH2+]C1(CNC(=O)CCNC(N)=O)CC1 ZINC001277245400 780449409 /nfs/dbraw/zinc/44/94/09/780449409.db2.gz CVUAWYCNYFTWDV-UHFFFAOYSA-N 1 0 282.344 -1.067 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228296406 780451080 /nfs/dbraw/zinc/45/10/80/780451080.db2.gz TUXZUIJHDISBLZ-HBNTYKKESA-N 1 0 294.355 -1.373 20 30 CAEDRO COCC#CC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228904368 780452971 /nfs/dbraw/zinc/45/29/71/780452971.db2.gz BCSWCECNQVHBGF-UHFFFAOYSA-N 1 0 253.302 -1.298 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)NCCCCS(N)(=O)=O ZINC001229170092 780453545 /nfs/dbraw/zinc/45/35/45/780453545.db2.gz SHIUYUJUELWMCM-UHFFFAOYSA-N 1 0 290.389 -1.081 20 30 CAEDRO C#CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001229493736 780454221 /nfs/dbraw/zinc/45/42/21/780454221.db2.gz NDLNMMJOGHNUHR-LBPRGKRZSA-N 1 0 294.355 -1.420 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001278041558 780499941 /nfs/dbraw/zinc/49/99/41/780499941.db2.gz PLOKTHJVHIJKQR-KOLCDFICSA-N 1 0 255.318 -1.399 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CCCNC(=O)CNC(C)=O ZINC001231258266 780464468 /nfs/dbraw/zinc/46/44/68/780464468.db2.gz DNLVROWQEDPZLH-UHFFFAOYSA-N 1 0 284.360 -1.137 20 30 CAEDRO CC(=O)NCC(=O)NCCC[N@@H+](C)CC(=O)NCC#N ZINC001231259235 780464697 /nfs/dbraw/zinc/46/46/97/780464697.db2.gz VWZNBYFPVZQEKH-UHFFFAOYSA-N 1 0 283.332 -1.800 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)CNC(C)=O ZINC001231285850 780466074 /nfs/dbraw/zinc/46/60/74/780466074.db2.gz WUMBIKCBXAKGFT-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C#CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231770591 780469573 /nfs/dbraw/zinc/46/95/73/780469573.db2.gz OFGLZKITKVWJHI-UHFFFAOYSA-N 1 0 276.340 -1.165 20 30 CAEDRO C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001277603932 780469919 /nfs/dbraw/zinc/46/99/19/780469919.db2.gz MMEUPNCSBZYFBY-NSHDSACASA-N 1 0 282.344 -1.244 20 30 CAEDRO COCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001277785391 780472238 /nfs/dbraw/zinc/47/22/38/780472238.db2.gz IWQVCHHYYPXZFL-SNVBAGLBSA-N 1 0 268.317 -1.147 20 30 CAEDRO C[N@H+](CCCNC(=O)C1=COCCO1)CC(=O)NCC#N ZINC001233553810 780472268 /nfs/dbraw/zinc/47/22/68/780472268.db2.gz YOSUBTDKVFRLHX-UHFFFAOYSA-N 1 0 296.327 -1.048 20 30 CAEDRO CC(=O)N[C@H](C)C(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001233620019 780473164 /nfs/dbraw/zinc/47/31/64/780473164.db2.gz DYOLHFDGFQVWPV-SNVBAGLBSA-N 1 0 297.359 -1.411 20 30 CAEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233722488 780474970 /nfs/dbraw/zinc/47/49/70/780474970.db2.gz NZVSZEDTSNGYRV-JTQLQIEISA-N 1 0 299.375 -1.217 20 30 CAEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233749695 780475220 /nfs/dbraw/zinc/47/52/20/780475220.db2.gz DRMNBQANXQPENF-UHFFFAOYSA-N 1 0 293.331 -2.139 20 30 CAEDRO C=CCNC(=O)C[N@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233775237 780475315 /nfs/dbraw/zinc/47/53/15/780475315.db2.gz SKZDLDDHNQJWLH-UHFFFAOYSA-N 1 0 295.347 -1.587 20 30 CAEDRO C[N@H+](CCCNC(=O)Cn1cccn1)CC(=O)NCC#N ZINC001233941490 780478017 /nfs/dbraw/zinc/47/80/17/780478017.db2.gz RZWJXKNMKUUXDT-UHFFFAOYSA-N 1 0 292.343 -1.039 20 30 CAEDRO C[C@H](CN(C)C(=O)Cn1ncnn1)[NH2+]CC(=O)NCC#N ZINC001277819899 780478375 /nfs/dbraw/zinc/47/83/75/780478375.db2.gz RVDGVKDHZHKUJK-SECBINFHSA-N 1 0 294.319 -2.251 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)CN(C)C(C)=O ZINC001234172101 780479716 /nfs/dbraw/zinc/47/97/16/780479716.db2.gz DWYHJEMELXZFMK-UHFFFAOYSA-N 1 0 296.371 -1.348 20 30 CAEDRO C[N@H+](CCCNC(=O)[C@@H]1COCCO1)CC(=O)NCC#N ZINC001234225666 780480421 /nfs/dbraw/zinc/48/04/21/780480421.db2.gz RPGCKCBEBNYEGH-NSHDSACASA-N 1 0 298.343 -1.520 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CN1CCOCC1=O ZINC001277845855 780481472 /nfs/dbraw/zinc/48/14/72/780481472.db2.gz NTSJZRAJOJQAPY-LLVKDONJSA-N 1 0 267.329 -1.085 20 30 CAEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001277863050 780485251 /nfs/dbraw/zinc/48/52/51/780485251.db2.gz MXLUSQCBVAXGJW-NSHDSACASA-N 1 0 296.371 -1.302 20 30 CAEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001277863151 780485745 /nfs/dbraw/zinc/48/57/45/780485745.db2.gz NQGWCVZZDSZXSN-JTQLQIEISA-N 1 0 284.360 -1.139 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001277891831 780487858 /nfs/dbraw/zinc/48/78/58/780487858.db2.gz BWPMXWQDXDMJDN-SECBINFHSA-N 1 0 291.315 -1.361 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001277920579 780488398 /nfs/dbraw/zinc/48/83/98/780488398.db2.gz AEYBJYDZTNIDAQ-NXEZZACHSA-N 1 0 297.359 -1.594 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C(N)=O ZINC001277923052 780490071 /nfs/dbraw/zinc/49/00/71/780490071.db2.gz UOSJXWIZHPBSCN-MRVPVSSYSA-N 1 0 254.290 -2.342 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001277932040 780490082 /nfs/dbraw/zinc/49/00/82/780490082.db2.gz CASVVJDYZCDRMU-SNVBAGLBSA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(N)=O ZINC001277923053 780490678 /nfs/dbraw/zinc/49/06/78/780490678.db2.gz UOSJXWIZHPBSCN-QMMMGPOBSA-N 1 0 254.290 -2.342 20 30 CAEDRO C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001277922660 780490877 /nfs/dbraw/zinc/49/08/77/780490877.db2.gz PAMMFRDODVMZKO-DTWKUNHWSA-N 1 0 296.331 -2.256 20 30 CAEDRO C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001277922662 780490966 /nfs/dbraw/zinc/49/09/66/780490966.db2.gz PAMMFRDODVMZKO-RKDXNWHRSA-N 1 0 296.331 -2.256 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001277954778 780491797 /nfs/dbraw/zinc/49/17/97/780491797.db2.gz SYWJQLHSXDYRJT-KOLCDFICSA-N 1 0 282.344 -1.564 20 30 CAEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001277954779 780491989 /nfs/dbraw/zinc/49/19/89/780491989.db2.gz SYWJQLHSXDYRJT-ONGXEEELSA-N 1 0 282.344 -1.564 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cnon1 ZINC001277968651 780493708 /nfs/dbraw/zinc/49/37/08/780493708.db2.gz KHSZGVXUITXPKF-SECBINFHSA-N 1 0 279.300 -1.131 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001277962693 780494094 /nfs/dbraw/zinc/49/40/94/780494094.db2.gz LNVSYTDQHGXGJF-SNVBAGLBSA-N 1 0 292.343 -1.385 20 30 CAEDRO C[N@H+](CCCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NCC#N ZINC001235730905 780494223 /nfs/dbraw/zinc/49/42/23/780494223.db2.gz VWMPCLXWXGJKBP-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001277962692 780494471 /nfs/dbraw/zinc/49/44/71/780494471.db2.gz LNVSYTDQHGXGJF-JTQLQIEISA-N 1 0 292.343 -1.385 20 30 CAEDRO C#CC[N@@H+](C)CCCN(C)C(=O)CS(=O)(=O)NC ZINC001280883228 780498039 /nfs/dbraw/zinc/49/80/39/780498039.db2.gz HJXHFPSJTZWESA-UHFFFAOYSA-N 1 0 275.374 -1.051 20 30 CAEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001278001566 780498171 /nfs/dbraw/zinc/49/81/71/780498171.db2.gz BCTHECTWEQDMND-SNVBAGLBSA-N 1 0 279.344 -1.040 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC1 ZINC001278036176 780499987 /nfs/dbraw/zinc/49/99/87/780499987.db2.gz YMVFGWCTOKQSGA-SECBINFHSA-N 1 0 254.290 -1.897 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001278047540 780500040 /nfs/dbraw/zinc/50/00/40/780500040.db2.gz FJOPWCYLPYXACD-NEPJUHHUSA-N 1 0 297.355 -1.628 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CN1CCCC1=O ZINC001278047863 780500207 /nfs/dbraw/zinc/50/02/07/780500207.db2.gz IXKKPOQBRPKZAY-SNVBAGLBSA-N 1 0 255.318 -1.139 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001278041561 780500229 /nfs/dbraw/zinc/50/02/29/780500229.db2.gz PLOKTHJVHIJKQR-ONGXEEELSA-N 1 0 255.318 -1.399 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001278041554 780500250 /nfs/dbraw/zinc/50/02/50/780500250.db2.gz PLOKTHJVHIJKQR-GXSJLCMTSA-N 1 0 255.318 -1.399 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnccn1 ZINC001278040687 780500357 /nfs/dbraw/zinc/50/03/57/780500357.db2.gz CGIPVVXVBPVZRD-SNVBAGLBSA-N 1 0 293.327 -1.541 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCO1 ZINC001278047543 780500662 /nfs/dbraw/zinc/50/06/62/780500662.db2.gz FJOPWCYLPYXACD-VXGBXAGGSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCO1 ZINC001278047542 780500827 /nfs/dbraw/zinc/50/08/27/780500827.db2.gz FJOPWCYLPYXACD-RYUDHWBXSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001278041560 780500899 /nfs/dbraw/zinc/50/08/99/780500899.db2.gz PLOKTHJVHIJKQR-MWLCHTKSSA-N 1 0 255.318 -1.399 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC(N)=O ZINC001278053005 780501379 /nfs/dbraw/zinc/50/13/79/780501379.db2.gz APHHZZZHECHGGZ-RKDXNWHRSA-N 1 0 284.316 -2.934 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001278053099 780501461 /nfs/dbraw/zinc/50/14/61/780501461.db2.gz BINSJASDKNFOCY-MNOVXSKESA-N 1 0 285.344 -1.608 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cocn1 ZINC001278053233 780501493 /nfs/dbraw/zinc/50/14/93/780501493.db2.gz DMPCFWXUDAQPGH-NXEZZACHSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCn1cncn1 ZINC001278048192 780502027 /nfs/dbraw/zinc/50/20/27/780502027.db2.gz MOHWOPWAUISZTI-JTQLQIEISA-N 1 0 251.290 -1.632 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cn1cc(C)cn1 ZINC001278048468 780501790 /nfs/dbraw/zinc/50/17/90/780501790.db2.gz PXKFIAALDYDGEP-LLVKDONJSA-N 1 0 250.302 -1.109 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CC(N)=O ZINC001278054542 780501812 /nfs/dbraw/zinc/50/18/12/780501812.db2.gz SSYLPOSVIGDNGW-VIFPVBQESA-N 1 0 257.290 -2.422 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CC(N)=O ZINC001278053001 780501935 /nfs/dbraw/zinc/50/19/35/780501935.db2.gz APHHZZZHECHGGZ-DTWKUNHWSA-N 1 0 284.316 -2.934 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1cccn1 ZINC001278048474 780502058 /nfs/dbraw/zinc/50/20/58/780502058.db2.gz PYERTOAEKBPXSB-LLVKDONJSA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cocn1 ZINC001278053235 780502103 /nfs/dbraw/zinc/50/21/03/780502103.db2.gz DMPCFWXUDAQPGH-VHSXEESVSA-N 1 0 294.311 -1.507 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCn1cncn1 ZINC001278048193 780502241 /nfs/dbraw/zinc/50/22/41/780502241.db2.gz MOHWOPWAUISZTI-SNVBAGLBSA-N 1 0 251.290 -1.632 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1cccn1 ZINC001278048475 780502336 /nfs/dbraw/zinc/50/23/36/780502336.db2.gz PYERTOAEKBPXSB-NSHDSACASA-N 1 0 250.302 -1.027 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC(C)C1 ZINC001278061339 780503127 /nfs/dbraw/zinc/50/31/27/780503127.db2.gz KLUJZADMPIQFRB-MCIGGMRASA-N 1 0 281.356 -1.151 20 30 CAEDRO C/C=C(\C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001278063030 780503191 /nfs/dbraw/zinc/50/31/91/780503191.db2.gz XXPXJWLWNYFEDF-OTVCUZDGSA-N 1 0 268.317 -1.341 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC(C)C1 ZINC001278061337 780503212 /nfs/dbraw/zinc/50/32/12/780503212.db2.gz KLUJZADMPIQFRB-HTAVTVPLSA-N 1 0 281.356 -1.151 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001278069957 780503266 /nfs/dbraw/zinc/50/32/66/780503266.db2.gz FEKLUJOUQSNQLF-DTWKUNHWSA-N 1 0 256.306 -1.867 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCO1 ZINC001278071810 780503280 /nfs/dbraw/zinc/50/32/80/780503280.db2.gz QEQOIKCELCLHNI-QWRGUYRKSA-N 1 0 298.343 -1.738 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCn1ccnn1 ZINC001278071271 780503422 /nfs/dbraw/zinc/50/34/22/780503422.db2.gz NJIDCROLAHOGLQ-JTQLQIEISA-N 1 0 253.306 -1.079 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCO1 ZINC001278071805 780503458 /nfs/dbraw/zinc/50/34/58/780503458.db2.gz QEQOIKCELCLHNI-GHMZBOCLSA-N 1 0 298.343 -1.738 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1=CCOCC1 ZINC001278069954 780503575 /nfs/dbraw/zinc/50/35/75/780503575.db2.gz FCQOYGMGGLZHEL-NSHDSACASA-N 1 0 296.327 -1.960 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001278061304 780503734 /nfs/dbraw/zinc/50/37/34/780503734.db2.gz KFGILZIPDHLQPK-GFCCVEGCSA-N 1 0 280.328 -1.331 20 30 CAEDRO Cc1cc[nH]c1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001278071299 780503930 /nfs/dbraw/zinc/50/39/30/780503930.db2.gz NZKKXOVTNTWPSZ-JTQLQIEISA-N 1 0 293.327 -1.357 20 30 CAEDRO Cc1cc[nH]c1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001278071300 780503961 /nfs/dbraw/zinc/50/39/61/780503961.db2.gz NZKKXOVTNTWPSZ-SNVBAGLBSA-N 1 0 293.327 -1.357 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1N ZINC001278073083 780504696 /nfs/dbraw/zinc/50/46/96/780504696.db2.gz YFZURRULERYGHL-SECBINFHSA-N 1 0 265.317 -1.294 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H](C)NC(N)=O ZINC001278077623 780505090 /nfs/dbraw/zinc/50/50/90/780505090.db2.gz MEBPAGOXOLJNKQ-BDAKNGLRSA-N 1 0 256.306 -1.867 20 30 CAEDRO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001278078270 780505172 /nfs/dbraw/zinc/50/51/72/780505172.db2.gz UQIDNZSEFACRST-LBPRGKRZSA-N 1 0 281.356 -1.055 20 30 CAEDRO C#CCOCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001278078452 780505296 /nfs/dbraw/zinc/50/52/96/780505296.db2.gz WOWKKPGYYGFKKB-RYUDHWBXSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCOCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001278078453 780505563 /nfs/dbraw/zinc/50/55/63/780505563.db2.gz WOWKKPGYYGFKKB-VXGBXAGGSA-N 1 0 297.355 -1.628 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001278106059 780506671 /nfs/dbraw/zinc/50/66/71/780506671.db2.gz SWJVAXRMUXHGDO-VHSXEESVSA-N 1 0 276.358 -1.491 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(F)c[nH]1 ZINC001278112293 780506759 /nfs/dbraw/zinc/50/67/59/780506759.db2.gz JNQDZIXGXIPOBR-SNVBAGLBSA-N 1 0 296.302 -1.417 20 30 CAEDRO C=CCC[NH2+][C@H](CO)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001278106478 780507046 /nfs/dbraw/zinc/50/70/46/780507046.db2.gz ZXDHFWNRVFKBEN-LBPRGKRZSA-N 1 0 298.387 -1.597 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001278105367 780507079 /nfs/dbraw/zinc/50/70/79/780507079.db2.gz IWLKIDHMYWTDEM-BDAKNGLRSA-N 1 0 264.347 -1.328 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001278106058 780507103 /nfs/dbraw/zinc/50/71/03/780507103.db2.gz SWJVAXRMUXHGDO-UWVGGRQHSA-N 1 0 276.358 -1.491 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001278106477 780507151 /nfs/dbraw/zinc/50/71/51/780507151.db2.gz ZXDHFWNRVFKBEN-GFCCVEGCSA-N 1 0 298.387 -1.597 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)o1 ZINC001278111725 780507247 /nfs/dbraw/zinc/50/72/47/780507247.db2.gz DOHNAYQRBQSBCD-MRVPVSSYSA-N 1 0 265.269 -1.308 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1csnn1 ZINC001278120117 780508014 /nfs/dbraw/zinc/50/80/14/780508014.db2.gz RAXXINIQPXLBNM-MRVPVSSYSA-N 1 0 297.340 -2.032 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001278128158 780508341 /nfs/dbraw/zinc/50/83/41/780508341.db2.gz GMSYGWGELOEUFH-LLVKDONJSA-N 1 0 284.360 -1.939 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1coc(OC)n1 ZINC001278120477 780508767 /nfs/dbraw/zinc/50/87/67/780508767.db2.gz UNWLAEPEWVRONH-QMMMGPOBSA-N 1 0 253.258 -1.003 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001278129581 780508873 /nfs/dbraw/zinc/50/88/73/780508873.db2.gz OMMBXGPNJAACQL-QWRGUYRKSA-N 1 0 285.344 -1.786 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001278136849 780509284 /nfs/dbraw/zinc/50/92/84/780509284.db2.gz ALSJKZWNAFKROM-VIFPVBQESA-N 1 0 253.302 -1.658 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001278139319 780509411 /nfs/dbraw/zinc/50/94/11/780509411.db2.gz RLSFANFOVSIKHG-VHSXEESVSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001278139318 780509497 /nfs/dbraw/zinc/50/94/97/780509497.db2.gz RLSFANFOVSIKHG-UWVGGRQHSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CCN(C(=O)[C@H](C)NC(N)=O)C1CC[NH+](CCO)CC1 ZINC001278144490 780510145 /nfs/dbraw/zinc/51/01/45/780510145.db2.gz MUXQNWCJKKWTAK-NSHDSACASA-N 1 0 296.371 -1.038 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001278156229 780510826 /nfs/dbraw/zinc/51/08/26/780510826.db2.gz WGMLVEWPCQWVKR-GWCFXTLKSA-N 1 0 267.329 -1.397 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)NC(C)=O ZINC001278172452 780510840 /nfs/dbraw/zinc/51/08/40/780510840.db2.gz WKNMDKOJSZOIRH-LLVKDONJSA-N 1 0 269.345 -1.009 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1nccs1 ZINC001278172304 780510878 /nfs/dbraw/zinc/51/08/78/780510878.db2.gz SVWGUWOPYGYYTP-QMMMGPOBSA-N 1 0 297.340 -1.537 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC12CCC2 ZINC001278164950 780510996 /nfs/dbraw/zinc/51/09/96/780510996.db2.gz QHXKWDRMOAVVFJ-GHMZBOCLSA-N 1 0 294.355 -1.117 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)NC(C)=O ZINC001278172454 780511060 /nfs/dbraw/zinc/51/10/60/780511060.db2.gz WKNMDKOJSZOIRH-NSHDSACASA-N 1 0 269.345 -1.009 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001278171106 780511069 /nfs/dbraw/zinc/51/10/69/780511069.db2.gz BGJXFONMDDCUBD-VIFPVBQESA-N 1 0 268.273 -1.600 20 30 CAEDRO CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278154594 780511100 /nfs/dbraw/zinc/51/11/00/780511100.db2.gz FOSWCPAFMSMIPL-STQMWFEESA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001278156745 780511142 /nfs/dbraw/zinc/51/11/42/780511142.db2.gz ZZJROTMCNMJVNK-SNVBAGLBSA-N 1 0 292.339 -1.336 20 30 CAEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001278171974 780511154 /nfs/dbraw/zinc/51/11/54/780511154.db2.gz OGJWDCQETSJLBW-SNVBAGLBSA-N 1 0 268.321 -1.294 20 30 CAEDRO CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001278154591 780511208 /nfs/dbraw/zinc/51/12/08/780511208.db2.gz FOSWCPAFMSMIPL-CHWSQXEVSA-N 1 0 299.371 -1.382 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cccnn1 ZINC001278171367 780511430 /nfs/dbraw/zinc/51/14/30/780511430.db2.gz FUVKGTDOEXMALF-JTQLQIEISA-N 1 0 291.311 -2.094 20 30 CAEDRO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278154593 780511524 /nfs/dbraw/zinc/51/15/24/780511524.db2.gz FOSWCPAFMSMIPL-QWHCGFSZSA-N 1 0 299.371 -1.382 20 30 CAEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001278165623 780511616 /nfs/dbraw/zinc/51/16/16/780511616.db2.gz XVEKKHNOROYPKZ-UWVGGRQHSA-N 1 0 298.343 -1.383 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC12CCC2 ZINC001278164671 780511626 /nfs/dbraw/zinc/51/16/26/780511626.db2.gz KNIBZTVDWFJVNM-VXGBXAGGSA-N 1 0 293.367 -1.007 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001278171370 780511705 /nfs/dbraw/zinc/51/17/05/780511705.db2.gz FVUFLWARUICDAP-QMMMGPOBSA-N 1 0 281.272 -2.501 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001278156407 780511741 /nfs/dbraw/zinc/51/17/41/780511741.db2.gz WVXZWXNARVCYFX-GARJFASQSA-N 1 0 283.328 -1.891 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001278171290 780511866 /nfs/dbraw/zinc/51/18/66/780511866.db2.gz CZEBZUJQQYAVLK-VIFPVBQESA-N 1 0 294.311 -1.561 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001278171105 780511901 /nfs/dbraw/zinc/51/19/01/780511901.db2.gz BGJXFONMDDCUBD-SECBINFHSA-N 1 0 268.273 -1.600 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001278201470 780513929 /nfs/dbraw/zinc/51/39/29/780513929.db2.gz GOWZZGZUIBFZRM-VIFPVBQESA-N 1 0 268.317 -1.410 20 30 CAEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001278193983 780514036 /nfs/dbraw/zinc/51/40/36/780514036.db2.gz FQMHIUWRDSDFPN-SECBINFHSA-N 1 0 293.327 -1.168 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001278201958 780514164 /nfs/dbraw/zinc/51/41/64/780514164.db2.gz MKSGMUXMHSJCEK-NSHDSACASA-N 1 0 290.323 -1.116 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)NC ZINC001278201136 780514228 /nfs/dbraw/zinc/51/42/28/780514228.db2.gz AISKPPBRAADMTH-VIFPVBQESA-N 1 0 279.362 -1.822 20 30 CAEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCNC(N)=O ZINC001278193788 780514306 /nfs/dbraw/zinc/51/43/06/780514306.db2.gz CXUIVYDSOKAOLL-VIFPVBQESA-N 1 0 258.322 -1.312 20 30 CAEDRO CCOC(=O)[C@H](CS)NS(=O)(=O)CC[NH3+] ZINC001238345567 780517741 /nfs/dbraw/zinc/51/77/41/780517741.db2.gz WGJSRCIAXSAUGX-LURJTMIESA-N 1 0 256.349 -1.274 20 30 CAEDRO N#C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C(N)=O ZINC001238627282 780520769 /nfs/dbraw/zinc/52/07/69/780520769.db2.gz XDXLSOSRAWEVNU-QMMMGPOBSA-N 1 0 260.319 -1.717 20 30 CAEDRO C#CCCN1CCC[C@H](NS(=O)(=O)CC[NH3+])C1=O ZINC001238786432 780523141 /nfs/dbraw/zinc/52/31/41/780523141.db2.gz XZDNPSJMPNEOCP-JTQLQIEISA-N 1 0 273.358 -1.121 20 30 CAEDRO C[C@H](C#N)S(=O)(=O)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001239029719 780528811 /nfs/dbraw/zinc/52/88/11/780528811.db2.gz CQYIRLVJSIJMHA-NXEZZACHSA-N 1 0 258.347 -1.134 20 30 CAEDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)[C@@H](C)C#N ZINC001239120944 780531482 /nfs/dbraw/zinc/53/14/82/780531482.db2.gz JZDSRAHXMYQHKR-RNJXMRFFSA-N 1 0 261.303 -1.197 20 30 CAEDRO COCC#CC[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001278358328 780537252 /nfs/dbraw/zinc/53/72/52/780537252.db2.gz WSJRPLLZUCEYHD-ZDUSSCGKSA-N 1 0 292.343 -1.097 20 30 CAEDRO C=CCOCC(=O)N[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001278368535 780537378 /nfs/dbraw/zinc/53/73/78/780537378.db2.gz CCCVVTYXROQKSY-ZDUSSCGKSA-N 1 0 298.343 -1.036 20 30 CAEDRO CC(=O)NCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278333114 780537444 /nfs/dbraw/zinc/53/74/44/780537444.db2.gz CJHWYFHXNAJSQN-KOLCDFICSA-N 1 0 295.343 -1.659 20 30 CAEDRO C=CCOCC(=O)N[C@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001278368534 780537780 /nfs/dbraw/zinc/53/77/80/780537780.db2.gz CCCVVTYXROQKSY-CYBMUJFWSA-N 1 0 298.343 -1.036 20 30 CAEDRO C#CCOC[C@H](O)CN[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245983461 780539273 /nfs/dbraw/zinc/53/92/73/780539273.db2.gz LANVFZIZASEFPN-CKYFFXLPSA-N 1 0 253.302 -1.835 20 30 CAEDRO C#CCOC[C@@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246027607 780540844 /nfs/dbraw/zinc/54/08/44/780540844.db2.gz QBCWPSXDZSSKER-STQMWFEESA-N 1 0 253.346 -1.366 20 30 CAEDRO C#CCOC[C@@H](O)CN1CC[NH2+]C[C@H]1C(=O)OC ZINC001246047974 780540853 /nfs/dbraw/zinc/54/08/53/780540853.db2.gz GKNGDZQJGYBDFM-QWRGUYRKSA-N 1 0 256.302 -1.556 20 30 CAEDRO C#CCOC[C@H](O)CN1CCNC[C@@]12CC[NH2+]C2 ZINC001246029072 780541275 /nfs/dbraw/zinc/54/12/75/780541275.db2.gz OZZMBTAPWUINJV-OLZOCXBDSA-N 1 0 253.346 -1.366 20 30 CAEDRO C#CCOC[C@H](O)CN1CC[NH2+]C[C@H]1C(=O)OC ZINC001246047973 780541598 /nfs/dbraw/zinc/54/15/98/780541598.db2.gz GKNGDZQJGYBDFM-MNOVXSKESA-N 1 0 256.302 -1.556 20 30 CAEDRO C=CCOC[C@H](O)CN1CC[NH2+]C[C@H]1C(=O)OC ZINC001246049977 780542484 /nfs/dbraw/zinc/54/24/84/780542484.db2.gz UJCXEXPVXSRHAA-MNOVXSKESA-N 1 0 258.318 -1.003 20 30 CAEDRO C#CCOC[C@H](O)CN1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001246053945 780543005 /nfs/dbraw/zinc/54/30/05/780543005.db2.gz VNPIGWJTLULAFI-MXWKQRLJSA-N 1 0 256.302 -1.571 20 30 CAEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251042987 780573081 /nfs/dbraw/zinc/57/30/81/780573081.db2.gz KRBFDQADKBZNOU-DCAQKATOSA-N 1 0 273.333 -1.495 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001278738099 780595025 /nfs/dbraw/zinc/59/50/25/780595025.db2.gz ZEINWNFWFZAFGP-NXEZZACHSA-N 1 0 253.302 -1.693 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001251708560 780576209 /nfs/dbraw/zinc/57/62/09/780576209.db2.gz SUJVAWSTQVSZEH-NSHDSACASA-N 1 0 282.344 -1.163 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001251903630 780579481 /nfs/dbraw/zinc/57/94/81/780579481.db2.gz MOUDTRJLGWOGME-NEPJUHHUSA-N 1 0 299.371 -1.397 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001251904137 780579697 /nfs/dbraw/zinc/57/96/97/780579697.db2.gz VOWUSSRKUISXAE-LLVKDONJSA-N 1 0 276.358 -1.378 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]C1CCN(CC(=O)NC)CC1 ZINC001251896431 780579716 /nfs/dbraw/zinc/57/97/16/780579716.db2.gz IYHFWKRUFUUCDN-ZDUSSCGKSA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001251903427 780579808 /nfs/dbraw/zinc/57/98/08/780579808.db2.gz ITAZVKUODLQKNI-GUBZILKMSA-N 1 0 271.317 -2.035 20 30 CAEDRO C#CCOC[C@@H](O)C[NH2+]CCOCCN1C(=O)C=CC1=O ZINC001251896701 780579839 /nfs/dbraw/zinc/57/98/39/780579839.db2.gz LTQUMZRFBPHRCG-LBPRGKRZSA-N 1 0 296.323 -1.472 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001251896798 780579912 /nfs/dbraw/zinc/57/99/12/780579912.db2.gz NUMBMKWCBVNEIM-GFCCVEGCSA-N 1 0 290.385 -1.683 20 30 CAEDRO C#CCOC[C@H](O)C[NH2+]C1CCN(CC(=O)NC)CC1 ZINC001251896430 780580015 /nfs/dbraw/zinc/58/00/15/780580015.db2.gz IYHFWKRUFUUCDN-CYBMUJFWSA-N 1 0 283.372 -1.203 20 30 CAEDRO COCC#CC[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001278667098 780587200 /nfs/dbraw/zinc/58/72/00/780587200.db2.gz NBGMMKIDTMIPME-JTQLQIEISA-N 1 0 267.329 -1.052 20 30 CAEDRO C=C[C@](C)(O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O ZINC001252584713 780588233 /nfs/dbraw/zinc/58/82/33/780588233.db2.gz DQWHVTIBFCCJIY-NSHDSACASA-N 1 0 272.305 -2.769 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001278731448 780593492 /nfs/dbraw/zinc/59/34/92/780593492.db2.gz KIRAQNABUPWWKZ-SNVBAGLBSA-N 1 0 271.317 -1.225 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc[nH]1 ZINC001278732184 780593531 /nfs/dbraw/zinc/59/35/31/780593531.db2.gz PUZUOGWIHRSVLT-NSHDSACASA-N 1 0 292.339 -1.213 20 30 CAEDRO C=C[C@@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001253615795 780593572 /nfs/dbraw/zinc/59/35/72/780593572.db2.gz NNQSYIWDXRXKQM-HDYISPSHSA-N 1 0 277.317 -2.033 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001278732656 780593608 /nfs/dbraw/zinc/59/36/08/780593608.db2.gz UWXREHDJNPAGFW-LLVKDONJSA-N 1 0 250.302 -1.075 20 30 CAEDRO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CSCC#N ZINC001278730593 780593671 /nfs/dbraw/zinc/59/36/71/780593671.db2.gz FNXIIDJANJQHAR-MRVPVSSYSA-N 1 0 274.346 -1.863 20 30 CAEDRO C=C[C@@H](O)C[NH2+]CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001253609633 780593706 /nfs/dbraw/zinc/59/37/06/780593706.db2.gz WQMGHUQJQVJUKD-SNVBAGLBSA-N 1 0 296.327 -1.490 20 30 CAEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001278731447 780593753 /nfs/dbraw/zinc/59/37/53/780593753.db2.gz KIRAQNABUPWWKZ-JTQLQIEISA-N 1 0 271.317 -1.225 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001278732761 780593858 /nfs/dbraw/zinc/59/38/58/780593858.db2.gz WVWYXRHNQLPQQY-NSHDSACASA-N 1 0 267.329 -1.445 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737976 780594200 /nfs/dbraw/zinc/59/42/00/780594200.db2.gz XLQACJLVQIURLK-WDEREUQCSA-N 1 0 282.344 -1.143 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001278737876 780594500 /nfs/dbraw/zinc/59/45/00/780594500.db2.gz VWDAYIFDSHGSNR-MNOVXSKESA-N 1 0 280.328 -1.696 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278737975 780594809 /nfs/dbraw/zinc/59/48/09/780594809.db2.gz XLQACJLVQIURLK-QWRGUYRKSA-N 1 0 282.344 -1.143 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001278738133 780594941 /nfs/dbraw/zinc/59/49/41/780594941.db2.gz ZXXLSWIQDVWTBW-GHMZBOCLSA-N 1 0 267.329 -1.303 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001278738100 780594971 /nfs/dbraw/zinc/59/49/71/780594971.db2.gz ZEINWNFWFZAFGP-VHSXEESVSA-N 1 0 253.302 -1.693 20 30 CAEDRO CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001278756543 780597167 /nfs/dbraw/zinc/59/71/67/780597167.db2.gz QUHBWLQMJQTNFS-JTQLQIEISA-N 1 0 255.318 -1.460 20 30 CAEDRO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757004 780597341 /nfs/dbraw/zinc/59/73/41/780597341.db2.gz XUMXPZKDYGHKBF-PWSUYJOCSA-N 1 0 281.356 -1.057 20 30 CAEDRO CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001278754768 780597482 /nfs/dbraw/zinc/59/74/82/780597482.db2.gz AWVSCSMKHBUPLH-RYUDHWBXSA-N 1 0 281.356 -1.057 20 30 CAEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001278754766 780598030 /nfs/dbraw/zinc/59/80/30/780598030.db2.gz AWVSCSMKHBUPLH-NEPJUHHUSA-N 1 0 281.356 -1.057 20 30 CAEDRO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278757003 780598110 /nfs/dbraw/zinc/59/81/10/780598110.db2.gz XUMXPZKDYGHKBF-JQWIXIFHSA-N 1 0 281.356 -1.057 20 30 CAEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001278754769 780598240 /nfs/dbraw/zinc/59/82/40/780598240.db2.gz AWVSCSMKHBUPLH-VXGBXAGGSA-N 1 0 281.356 -1.057 20 30 CAEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001278761639 780599292 /nfs/dbraw/zinc/59/92/92/780599292.db2.gz GTBGTOWGLJVQNI-LLVKDONJSA-N 1 0 288.369 -1.537 20 30 CAEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001278765894 780600266 /nfs/dbraw/zinc/60/02/66/780600266.db2.gz DWQUHKQLWZPOSI-RISCZKNCSA-N 1 0 279.340 -1.159 20 30 CAEDRO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001278770758 780600925 /nfs/dbraw/zinc/60/09/25/780600925.db2.gz FGCRIYDMHOIWJL-GWCFXTLKSA-N 1 0 282.344 -1.381 20 30 CAEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001278768119 780601283 /nfs/dbraw/zinc/60/12/83/780601283.db2.gz OIDQLLYPTIZTGC-VXGBXAGGSA-N 1 0 281.356 -1.055 20 30 CAEDRO C=CCOCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001278766148 780601393 /nfs/dbraw/zinc/60/13/93/780601393.db2.gz HASHYDHIERINIU-SMDDNHRTSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001278770759 780601404 /nfs/dbraw/zinc/60/14/04/780601404.db2.gz FGCRIYDMHOIWJL-GXFFZTMASA-N 1 0 282.344 -1.381 20 30 CAEDRO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 ZINC001278776473 780602987 /nfs/dbraw/zinc/60/29/87/780602987.db2.gz JGMSXDGAIJRGDH-DZGCQCFKSA-N 1 0 296.367 -1.040 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001278776704 780603089 /nfs/dbraw/zinc/60/30/89/780603089.db2.gz MMNHAGCEXOOYLL-SKDRFNHKSA-N 1 0 267.285 -1.719 20 30 CAEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn(C)c(=O)n(C)c2=O)N1 ZINC001254352652 780604522 /nfs/dbraw/zinc/60/45/22/780604522.db2.gz YHZHLAICDIPARH-SSDOTTSWSA-N 1 0 264.289 -1.645 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001278799409 780606430 /nfs/dbraw/zinc/60/64/30/780606430.db2.gz AIZMKLKJTYSGCD-SKDRFNHKSA-N 1 0 266.301 -2.146 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)nn1 ZINC001278811491 780607141 /nfs/dbraw/zinc/60/71/41/780607141.db2.gz VLMRRVDGDZWLCO-ZDUSSCGKSA-N 1 0 295.343 -1.377 20 30 CAEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001278804004 780607862 /nfs/dbraw/zinc/60/78/62/780607862.db2.gz KLIQXTORBBYCKA-BBBLOLIVSA-N 1 0 253.302 -1.850 20 30 CAEDRO C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001278816239 780608654 /nfs/dbraw/zinc/60/86/54/780608654.db2.gz OUMUZIFDNWNNLU-CQSZACIVSA-N 1 0 290.323 -1.087 20 30 CAEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001278818258 780608742 /nfs/dbraw/zinc/60/87/42/780608742.db2.gz ZSFDPSCUJXFQTC-VIFPVBQESA-N 1 0 251.290 -1.529 20 30 CAEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001278816237 780608830 /nfs/dbraw/zinc/60/88/30/780608830.db2.gz OUMUZIFDNWNNLU-AWEZNQCLSA-N 1 0 290.323 -1.087 20 30 CAEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001278859667 780613603 /nfs/dbraw/zinc/61/36/03/780613603.db2.gz FZGQOLJIOOWXAZ-RYUDHWBXSA-N 1 0 281.356 -1.103 20 30 CAEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001278859668 780613865 /nfs/dbraw/zinc/61/38/65/780613865.db2.gz FZGQOLJIOOWXAZ-VXGBXAGGSA-N 1 0 281.356 -1.103 20 30 CAEDRO N#CCN1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278922546 780620889 /nfs/dbraw/zinc/62/08/89/780620889.db2.gz HMQSMHHKKQAMCH-UHFFFAOYSA-N 1 0 264.329 -1.231 20 30 CAEDRO C#CCN1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001278932349 780623535 /nfs/dbraw/zinc/62/35/35/780623535.db2.gz ROTUDQDFSHCBAL-ZDUSSCGKSA-N 1 0 295.383 -1.249 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001278991582 780627522 /nfs/dbraw/zinc/62/75/22/780627522.db2.gz JUYBMKFLNBIYMV-WDEREUQCSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001258462829 780633565 /nfs/dbraw/zinc/63/35/65/780633565.db2.gz NPBQZYDBWCCZNT-UHFFFAOYSA-N 1 0 290.367 -1.414 20 30 CAEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001258807723 780634923 /nfs/dbraw/zinc/63/49/23/780634923.db2.gz KAJZJIJKVQWCPZ-KISRQWFGSA-N 1 0 275.345 -1.203 20 30 CAEDRO C=CCC[C@@H](C)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001258722216 780635106 /nfs/dbraw/zinc/63/51/06/780635106.db2.gz MWHOQIAMDRNHBJ-PAUJSFGCSA-N 1 0 261.318 -1.269 20 30 CAEDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC(=O)NCC#N)C1 ZINC001261100736 780656997 /nfs/dbraw/zinc/65/69/97/780656997.db2.gz ZCZMFZDWEJXMAH-NSHDSACASA-N 1 0 269.305 -2.008 20 30 CAEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC(=O)NCC#N)C1 ZINC001261100735 780657734 /nfs/dbraw/zinc/65/77/34/780657734.db2.gz ZCZMFZDWEJXMAH-LLVKDONJSA-N 1 0 269.305 -2.008 20 30 CAEDRO COCC(=O)NCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001261461869 780665574 /nfs/dbraw/zinc/66/55/74/780665574.db2.gz AYCKBENCYHRCBP-DTWKUNHWSA-N 1 0 254.290 -1.633 20 30 CAEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCN1C(=O)CNC1=O ZINC001261494969 780667820 /nfs/dbraw/zinc/66/78/20/780667820.db2.gz LRUADHVVRZUCDT-IUCAKERBSA-N 1 0 279.300 -1.454 20 30 CAEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCN1C(=O)CNC1=O ZINC001261494970 780667937 /nfs/dbraw/zinc/66/79/37/780667937.db2.gz LRUADHVVRZUCDT-RKDXNWHRSA-N 1 0 279.300 -1.454 20 30 CAEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001261622144 780673421 /nfs/dbraw/zinc/67/34/21/780673421.db2.gz RAAQYPRQPAUOGB-GFCCVEGCSA-N 1 0 279.340 -1.133 20 30 CAEDRO C=CCOCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC001261633999 780674651 /nfs/dbraw/zinc/67/46/51/780674651.db2.gz VSMDLNDHMRTCPV-UHFFFAOYSA-N 1 0 298.387 -1.283 20 30 CAEDRO C#CCOCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261632906 780674654 /nfs/dbraw/zinc/67/46/54/780674654.db2.gz QAHLXSSHWYVQGE-UHFFFAOYSA-N 1 0 265.313 -1.379 20 30 CAEDRO CC#CCCNC(=O)C(=O)NCCOCCC[NH3+] ZINC001261824097 780687251 /nfs/dbraw/zinc/68/72/51/780687251.db2.gz QEJXBQVQUASYGA-UHFFFAOYSA-N 1 0 255.318 -1.002 20 30 CAEDRO NC(=O)NC(=O)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC001261643684 780675985 /nfs/dbraw/zinc/67/59/85/780675985.db2.gz AXISWFOEHYKEBW-UHFFFAOYSA-N 1 0 266.301 -1.309 20 30 CAEDRO C=C[C@H](CO)[NH2+]CCS(=O)(=O)CCC(N)=O ZINC001261642806 780676126 /nfs/dbraw/zinc/67/61/26/780676126.db2.gz VQYHXNCWJYTFIA-MRVPVSSYSA-N 1 0 250.320 -1.587 20 30 CAEDRO N#CCCCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001261821228 780687328 /nfs/dbraw/zinc/68/73/28/780687328.db2.gz UWBIQDSRVAAAFK-SNVBAGLBSA-N 1 0 268.317 -1.099 20 30 CAEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001261861992 780691379 /nfs/dbraw/zinc/69/13/79/780691379.db2.gz LRYJXOZJXQLRHW-GFCCVEGCSA-N 1 0 293.371 -1.008 20 30 CAEDRO C[NH2+]CCOCCN(C)C(=O)Cn1cnc(C#N)n1 ZINC001262009453 780696004 /nfs/dbraw/zinc/69/60/04/780696004.db2.gz XRTOSZLYEORJKL-UHFFFAOYSA-N 1 0 266.305 -1.156 20 30 CAEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC001262204504 780704337 /nfs/dbraw/zinc/70/43/37/780704337.db2.gz UVOCXMBWRURJRQ-LBPRGKRZSA-N 1 0 294.355 -2.132 20 30 CAEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001262491417 780711702 /nfs/dbraw/zinc/71/17/02/780711702.db2.gz BJIITWTZFIRLOX-LLVKDONJSA-N 1 0 269.349 -1.192 20 30 CAEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC001262488530 780711705 /nfs/dbraw/zinc/71/17/05/780711705.db2.gz FCCFTINSSGCLOR-GWCFXTLKSA-N 1 0 280.328 -1.052 20 30 CAEDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001262489856 780712122 /nfs/dbraw/zinc/71/21/22/780712122.db2.gz KAHNIJDYJWECKR-WDEREUQCSA-N 1 0 296.327 -1.816 20 30 CAEDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001262489853 780712134 /nfs/dbraw/zinc/71/21/34/780712134.db2.gz KAHNIJDYJWECKR-GHMZBOCLSA-N 1 0 296.327 -1.816 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001262543957 780714302 /nfs/dbraw/zinc/71/43/02/780714302.db2.gz PGGJJSVPEUOVNE-GHMZBOCLSA-N 1 0 267.329 -1.194 20 30 CAEDRO C#CCOCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001262543708 780714312 /nfs/dbraw/zinc/71/43/12/780714312.db2.gz JAXBUNWAHXPAKE-JTQLQIEISA-N 1 0 253.302 -1.298 20 30 CAEDRO C#CCNCC(=O)N1CCN(CCOC)C(=O)C1 ZINC001263124622 780720965 /nfs/dbraw/zinc/72/09/65/780720965.db2.gz PQTYJHOUMBIKTB-UHFFFAOYSA-N 1 0 253.302 -1.474 20 30 CAEDRO C=CCNC(=O)CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001263113465 780721054 /nfs/dbraw/zinc/72/10/54/780721054.db2.gz JWZUHBLUMURREI-LBPRGKRZSA-N 1 0 255.318 -1.091 20 30 CAEDRO CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)NCC1=O ZINC001263105651 780721713 /nfs/dbraw/zinc/72/17/13/780721713.db2.gz UQSJFUCKDQVJMD-IWSPIJDZSA-N 1 0 251.290 -2.356 20 30 CAEDRO N#C[C@]12CN(C(=O)[C@H]3CC[NH2+]3)C[C@@H]1CS(=O)(=O)C2 ZINC001263231166 780724559 /nfs/dbraw/zinc/72/45/59/780724559.db2.gz YWWYWQQZAFHZEI-FXPVBKGRSA-N 1 0 269.326 -1.255 20 30 CAEDRO COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001263834023 780731858 /nfs/dbraw/zinc/73/18/58/780731858.db2.gz WSLHRTZDXHKBNO-TXEJJXNPSA-N 1 0 292.343 -1.193 20 30 CAEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)c1ncn(C)n1 ZINC001264982111 780739582 /nfs/dbraw/zinc/73/95/82/780739582.db2.gz COSFILMGXVUXQA-UHFFFAOYSA-N 1 0 292.343 -1.384 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C(N)=O ZINC001265030962 780741442 /nfs/dbraw/zinc/74/14/42/780741442.db2.gz RGMDOUBOCZBZFD-SECBINFHSA-N 1 0 270.333 -1.400 20 30 CAEDRO C[N@H+](CCCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NCC#N ZINC001265028595 780741736 /nfs/dbraw/zinc/74/17/36/780741736.db2.gz DCMTWXCRTLRBDS-SECBINFHSA-N 1 0 296.331 -2.254 20 30 CAEDRO C#CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001265308480 780747259 /nfs/dbraw/zinc/74/72/59/780747259.db2.gz SYEKAEJAYQKINV-NSHDSACASA-N 1 0 290.323 -1.250 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC(=O)NCC)C1 ZINC001265474085 780751009 /nfs/dbraw/zinc/75/10/09/780751009.db2.gz KJJHGEOSAHCPMU-XYPYZODXSA-N 1 0 294.355 -1.501 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001265460833 780751207 /nfs/dbraw/zinc/75/12/07/780751207.db2.gz ANIFHOWRWLXRLH-NSHDSACASA-N 1 0 290.327 -1.287 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001265475390 780751362 /nfs/dbraw/zinc/75/13/62/780751362.db2.gz JWJWBVKAPVASNY-GUBZILKMSA-N 1 0 294.311 -1.919 20 30 CAEDRO COCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265525960 780752760 /nfs/dbraw/zinc/75/27/60/780752760.db2.gz OOMBPULHYRYUPH-AOOOYVTPSA-N 1 0 268.317 -1.101 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001265554038 780753145 /nfs/dbraw/zinc/75/31/45/780753145.db2.gz KUGLKVQODSJETB-AOOOYVTPSA-N 1 0 294.355 -1.209 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001265621761 780754136 /nfs/dbraw/zinc/75/41/36/780754136.db2.gz PEQVAXAJEBJOJW-GHMZBOCLSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001265621764 780754181 /nfs/dbraw/zinc/75/41/81/780754181.db2.gz PEQVAXAJEBJOJW-WDEREUQCSA-N 1 0 294.355 -1.562 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001265621762 780754236 /nfs/dbraw/zinc/75/42/36/780754236.db2.gz PEQVAXAJEBJOJW-MNOVXSKESA-N 1 0 294.355 -1.562 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CNC(=O)NC ZINC001265781621 780756508 /nfs/dbraw/zinc/75/65/08/780756508.db2.gz IOIYTUZAMKYOCZ-UWVGGRQHSA-N 1 0 299.375 -1.300 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC(=O)NCC ZINC001265769418 780756806 /nfs/dbraw/zinc/75/68/06/780756806.db2.gz UZDVUPKCXIFPOG-MNOVXSKESA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC(=O)NCC ZINC001265769419 780756822 /nfs/dbraw/zinc/75/68/22/780756822.db2.gz UZDVUPKCXIFPOG-QWRGUYRKSA-N 1 0 296.371 -1.255 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC(C)(C)O ZINC001265771015 780757400 /nfs/dbraw/zinc/75/74/00/780757400.db2.gz OHHLZDCZOBOBDB-SNVBAGLBSA-N 1 0 269.345 -1.009 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001265793972 780758848 /nfs/dbraw/zinc/75/88/48/780758848.db2.gz DVEJMAVEMPFZLN-MNOVXSKESA-N 1 0 294.355 -1.644 20 30 CAEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001265832830 780759491 /nfs/dbraw/zinc/75/94/91/780759491.db2.gz RHLSHCSIFOGPJG-UWVGGRQHSA-N 1 0 296.327 -1.671 20 30 CAEDRO C=CC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001265832132 780759877 /nfs/dbraw/zinc/75/98/77/780759877.db2.gz CJLQIAOCIQJDDT-SECBINFHSA-N 1 0 280.328 -1.022 20 30 CAEDRO CC#CC[NH2+][C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001265823876 780759888 /nfs/dbraw/zinc/75/98/88/780759888.db2.gz OAMLDNFNRGQOAG-MRVPVSSYSA-N 1 0 299.356 -1.212 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001265819094 780760360 /nfs/dbraw/zinc/76/03/60/780760360.db2.gz YLSKVZXFXGQFEW-VHSXEESVSA-N 1 0 294.355 -1.516 20 30 CAEDRO C[C@@H](CNC(=O)Cc1cncn1C)[NH2+]CC(=O)NCC#N ZINC001265852311 780761270 /nfs/dbraw/zinc/76/12/70/780761270.db2.gz ZQQVAFJDCXCBIV-JTQLQIEISA-N 1 0 292.343 -1.303 20 30 CAEDRO C[C@H](CNC(=O)c1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001265841408 780761476 /nfs/dbraw/zinc/76/14/76/780761476.db2.gz NOOKIXQNBPYNGL-SSDOTTSWSA-N 1 0 265.277 -1.848 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@H](C)[NH2+]CC(=O)NC)nn1 ZINC001265835448 780761761 /nfs/dbraw/zinc/76/17/61/780761761.db2.gz NZOQQDSZZGYUOI-VIFPVBQESA-N 1 0 280.332 -1.082 20 30 CAEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)nn1 ZINC001265835447 780762015 /nfs/dbraw/zinc/76/20/15/780762015.db2.gz NZOQQDSZZGYUOI-SECBINFHSA-N 1 0 280.332 -1.082 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001265854081 780762136 /nfs/dbraw/zinc/76/21/36/780762136.db2.gz WNCFZVADYNOYCB-UWVGGRQHSA-N 1 0 282.344 -1.339 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001265901474 780763202 /nfs/dbraw/zinc/76/32/02/780763202.db2.gz XYCHUZZLNXQVNO-DTWKUNHWSA-N 1 0 295.299 -2.075 20 30 CAEDRO CC(C)[C@@H](O)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265900786 780763365 /nfs/dbraw/zinc/76/33/65/780763365.db2.gz JMMAVJJKFAHJOU-CMPLNLGQSA-N 1 0 282.344 -1.166 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001265900521 780763574 /nfs/dbraw/zinc/76/35/74/780763574.db2.gz AKVUREGTVZMNDO-NSHDSACASA-N 1 0 288.311 -1.080 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001265893124 780763621 /nfs/dbraw/zinc/76/36/21/780763621.db2.gz ZNAJKUBOAHEYCV-MNOVXSKESA-N 1 0 280.328 -1.147 20 30 CAEDRO C[C@H](CNC(=O)c1ccn(C)n1)[NH2+]CC(=O)NCC#N ZINC001265863806 780763714 /nfs/dbraw/zinc/76/37/14/780763714.db2.gz LCEQWLVBEYAVMP-SECBINFHSA-N 1 0 278.316 -1.232 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001265893125 780763746 /nfs/dbraw/zinc/76/37/46/780763746.db2.gz ZNAJKUBOAHEYCV-QWRGUYRKSA-N 1 0 280.328 -1.147 20 30 CAEDRO Cc1n[nH]nc1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265922984 780764764 /nfs/dbraw/zinc/76/47/64/780764764.db2.gz DKYIOIJAZXGCQT-VIFPVBQESA-N 1 0 291.315 -1.443 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1 ZINC001265927180 780764983 /nfs/dbraw/zinc/76/49/83/780764983.db2.gz XJCYGJOIBWEAHY-QMMMGPOBSA-N 1 0 254.290 -2.036 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266004249 780766475 /nfs/dbraw/zinc/76/64/75/780766475.db2.gz BGTYKMGJFHVATJ-LBPRGKRZSA-N 1 0 278.356 -1.511 20 30 CAEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001265990508 780766536 /nfs/dbraw/zinc/76/65/36/780766536.db2.gz QDSRJPJSQZFIFS-LLVKDONJSA-N 1 0 277.328 -1.347 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001266013483 780767463 /nfs/dbraw/zinc/76/74/63/780767463.db2.gz YAUYNUZXEIMQLH-VHSXEESVSA-N 1 0 282.344 -1.400 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001266012340 780767544 /nfs/dbraw/zinc/76/75/44/780767544.db2.gz BAYBQRZAKMFZCN-UWVGGRQHSA-N 1 0 250.302 -1.261 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001266013481 780767785 /nfs/dbraw/zinc/76/77/85/780767785.db2.gz YAUYNUZXEIMQLH-UWVGGRQHSA-N 1 0 282.344 -1.400 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001266066561 780768457 /nfs/dbraw/zinc/76/84/57/780768457.db2.gz CQEVEDDDBIPKIA-RKDXNWHRSA-N 1 0 281.316 -1.872 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CC(N)=O ZINC001266134013 780768662 /nfs/dbraw/zinc/76/86/62/780768662.db2.gz QXUJYUMLDSQOGE-VIFPVBQESA-N 1 0 268.317 -1.904 20 30 CAEDRO C[C@H](CCNC(=O)C1=COCCO1)[NH2+]CC(=O)NCC#N ZINC001266125175 780769011 /nfs/dbraw/zinc/76/90/11/780769011.db2.gz VQFZPEPAHYGVKI-SNVBAGLBSA-N 1 0 296.327 -1.001 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001266052985 780769053 /nfs/dbraw/zinc/76/90/53/780769053.db2.gz ZAVOEQUXMUYDCH-MNOVXSKESA-N 1 0 294.355 -1.372 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001266066559 780769076 /nfs/dbraw/zinc/76/90/76/780769076.db2.gz CQEVEDDDBIPKIA-DTWKUNHWSA-N 1 0 281.316 -1.872 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001266066558 780769480 /nfs/dbraw/zinc/76/94/80/780769480.db2.gz CQEVEDDDBIPKIA-BDAKNGLRSA-N 1 0 281.316 -1.872 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)C(N)=O ZINC001266152687 780770137 /nfs/dbraw/zinc/77/01/37/780770137.db2.gz QTUXYIVCHLNXDY-JTQLQIEISA-N 1 0 296.371 -1.268 20 30 CAEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1CCOCC1=O ZINC001266149289 780770168 /nfs/dbraw/zinc/77/01/68/780770168.db2.gz SWSHSIINTZHPEU-NSHDSACASA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001266149469 780770436 /nfs/dbraw/zinc/77/04/36/780770436.db2.gz WWEBXBLJZOSITR-SNVBAGLBSA-N 1 0 275.374 -1.005 20 30 CAEDRO C#CCC[NH2+][C@H](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001266147173 780770536 /nfs/dbraw/zinc/77/05/36/780770536.db2.gz WWPUWNUKFUPBGD-SNVBAGLBSA-N 1 0 292.343 -1.115 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266151260 780770551 /nfs/dbraw/zinc/77/05/51/780770551.db2.gz ACOOESQRNOHBGT-BDAKNGLRSA-N 1 0 266.301 -1.298 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C(N)=O ZINC001266172244 780770577 /nfs/dbraw/zinc/77/05/77/780770577.db2.gz CDDHOOCQABNGDH-QMMMGPOBSA-N 1 0 254.290 -2.295 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C(N)=O)C1 ZINC001279280419 780771373 /nfs/dbraw/zinc/77/13/73/780771373.db2.gz JXPXUFVZXBUVIF-XNWIYYODSA-N 1 0 282.344 -1.259 20 30 CAEDRO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)C(N)=O ZINC001266231766 780771503 /nfs/dbraw/zinc/77/15/03/780771503.db2.gz PNIUWXBRVQPBKH-SNVBAGLBSA-N 1 0 295.343 -1.528 20 30 CAEDRO C#CC[NH2+][C@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266186951 780772024 /nfs/dbraw/zinc/77/20/24/780772024.db2.gz MQGGHCCJVGXMBJ-SECBINFHSA-N 1 0 266.301 -1.344 20 30 CAEDRO C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001279510086 780773712 /nfs/dbraw/zinc/77/37/12/780773712.db2.gz UNNWRMLENXNTII-RISCZKNCSA-N 1 0 294.355 -1.366 20 30 CAEDRO C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001279346813 780773768 /nfs/dbraw/zinc/77/37/68/780773768.db2.gz DDFHYMWTWGZGEB-PHIMTYICSA-N 1 0 294.355 -1.446 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001279680740 780774706 /nfs/dbraw/zinc/77/47/06/780774706.db2.gz SMXNHXFOZUILMZ-LBPRGKRZSA-N 1 0 271.361 -1.087 20 30 CAEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001279680739 780775847 /nfs/dbraw/zinc/77/58/47/780775847.db2.gz SMXNHXFOZUILMZ-GFCCVEGCSA-N 1 0 271.361 -1.087 20 30 CAEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)c2cn[nH]n2)CCC1 ZINC001280491152 780782797 /nfs/dbraw/zinc/78/27/97/780782797.db2.gz KHSSLMCKDFZTKH-UHFFFAOYSA-N 1 0 291.315 -1.313 20 30 CAEDRO C#CC[NH2+]C1(CNC(=O)CNS(=O)(=O)NC)CCC1 ZINC001280494873 780782996 /nfs/dbraw/zinc/78/29/96/780782996.db2.gz GKBALYRYKHIZJO-UHFFFAOYSA-N 1 0 288.373 -1.698 20 30 CAEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280566378 780783733 /nfs/dbraw/zinc/78/37/33/780783733.db2.gz MGEMLRPPLYKNAB-NSHDSACASA-N 1 0 283.328 -1.671 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280565707 780783913 /nfs/dbraw/zinc/78/39/13/780783913.db2.gz GYMMNSAXKYHVKY-JTQLQIEISA-N 1 0 298.343 -2.019 20 30 CAEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC)CCO1 ZINC001280549203 780784255 /nfs/dbraw/zinc/78/42/55/780784255.db2.gz SNOIABDLXZYMSM-LLVKDONJSA-N 1 0 285.344 -1.248 20 30 CAEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001280602177 780785028 /nfs/dbraw/zinc/78/50/28/780785028.db2.gz XULWCEGLHQYRIB-LLVKDONJSA-N 1 0 293.327 -1.115 20 30 CAEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 ZINC001280622237 780785090 /nfs/dbraw/zinc/78/50/90/780785090.db2.gz XYTQENHWLKLXRT-VXGBXAGGSA-N 1 0 294.355 -1.150 20 30 CAEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 ZINC001280622236 780785099 /nfs/dbraw/zinc/78/50/99/780785099.db2.gz XYTQENHWLKLXRT-RYUDHWBXSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 ZINC001280618470 780785187 /nfs/dbraw/zinc/78/51/87/780785187.db2.gz AJLAVEOIZLODND-WDEREUQCSA-N 1 0 267.329 -1.052 20 30 CAEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 ZINC001280618468 780785206 /nfs/dbraw/zinc/78/52/06/780785206.db2.gz AJLAVEOIZLODND-QWRGUYRKSA-N 1 0 267.329 -1.052 20 30 CAEDRO C=CCOCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001281102850 780795039 /nfs/dbraw/zinc/79/50/39/780795039.db2.gz BYFZBKWDKISUQD-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CNC(=O)NC)C1 ZINC001281137193 780797105 /nfs/dbraw/zinc/79/71/05/780797105.db2.gz KHTDSDFKJQUPGD-CQSZACIVSA-N 1 0 296.371 -1.118 20 30 CAEDRO COCC#CC[NH2+]CC1(NC(=O)CC(N)=O)CCOCC1 ZINC001281226621 780797512 /nfs/dbraw/zinc/79/75/12/780797512.db2.gz YJLFIVCSRFLYCH-UHFFFAOYSA-N 1 0 297.355 -1.233 20 30 CAEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001281626625 780803448 /nfs/dbraw/zinc/80/34/48/780803448.db2.gz JQBYKSOPDQQZCQ-UHFFFAOYSA-N 1 0 292.343 -1.210 20 30 CAEDRO C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001281603438 780804120 /nfs/dbraw/zinc/80/41/20/780804120.db2.gz NVUBCJDCXSBFIS-ZDUSSCGKSA-N 1 0 295.383 -1.107 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cnnn1C ZINC001281713069 780806940 /nfs/dbraw/zinc/80/69/40/780806940.db2.gz NJONARGVIKYYSD-JTQLQIEISA-N 1 0 292.343 -1.338 20 30 CAEDRO C#CCC[NH+]1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001281799314 780807125 /nfs/dbraw/zinc/80/71/25/780807125.db2.gz QWTXOVBSZCZNII-UHFFFAOYSA-N 1 0 292.343 -1.361 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cnon1 ZINC001281758181 780807159 /nfs/dbraw/zinc/80/71/59/780807159.db2.gz XYLZCOXFIFCOEM-VIFPVBQESA-N 1 0 279.300 -1.083 20 30 CAEDRO C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001281713359 780807456 /nfs/dbraw/zinc/80/74/56/780807456.db2.gz VEBFMHLFFHJMHH-IUCAKERBSA-N 1 0 297.315 -1.781 20 30 CAEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001281880855 780808496 /nfs/dbraw/zinc/80/84/96/780808496.db2.gz BUNUVIUFWGCVQT-VIFPVBQESA-N 1 0 281.316 -1.918 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001282207897 780813841 /nfs/dbraw/zinc/81/38/41/780813841.db2.gz RBWYHCHFZNRSSR-DTWKUNHWSA-N 1 0 278.316 -1.350 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1nnc[nH]1 ZINC001282207899 780815100 /nfs/dbraw/zinc/81/51/00/780815100.db2.gz RBWYHCHFZNRSSR-IUCAKERBSA-N 1 0 278.316 -1.350 20 30 CAEDRO COCC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001282902370 780828205 /nfs/dbraw/zinc/82/82/05/780828205.db2.gz FVOJMWSOWMJHKP-NEPJUHHUSA-N 1 0 297.355 -1.283 20 30 CAEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001283103140 780843320 /nfs/dbraw/zinc/84/33/20/780843320.db2.gz JBHZHHPCIDHCKZ-XYPYZODXSA-N 1 0 292.339 -1.002 20 30 CAEDRO CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283470523 780853470 /nfs/dbraw/zinc/85/34/70/780853470.db2.gz DDWFEDSPOJAXFH-LLVKDONJSA-N 1 0 282.344 -1.196 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC(N)=O ZINC001283590008 780855086 /nfs/dbraw/zinc/85/50/86/780855086.db2.gz CCSNRJAEGLBWOW-SECBINFHSA-N 1 0 270.333 -1.400 20 30 CAEDRO CC(C)(F)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283721286 780857044 /nfs/dbraw/zinc/85/70/44/780857044.db2.gz DGPOTEUXJSSLFT-QMMMGPOBSA-N 1 0 274.296 -1.559 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCOCC1 ZINC001283723830 780857093 /nfs/dbraw/zinc/85/70/93/780857093.db2.gz MHDWYZBGZDWSRG-GFCCVEGCSA-N 1 0 299.371 -1.218 20 30 CAEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001283679571 780857397 /nfs/dbraw/zinc/85/73/97/780857397.db2.gz XCQJNROYOYEKTL-KOLCDFICSA-N 1 0 284.360 -1.011 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCn1cncn1 ZINC001283736833 780858758 /nfs/dbraw/zinc/85/87/58/780858758.db2.gz XKMNYHQSVGKSSV-SNVBAGLBSA-N 1 0 253.306 -1.079 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001283733533 780858772 /nfs/dbraw/zinc/85/87/72/780858772.db2.gz NBOIHNDHQXWING-JQWIXIFHSA-N 1 0 285.344 -1.773 20 30 CAEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001283742901 780858813 /nfs/dbraw/zinc/85/88/13/780858813.db2.gz APFCGOJSNMRTEE-NSHDSACASA-N 1 0 280.328 -1.250 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001283741584 780859203 /nfs/dbraw/zinc/85/92/03/780859203.db2.gz ANILSOUQHWPBNY-NXEZZACHSA-N 1 0 253.302 -1.788 20 30 CAEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001283733535 780859447 /nfs/dbraw/zinc/85/94/47/780859447.db2.gz NBOIHNDHQXWING-ZYHUDNBSSA-N 1 0 285.344 -1.773 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)SC ZINC001283735328 780859528 /nfs/dbraw/zinc/85/95/28/780859528.db2.gz SNVRAQXLYYJQOC-NXEZZACHSA-N 1 0 287.385 -1.446 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(CC)n1 ZINC001283743112 780859760 /nfs/dbraw/zinc/85/97/60/780859760.db2.gz DTXYNBHQOYGRQE-SECBINFHSA-N 1 0 251.290 -1.389 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001283742131 780860036 /nfs/dbraw/zinc/86/00/36/780860036.db2.gz GABAKXWYPILPNM-VIFPVBQESA-N 1 0 251.290 -1.563 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn(CC)n1 ZINC001283743113 780860203 /nfs/dbraw/zinc/86/02/03/780860203.db2.gz DTXYNBHQOYGRQE-VIFPVBQESA-N 1 0 251.290 -1.389 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001283745561 780860385 /nfs/dbraw/zinc/86/03/85/780860385.db2.gz RDOBCQXMGJIZCI-VIFPVBQESA-N 1 0 296.331 -2.202 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001283744854 780860525 /nfs/dbraw/zinc/86/05/25/780860525.db2.gz NWSQSIQESORCFW-ZJUUUORDSA-N 1 0 298.343 -1.560 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001283744666 780860638 /nfs/dbraw/zinc/86/06/38/780860638.db2.gz MWANUCRVYYOZDL-JTQLQIEISA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001283744670 780860712 /nfs/dbraw/zinc/86/07/12/780860712.db2.gz MWANUCRVYYOZDL-SNVBAGLBSA-N 1 0 293.327 -2.150 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCCC(=O)NC ZINC001283744941 780860724 /nfs/dbraw/zinc/86/07/24/780860724.db2.gz OGYMTSZGYTWBCI-SNVBAGLBSA-N 1 0 255.318 -1.397 20 30 CAEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001283744849 780860795 /nfs/dbraw/zinc/86/07/95/780860795.db2.gz NWSQSIQESORCFW-UWVGGRQHSA-N 1 0 298.343 -1.560 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1=CCOCC1 ZINC001283746751 780861224 /nfs/dbraw/zinc/86/12/24/780861224.db2.gz ZQBPHQAUNVQHDK-GFCCVEGCSA-N 1 0 295.339 -1.851 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)NC(N)=O ZINC001283755916 780861512 /nfs/dbraw/zinc/86/15/12/780861512.db2.gz KPBUGMFTAUZTLR-RKDXNWHRSA-N 1 0 258.322 -1.314 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccn(C)c1 ZINC001283745846 780861548 /nfs/dbraw/zinc/86/15/48/780861548.db2.gz UGOIRXDNNPMDFA-GFCCVEGCSA-N 1 0 292.339 -1.545 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CNC(=O)N1CCCC1 ZINC001283754694 780861660 /nfs/dbraw/zinc/86/16/60/780861660.db2.gz DHQPMVWZGIPCGS-NSHDSACASA-N 1 0 282.344 -1.508 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC1(F)F ZINC001283755511 780861865 /nfs/dbraw/zinc/86/18/65/780861865.db2.gz ILCCWUILXSJKQV-IUCAKERBSA-N 1 0 289.282 -1.542 20 30 CAEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)NC(N)=O ZINC001283755912 780862016 /nfs/dbraw/zinc/86/20/16/780862016.db2.gz KPBUGMFTAUZTLR-DTWKUNHWSA-N 1 0 258.322 -1.314 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283747316 780862154 /nfs/dbraw/zinc/86/21/54/780862154.db2.gz VJZIHOZTALGBPM-VHSXEESVSA-N 1 0 268.317 -1.555 20 30 CAEDRO C=CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)NC(N)=O ZINC001283755913 780862378 /nfs/dbraw/zinc/86/23/78/780862378.db2.gz KPBUGMFTAUZTLR-IUCAKERBSA-N 1 0 258.322 -1.314 20 30 CAEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCCC(=O)NC ZINC001283745801 780862479 /nfs/dbraw/zinc/86/24/79/780862479.db2.gz TVNXYSGIFJZZIV-LLVKDONJSA-N 1 0 269.345 -1.007 20 30 CAEDRO C=CCOCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCN(C)C1=O ZINC001283747613 780862499 /nfs/dbraw/zinc/86/24/99/780862499.db2.gz WXHGUPTXNMELBN-VXGBXAGGSA-N 1 0 299.371 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC1(F)F ZINC001283755512 780862567 /nfs/dbraw/zinc/86/25/67/780862567.db2.gz ILCCWUILXSJKQV-RKDXNWHRSA-N 1 0 289.282 -1.542 20 30 CAEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001283793735 780862845 /nfs/dbraw/zinc/86/28/45/780862845.db2.gz WLIVMAOMCAMGSA-ZJUUUORDSA-N 1 0 253.302 -1.693 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001283793730 780862909 /nfs/dbraw/zinc/86/29/09/780862909.db2.gz WLIVMAOMCAMGSA-UWVGGRQHSA-N 1 0 253.302 -1.693 20 30 CAEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001283764026 780863222 /nfs/dbraw/zinc/86/32/22/780863222.db2.gz JJCHZNDOCLOLEI-MNOVXSKESA-N 1 0 295.339 -1.386 20 30 CAEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCN1CC ZINC001283769519 780863328 /nfs/dbraw/zinc/86/33/28/780863328.db2.gz FATHJDULUZTHGC-CHWSQXEVSA-N 1 0 283.372 -1.203 20 30 CAEDRO O=C(C#CC1CC1)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001283756681 780863516 /nfs/dbraw/zinc/86/35/16/780863516.db2.gz OINXTIFXSMDITC-GFCCVEGCSA-N 1 0 294.355 -1.508 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001283770132 780863615 /nfs/dbraw/zinc/86/36/15/780863615.db2.gz JBUKJVSAKGUKGR-VIFPVBQESA-N 1 0 289.295 -1.023 20 30 CAEDRO C#CC[NH2+][C@H](CO)CNC(=O)CNS(=O)(=O)CC ZINC001283763172 780863733 /nfs/dbraw/zinc/86/37/33/780863733.db2.gz GMRLUUAZIGCJLZ-VIFPVBQESA-N 1 0 277.346 -2.374 20 30 CAEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCN1CC ZINC001283769522 780863857 /nfs/dbraw/zinc/86/38/57/780863857.db2.gz FATHJDULUZTHGC-STQMWFEESA-N 1 0 283.372 -1.203 20 30 CAEDRO C#CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001283757162 780864166 /nfs/dbraw/zinc/86/41/66/780864166.db2.gz QFQVRBLNXBFKNR-VXGBXAGGSA-N 1 0 297.355 -1.676 20 30 CAEDRO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001283756079 780864184 /nfs/dbraw/zinc/86/41/84/780864184.db2.gz LBUYZCGLUSXVSI-NEPJUHHUSA-N 1 0 270.329 -1.526 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135440769 781368775 /nfs/dbraw/zinc/36/87/75/781368775.db2.gz PVHLFYGFTWLSHD-UHFFFAOYSA-N 1 0 254.290 -1.180 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219324 781351804 /nfs/dbraw/zinc/35/18/04/781351804.db2.gz OTLPSFPHCNPYFP-JTQLQIEISA-N 1 0 280.328 -1.890 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135222854 781354395 /nfs/dbraw/zinc/35/43/95/781354395.db2.gz MNNXOJRXQYCVCF-VIFPVBQESA-N 1 0 281.316 -1.999 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135222276 781354710 /nfs/dbraw/zinc/35/47/10/781354710.db2.gz GEGRZJOXIIVONP-JTQLQIEISA-N 1 0 282.344 -1.337 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135231670 781355064 /nfs/dbraw/zinc/35/50/64/781355064.db2.gz KEPANHNJHAOTPY-MNOVXSKESA-N 1 0 294.355 -1.501 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135263271 781355580 /nfs/dbraw/zinc/35/55/80/781355580.db2.gz POWGXOZTLCZHGE-SNVBAGLBSA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135263270 781357260 /nfs/dbraw/zinc/35/72/60/781357260.db2.gz POWGXOZTLCZHGE-JTQLQIEISA-N 1 0 294.355 -1.644 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269077 781358816 /nfs/dbraw/zinc/35/88/16/781358816.db2.gz ISNWFGLROQJKMV-UHFFFAOYSA-N 1 0 251.286 -1.232 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135286898 781359688 /nfs/dbraw/zinc/35/96/88/781359688.db2.gz NJCOPFUFJTXVET-SECBINFHSA-N 1 0 278.316 -1.728 20 30 CAEDRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1 ZINC001135288263 781360460 /nfs/dbraw/zinc/36/04/60/781360460.db2.gz KKUOHHNRJAGQFZ-UHFFFAOYSA-N 1 0 265.277 -2.226 20 30 CAEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135343681 781361143 /nfs/dbraw/zinc/36/11/43/781361143.db2.gz FQGPQBXBGKTXAB-NXEZZACHSA-N 1 0 255.318 -1.006 20 30 CAEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(N)=O ZINC001135340651 781361496 /nfs/dbraw/zinc/36/14/96/781361496.db2.gz VIJHDIOIXSFNNG-HTQZYQBOSA-N 1 0 269.305 -2.016 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135340173 781362233 /nfs/dbraw/zinc/36/22/33/781362233.db2.gz OWNFQLINLGNHQO-IUCAKERBSA-N 1 0 270.333 -1.353 20 30 CAEDRO N#C[C@@H](Nc1ncccc1C(=O)N1CC[NH2+]CC1)C(N)=O ZINC001159466143 781362721 /nfs/dbraw/zinc/36/27/21/781362721.db2.gz AUJHATGJXOPZGA-SNVBAGLBSA-N 1 0 288.311 -1.084 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135349860 781363156 /nfs/dbraw/zinc/36/31/56/781363156.db2.gz GJYLPMMMIFXCEQ-UHFFFAOYSA-N 1 0 297.359 -1.946 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135350357 781363412 /nfs/dbraw/zinc/36/34/12/781363412.db2.gz SSFCXHMUQXRSJR-UHFFFAOYSA-N 1 0 296.371 -1.836 20 30 CAEDRO C=CC[NH2+]CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135387473 781364473 /nfs/dbraw/zinc/36/44/73/781364473.db2.gz QTGFQAXMGNOUBU-UHFFFAOYSA-N 1 0 266.301 -1.182 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384960 781364693 /nfs/dbraw/zinc/36/46/93/781364693.db2.gz QAZFFLJOGJPPGS-LLVKDONJSA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CC[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135387765 781365026 /nfs/dbraw/zinc/36/50/26/781365026.db2.gz WSHYDBPPLIBFRS-JTQLQIEISA-N 1 0 268.317 -1.904 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135391514 781365180 /nfs/dbraw/zinc/36/51/80/781365180.db2.gz WRSKYNZRRFYJON-UHFFFAOYSA-N 1 0 278.312 -1.344 20 30 CAEDRO Cc1n[nH]c(C)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135421004 781366342 /nfs/dbraw/zinc/36/63/42/781366342.db2.gz LGBBWZWOJKXCKG-UHFFFAOYSA-N 1 0 278.316 -1.014 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135444417 781366948 /nfs/dbraw/zinc/36/69/48/781366948.db2.gz SMSMOZINPCTZGA-UHFFFAOYSA-N 1 0 282.300 -2.106 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CNC(=O)C1CCOCC1 ZINC001135471678 781368622 /nfs/dbraw/zinc/36/86/22/781368622.db2.gz JOHUGDHLSSQNJI-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135448665 781368842 /nfs/dbraw/zinc/36/88/42/781368842.db2.gz ZRKIOBKZPYJUHC-UHFFFAOYSA-N 1 0 254.290 -1.180 20 30 CAEDRO C=C(Cl)C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135456585 781369004 /nfs/dbraw/zinc/36/90/04/781369004.db2.gz AWJZMBCZJWETDX-UHFFFAOYSA-N 1 0 274.708 -1.004 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccncn1 ZINC001135539533 781374529 /nfs/dbraw/zinc/37/45/29/781374529.db2.gz ZAHXKLSJQHTDQP-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135529377 781374548 /nfs/dbraw/zinc/37/45/48/781374548.db2.gz QCVMSPUYWNQVRT-MRVPVSSYSA-N 1 0 266.305 -1.185 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnon1 ZINC001135573449 781375391 /nfs/dbraw/zinc/37/53/91/781375391.db2.gz DZBWSDHQGNCMMY-UHFFFAOYSA-N 1 0 253.262 -1.309 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnon1 ZINC001135567347 781375979 /nfs/dbraw/zinc/37/59/79/781375979.db2.gz PKGCCARDPXSLBC-QMMMGPOBSA-N 1 0 265.273 -1.473 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccnn1 ZINC001135632056 781378269 /nfs/dbraw/zinc/37/82/69/781378269.db2.gz TXNHUGQPPVQKAY-JTQLQIEISA-N 1 0 275.312 -1.066 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cccnn1 ZINC001135640805 781378544 /nfs/dbraw/zinc/37/85/44/781378544.db2.gz DBLQDKZPVNQIFB-UHFFFAOYSA-N 1 0 262.273 -1.564 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccnn1 ZINC001135628582 781378665 /nfs/dbraw/zinc/37/86/65/781378665.db2.gz MPIMFEDCAHRGSB-UHFFFAOYSA-N 1 0 261.285 -1.455 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ncccn1 ZINC001135602268 781378858 /nfs/dbraw/zinc/37/88/58/781378858.db2.gz HUBJUJORTNZCKU-UHFFFAOYSA-N 1 0 261.285 -1.455 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncccn1 ZINC001135608874 781378882 /nfs/dbraw/zinc/37/88/82/781378882.db2.gz HGVLSPCALYIETF-SNVBAGLBSA-N 1 0 275.312 -1.066 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135702703 781381173 /nfs/dbraw/zinc/38/11/73/781381173.db2.gz NZCZHYAKGJZDNM-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135756415 781383251 /nfs/dbraw/zinc/38/32/51/781383251.db2.gz ZQGJDDDOHWAGFR-UHFFFAOYSA-N 1 0 263.301 -1.593 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001135783636 781386187 /nfs/dbraw/zinc/38/61/87/781386187.db2.gz SFMQKZFZRIQFJU-GHMZBOCLSA-N 1 0 267.329 -1.133 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135900149 781388026 /nfs/dbraw/zinc/38/80/26/781388026.db2.gz AJJVKZMWGHQOOV-UHFFFAOYSA-N 1 0 281.316 -2.142 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135906857 781388215 /nfs/dbraw/zinc/38/82/15/781388215.db2.gz GXROLVNCCFLJQW-UHFFFAOYSA-N 1 0 267.329 -1.132 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816275 781388356 /nfs/dbraw/zinc/38/83/56/781388356.db2.gz MYXDKASSUSXDJV-UHFFFAOYSA-N 1 0 293.327 -1.265 20 30 CAEDRO CCCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001135965823 781390369 /nfs/dbraw/zinc/39/03/69/781390369.db2.gz TXGKXJXXJLLKSA-UHFFFAOYSA-N 1 0 293.331 -1.353 20 30 CAEDRO CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001135999108 781391836 /nfs/dbraw/zinc/39/18/36/781391836.db2.gz YYGKHVAQENWGLA-UHFFFAOYSA-N 1 0 279.304 -1.743 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001135996984 781391346 /nfs/dbraw/zinc/39/13/46/781391346.db2.gz ZUPWESOYFHGURB-UHFFFAOYSA-N 1 0 280.332 -1.080 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136021794 781392079 /nfs/dbraw/zinc/39/20/79/781392079.db2.gz BZYMVMNBUAVVCR-UHFFFAOYSA-N 1 0 292.339 -1.011 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090527955 781394177 /nfs/dbraw/zinc/39/41/77/781394177.db2.gz FSFHYZCSMJVGHI-JQWIXIFHSA-N 1 0 290.323 -1.042 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090526935 781394690 /nfs/dbraw/zinc/39/46/90/781394690.db2.gz VSINCOSWDBQJAU-CMPLNLGQSA-N 1 0 290.323 -1.042 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090527959 781395097 /nfs/dbraw/zinc/39/50/97/781395097.db2.gz FSFHYZCSMJVGHI-ZYHUDNBSSA-N 1 0 290.323 -1.042 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001136122751 781395312 /nfs/dbraw/zinc/39/53/12/781395312.db2.gz FDLGMPRNJUBIRV-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090527957 781395567 /nfs/dbraw/zinc/39/55/67/781395567.db2.gz FSFHYZCSMJVGHI-PWSUYJOCSA-N 1 0 290.323 -1.042 20 30 CAEDRO C[NH+](C)CC#CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001170993808 781412879 /nfs/dbraw/zinc/41/28/79/781412879.db2.gz OVAQJYSYXOEXJR-UHFFFAOYSA-N 1 0 285.329 -1.648 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC001090641205 781415062 /nfs/dbraw/zinc/41/50/62/781415062.db2.gz ODWYTRMOPDOOCD-WDEREUQCSA-N 1 0 295.339 -1.223 20 30 CAEDRO C#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090654089 781417499 /nfs/dbraw/zinc/41/74/99/781417499.db2.gz FMDYIPFZSBLDKF-UWVGGRQHSA-N 1 0 294.311 -2.277 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090654182 781418161 /nfs/dbraw/zinc/41/81/61/781418161.db2.gz GAELHIFHOJRVFG-VHSXEESVSA-N 1 0 296.327 -1.724 20 30 CAEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090715266 781423878 /nfs/dbraw/zinc/42/38/78/781423878.db2.gz HOJAXVLIGMMWDB-MNOVXSKESA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171027486 781424893 /nfs/dbraw/zinc/42/48/93/781424893.db2.gz ZFMQBCKPMJLYIB-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090715268 781425650 /nfs/dbraw/zinc/42/56/50/781425650.db2.gz HOJAXVLIGMMWDB-QWRGUYRKSA-N 1 0 277.328 -1.078 20 30 CAEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001090708561 781425695 /nfs/dbraw/zinc/42/56/95/781425695.db2.gz VDEFVASBJBHUMR-QWRGUYRKSA-N 1 0 277.328 -1.078 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171047449 781428453 /nfs/dbraw/zinc/42/84/53/781428453.db2.gz WRJABKJJOMRHQW-UHFFFAOYSA-N 1 0 280.328 -1.000 20 30 CAEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001090797160 781434069 /nfs/dbraw/zinc/43/40/69/781434069.db2.gz VAFOVKXLCVXTLO-QWRGUYRKSA-N 1 0 295.339 -1.127 20 30 CAEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 ZINC001090797158 781434103 /nfs/dbraw/zinc/43/41/03/781434103.db2.gz VAFOVKXLCVXTLO-GHMZBOCLSA-N 1 0 295.339 -1.127 20 30 CAEDRO CN(CC(=O)N1CCN(CCC#N)CC1)C(N)=[NH2+] ZINC001144132279 781444485 /nfs/dbraw/zinc/44/44/85/781444485.db2.gz LPRMZQMPXOVSBO-UHFFFAOYSA-N 1 0 252.322 -1.130 20 30 CAEDRO CC(=O)N[C@@H](CS)C(=O)n1cc(C[NH3+])cnc1=N ZINC001144426840 781456182 /nfs/dbraw/zinc/45/61/82/781456182.db2.gz JGXCTODISLKNLZ-QMMMGPOBSA-N 1 0 269.330 -1.104 20 30 CAEDRO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CS)NC(C)=O ZINC001144426901 781456246 /nfs/dbraw/zinc/45/62/46/781456246.db2.gz LHYFIVRFFHSHGT-VIFPVBQESA-N 1 0 291.373 -1.229 20 30 CAEDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCC[C@H]1C#N ZINC001160638119 781457538 /nfs/dbraw/zinc/45/75/38/781457538.db2.gz WQQJTFCKIHDOLB-GUBZILKMSA-N 1 0 268.317 -1.285 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001091261114 781465241 /nfs/dbraw/zinc/46/52/41/781465241.db2.gz QNZIPFHAYDPBBN-RTBKNWGFSA-N 1 0 278.312 -1.298 20 30 CAEDRO C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001091370566 781476745 /nfs/dbraw/zinc/47/67/45/781476745.db2.gz ZXPHISXTBAXOFL-VQXHTEKXSA-N 1 0 285.369 -1.204 20 30 CAEDRO C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772515 781478482 /nfs/dbraw/zinc/47/84/82/781478482.db2.gz SYDJUSUWCHHNDT-LBPRGKRZSA-N 1 0 265.313 -1.155 20 30 CAEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 ZINC001149407720 781480830 /nfs/dbraw/zinc/48/08/30/781480830.db2.gz OFGMPCSYQQJTIJ-VHSXEESVSA-N 1 0 268.317 -1.162 20 30 CAEDRO C[C@H](C#N)C(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 ZINC001149407714 781481025 /nfs/dbraw/zinc/48/10/25/781481025.db2.gz OFGMPCSYQQJTIJ-NXEZZACHSA-N 1 0 268.317 -1.162 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146190794 781482394 /nfs/dbraw/zinc/48/23/94/781482394.db2.gz MLXYMIRRIIEYTE-UHFFFAOYSA-N 1 0 295.343 -1.313 20 30 CAEDRO N#C[C@@H]1COCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160933641 781483879 /nfs/dbraw/zinc/48/38/79/781483879.db2.gz MSKNYIZETFPEFE-ZJUUUORDSA-N 1 0 266.301 -1.932 20 30 CAEDRO COc1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001146542308 781484981 /nfs/dbraw/zinc/48/49/81/781484981.db2.gz JSXAZEQZOBTPHJ-UHFFFAOYSA-N 1 0 292.299 -1.556 20 30 CAEDRO Cc1cnoc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146495251 781485246 /nfs/dbraw/zinc/48/52/46/781485246.db2.gz XZZXJDRDHLNARV-UHFFFAOYSA-N 1 0 265.273 -1.058 20 30 CAEDRO Cc1cc(=O)c(C(=O)NCC[NH2+]CC(=O)NCC#N)c[nH]1 ZINC001146528994 781485324 /nfs/dbraw/zinc/48/53/24/781485324.db2.gz UFESKUOGDZYDRM-UHFFFAOYSA-N 1 0 291.311 -1.358 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C)cc1=O ZINC001146528924 781485920 /nfs/dbraw/zinc/48/59/20/781485920.db2.gz SYYKKTWIHUWOFR-UHFFFAOYSA-N 1 0 290.323 -1.248 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146637350 781490195 /nfs/dbraw/zinc/49/01/95/781490195.db2.gz QRJMGJGJCWOHMD-ZJUUUORDSA-N 1 0 292.343 -1.117 20 30 CAEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146637338 781490329 /nfs/dbraw/zinc/49/03/29/781490329.db2.gz QRJMGJGJCWOHMD-NXEZZACHSA-N 1 0 292.343 -1.117 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(OC)nn1 ZINC001146667932 781490594 /nfs/dbraw/zinc/49/05/94/781490594.db2.gz ABWHJSWJROZFTM-UHFFFAOYSA-N 1 0 291.311 -1.446 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146870309 781492806 /nfs/dbraw/zinc/49/28/06/781492806.db2.gz ZRXSOFIPRQSDFI-UHFFFAOYSA-N 1 0 252.274 -1.733 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879223 781494034 /nfs/dbraw/zinc/49/40/34/781494034.db2.gz WLVUKUOTGQBXKF-UHFFFAOYSA-N 1 0 298.343 -1.163 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001147003028 781497776 /nfs/dbraw/zinc/49/77/76/781497776.db2.gz CCVWNTXBOADCMV-MFKMUULPSA-N 1 0 280.328 -1.241 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001147009284 781499480 /nfs/dbraw/zinc/49/94/80/781499480.db2.gz GUTIRQXSJRCITN-BXUZGUMPSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001147009287 781499535 /nfs/dbraw/zinc/49/95/35/781499535.db2.gz GUTIRQXSJRCITN-SMDDNHRTSA-N 1 0 279.340 -1.132 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001147009285 781499559 /nfs/dbraw/zinc/49/95/59/781499559.db2.gz GUTIRQXSJRCITN-FZMZJTMJSA-N 1 0 279.340 -1.132 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCCCC(N)=O ZINC001147118799 781499975 /nfs/dbraw/zinc/49/99/75/781499975.db2.gz BTYIGRPYLOWMGC-UHFFFAOYSA-N 1 0 283.332 -1.622 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCCCOC ZINC001147061716 781500715 /nfs/dbraw/zinc/50/07/15/781500715.db2.gz GRQXFOXVMACIAV-UHFFFAOYSA-N 1 0 285.344 -1.505 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147056209 781500831 /nfs/dbraw/zinc/50/08/31/781500831.db2.gz OMHUMKOYFOMKQX-JTQLQIEISA-N 1 0 293.331 -2.093 20 30 CAEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001147055945 781501069 /nfs/dbraw/zinc/50/10/69/781501069.db2.gz FFBINQNDUPQQOO-JTQLQIEISA-N 1 0 295.347 -1.540 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCOCCCOC ZINC001147070162 781501124 /nfs/dbraw/zinc/50/11/24/781501124.db2.gz WZVMHJIHTJCDJN-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCCC(N)=O ZINC001147150288 781503258 /nfs/dbraw/zinc/50/32/58/781503258.db2.gz USPYPKASMNFDKG-NSHDSACASA-N 1 0 296.371 -1.124 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147175858 781504006 /nfs/dbraw/zinc/50/40/06/781504006.db2.gz LPHSBNZSNXSUNJ-NSHDSACASA-N 1 0 294.355 -1.690 20 30 CAEDRO CN(C)C(=O)C1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001147301255 781504205 /nfs/dbraw/zinc/50/42/05/781504205.db2.gz QEAPZFQNODQDPG-UHFFFAOYSA-N 1 0 295.343 -1.800 20 30 CAEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2nc[nH]n2)C1=O ZINC001147264606 781505440 /nfs/dbraw/zinc/50/54/40/781505440.db2.gz LLACHUGHNQRBBM-SNVBAGLBSA-N 1 0 292.343 -1.160 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147263940 781505667 /nfs/dbraw/zinc/50/56/67/781505667.db2.gz BQZWEDLCYGIXCI-UHFFFAOYSA-N 1 0 264.289 -2.198 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271534 781505693 /nfs/dbraw/zinc/50/56/93/781505693.db2.gz HTOANFMHEPTWGX-VIFPVBQESA-N 1 0 278.316 -1.809 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1nc[nH]n1 ZINC001147271820 781506619 /nfs/dbraw/zinc/50/66/19/781506619.db2.gz UGBMSJWQJRJDOS-UHFFFAOYSA-N 1 0 266.305 -1.645 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364374 781508988 /nfs/dbraw/zinc/50/89/88/781508988.db2.gz SGZMHKHMPFILLH-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001147364005 781509164 /nfs/dbraw/zinc/50/91/64/781509164.db2.gz OMHUMKOYFOMKQX-SNVBAGLBSA-N 1 0 293.331 -2.093 20 30 CAEDRO CCn1cc(CC(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001147369402 781509385 /nfs/dbraw/zinc/50/93/85/781509385.db2.gz SSRSVZIFBNXCEE-UHFFFAOYSA-N 1 0 292.343 -1.209 20 30 CAEDRO COCc1nocc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147552046 781512901 /nfs/dbraw/zinc/51/29/01/781512901.db2.gz XIMYNWHBWNWRQK-UHFFFAOYSA-N 1 0 295.299 -1.220 20 30 CAEDRO C#CC[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147671783 781516709 /nfs/dbraw/zinc/51/67/09/781516709.db2.gz SXMQZVKPNNHOAP-UHFFFAOYSA-N 1 0 252.274 -1.781 20 30 CAEDRO C=CC[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147705015 781518678 /nfs/dbraw/zinc/51/86/78/781518678.db2.gz CKMYPSBNIPKMCO-UHFFFAOYSA-N 1 0 262.273 -1.077 20 30 CAEDRO C#CC[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147706285 781520163 /nfs/dbraw/zinc/52/01/63/781520163.db2.gz UWARQLKUVMIMPI-UHFFFAOYSA-N 1 0 260.257 -1.630 20 30 CAEDRO C#CCC[NH2+]CCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001147712364 781520265 /nfs/dbraw/zinc/52/02/65/781520265.db2.gz QEQJADYATURXBS-UHFFFAOYSA-N 1 0 274.284 -1.240 20 30 CAEDRO Cn1cncc1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147900131 781524899 /nfs/dbraw/zinc/52/48/99/781524899.db2.gz ILLHYVOLUADMCX-UHFFFAOYSA-N 1 0 278.316 -1.692 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC)cn1 ZINC001148033176 781526072 /nfs/dbraw/zinc/52/60/72/781526072.db2.gz GVPHTDJYDJSZDV-UHFFFAOYSA-N 1 0 277.328 -1.028 20 30 CAEDRO CCn1cnc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001148044752 781527013 /nfs/dbraw/zinc/52/70/13/781527013.db2.gz XDHVKCMJNBKGRY-UHFFFAOYSA-N 1 0 278.316 -1.138 20 30 CAEDRO COCC#CC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199695 781527946 /nfs/dbraw/zinc/52/79/46/781527946.db2.gz PVOPAQCFMCIWBC-UHFFFAOYSA-N 1 0 265.313 -1.344 20 30 CAEDRO CCCNC(=O)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148198249 781528894 /nfs/dbraw/zinc/52/88/94/781528894.db2.gz MRUOGUZXXZIBHC-UHFFFAOYSA-N 1 0 297.359 -1.362 20 30 CAEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181775 781529075 /nfs/dbraw/zinc/52/90/75/781529075.db2.gz TWZJYRQKKJAVBW-JTQLQIEISA-N 1 0 292.339 -1.856 20 30 CAEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)nc1 ZINC001148370187 781532563 /nfs/dbraw/zinc/53/25/63/781532563.db2.gz MGIHVLOEVDQOBW-UHFFFAOYSA-N 1 0 289.295 -1.423 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148427274 781534070 /nfs/dbraw/zinc/53/40/70/781534070.db2.gz MWWAHDCDQDNGMZ-UWVGGRQHSA-N 1 0 280.328 -1.891 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148431447 781534494 /nfs/dbraw/zinc/53/44/94/781534494.db2.gz DJKTZAGRFKOPKR-ZJUUUORDSA-N 1 0 282.344 -1.339 20 30 CAEDRO CN(CCO)C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001161108776 781534963 /nfs/dbraw/zinc/53/49/63/781534963.db2.gz HCBKVIXYHUECQU-SFYZADRCSA-N 1 0 266.319 -1.856 20 30 CAEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148422616 781535560 /nfs/dbraw/zinc/53/55/60/781535560.db2.gz LFBHPTGOOALLKA-QWRGUYRKSA-N 1 0 294.355 -1.242 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149455115 781537577 /nfs/dbraw/zinc/53/75/77/781537577.db2.gz DYUJRYJMMDJSBS-NSHDSACASA-N 1 0 294.355 -1.548 20 30 CAEDRO CN1C(=O)CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149456449 781538487 /nfs/dbraw/zinc/53/84/87/781538487.db2.gz YQVJIMNFILICNI-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO C[NH+](C)CCOCC(=O)NCCNc1ccnc(C#N)n1 ZINC001093750256 781560563 /nfs/dbraw/zinc/56/05/63/781560563.db2.gz SHSCULYGIWBGOE-UHFFFAOYSA-N 1 0 292.343 -1.124 20 30 CAEDRO C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094780318 781570884 /nfs/dbraw/zinc/57/08/84/781570884.db2.gz XXYMMKIFQUORLL-SNVBAGLBSA-N 1 0 294.355 -1.161 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171620560 781571216 /nfs/dbraw/zinc/57/12/16/781571216.db2.gz CAXQFPVGXJBNSY-QWRGUYRKSA-N 1 0 294.355 -1.501 20 30 CAEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171621171 781572783 /nfs/dbraw/zinc/57/27/83/781572783.db2.gz QJMVAACPRZHVOF-JTQLQIEISA-N 1 0 282.344 -1.337 20 30 CAEDRO O=C[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172231472 781576583 /nfs/dbraw/zinc/57/65/83/781576583.db2.gz TXMVUZVJBBALBM-HFUOMJJMSA-N 1 0 287.312 -2.296 20 30 CAEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172483902 781577122 /nfs/dbraw/zinc/57/71/22/781577122.db2.gz WAYPKFADKLKUJP-PREPNJAASA-N 1 0 274.317 -1.699 20 30 CAEDRO C[C@H](CCCC#N)[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172488714 781577493 /nfs/dbraw/zinc/57/74/93/781577493.db2.gz MTCBHVVQXXSASK-ZKSVUJDCSA-N 1 0 274.317 -1.542 20 30 CAEDRO CC[C@H]1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001173268606 781578924 /nfs/dbraw/zinc/57/89/24/781578924.db2.gz YWQDEPPCOZXBLY-MJYBNVITSA-N 1 0 275.345 -1.203 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cncn1 ZINC001150244054 781582008 /nfs/dbraw/zinc/58/20/08/781582008.db2.gz SVNGICPAMWDFOY-UHFFFAOYSA-N 1 0 264.289 -2.267 20 30 CAEDRO CC#CC[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150356276 781583633 /nfs/dbraw/zinc/58/36/33/781583633.db2.gz PJFPYUIPMVZFKJ-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C ZINC001174919390 781586193 /nfs/dbraw/zinc/58/61/93/781586193.db2.gz LIOYDSGWTITDTH-UHFFFAOYSA-N 1 0 261.347 -1.393 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)CCNC(N)=O ZINC001150423476 781586926 /nfs/dbraw/zinc/58/69/26/781586926.db2.gz HDGBDYBASGPZNM-UHFFFAOYSA-N 1 0 258.322 -1.047 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175012118 781587883 /nfs/dbraw/zinc/58/78/83/781587883.db2.gz WJGDBEHTZYLWJY-UHFFFAOYSA-N 1 0 265.317 -1.381 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001174980858 781587950 /nfs/dbraw/zinc/58/79/50/781587950.db2.gz XPKKUQMWDHTCDA-GFCCVEGCSA-N 1 0 267.329 -1.037 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175013462 781588127 /nfs/dbraw/zinc/58/81/27/781588127.db2.gz KCTPRDFYCWWXOS-SNVBAGLBSA-N 1 0 282.344 -1.514 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175033299 781589162 /nfs/dbraw/zinc/58/91/62/781589162.db2.gz MJOMDVDFUWPXKH-QWRGUYRKSA-N 1 0 296.371 -1.126 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175033298 781589410 /nfs/dbraw/zinc/58/94/10/781589410.db2.gz MJOMDVDFUWPXKH-MNOVXSKESA-N 1 0 296.371 -1.126 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175548986 781591541 /nfs/dbraw/zinc/59/15/41/781591541.db2.gz AEFXMXJNTCBIPJ-UHFFFAOYSA-N 1 0 266.301 -1.343 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001175549190 781592197 /nfs/dbraw/zinc/59/21/97/781592197.db2.gz GBSYXSKUAXFTLT-UHFFFAOYSA-N 1 0 266.301 -1.391 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175567064 781593254 /nfs/dbraw/zinc/59/32/54/781593254.db2.gz HSLUUSQNCQEIGH-UHFFFAOYSA-N 1 0 296.327 -1.716 20 30 CAEDRO COCC#CC[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175574904 781593412 /nfs/dbraw/zinc/59/34/12/781593412.db2.gz GXCLGWMTMYNSHM-UHFFFAOYSA-N 1 0 270.333 -1.210 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175636452 781594477 /nfs/dbraw/zinc/59/44/77/781594477.db2.gz XLGSUXROZPUAAW-SNVBAGLBSA-N 1 0 299.375 -1.169 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCNC(N)=O ZINC001175634852 781594598 /nfs/dbraw/zinc/59/45/98/781594598.db2.gz FQBZKBKGAQKVNS-JTQLQIEISA-N 1 0 297.359 -1.721 20 30 CAEDRO Cn1ccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001176081127 781598243 /nfs/dbraw/zinc/59/82/43/781598243.db2.gz PCVIPAPYNVMNPV-UHFFFAOYSA-N 1 0 278.316 -1.231 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176276962 781599083 /nfs/dbraw/zinc/59/90/83/781599083.db2.gz GBSWBLBYEJEEBT-VIFPVBQESA-N 1 0 259.331 -1.593 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176287224 781599226 /nfs/dbraw/zinc/59/92/26/781599226.db2.gz AQODAXUJFFXICB-SNVBAGLBSA-N 1 0 273.358 -1.203 20 30 CAEDRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CC#CCOC ZINC001176336442 781601054 /nfs/dbraw/zinc/60/10/54/781601054.db2.gz NFIDLPPGJRPCQD-UHFFFAOYSA-N 1 0 291.373 -1.719 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176336509 781601300 /nfs/dbraw/zinc/60/13/00/781601300.db2.gz OIECHWRRKWBBIC-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO CC#CC[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176350087 781602001 /nfs/dbraw/zinc/60/20/01/781602001.db2.gz WOFUVVFGGKUJNO-UHFFFAOYSA-N 1 0 261.347 -1.345 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)CCS(=O)(=O)N(C)C ZINC001176817755 781606644 /nfs/dbraw/zinc/60/66/44/781606644.db2.gz MURXWMZNRCXJJA-UHFFFAOYSA-N 1 0 275.374 -1.003 20 30 CAEDRO C#CCC[NH2+]CCCNC(=O)CNC(=O)Cn1cncn1 ZINC001176894727 781610961 /nfs/dbraw/zinc/61/09/61/781610961.db2.gz XRXAPLRBUBASPP-UHFFFAOYSA-N 1 0 292.343 -1.487 20 30 CAEDRO C#CC[NH2+]CCCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001176972371 781612748 /nfs/dbraw/zinc/61/27/48/781612748.db2.gz YKQAJUYEFBGNHT-UHFFFAOYSA-N 1 0 292.343 -1.291 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCOCCOC ZINC001177300384 781617881 /nfs/dbraw/zinc/61/78/81/781617881.db2.gz CHHJZCIFAIWIGH-UHFFFAOYSA-N 1 0 299.371 -1.115 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1ccnc1 ZINC001177401294 781619617 /nfs/dbraw/zinc/61/96/17/781619617.db2.gz UBJVQFVMFHZXEV-UHFFFAOYSA-N 1 0 277.328 -1.272 20 30 CAEDRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001177973356 781627598 /nfs/dbraw/zinc/62/75/98/781627598.db2.gz RWNCWGOWLQUMMG-UWVGGRQHSA-N 1 0 268.317 -1.148 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178087828 781631386 /nfs/dbraw/zinc/63/13/86/781631386.db2.gz APSCEBJEXSDDDD-UWVGGRQHSA-N 1 0 297.359 -1.464 20 30 CAEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CNC(N)=O ZINC001178093895 781631784 /nfs/dbraw/zinc/63/17/84/781631784.db2.gz SGPKMQKMLQQYNJ-IUCAKERBSA-N 1 0 296.331 -2.127 20 30 CAEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178350781 781632857 /nfs/dbraw/zinc/63/28/57/781632857.db2.gz ATQBOFDCMXMCFS-VGMNWLOBSA-N 1 0 281.316 -1.080 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178350780 781633452 /nfs/dbraw/zinc/63/34/52/781633452.db2.gz ATQBOFDCMXMCFS-CIUDSAMLSA-N 1 0 281.316 -1.080 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001178508355 781634180 /nfs/dbraw/zinc/63/41/80/781634180.db2.gz ACHTVYIXWWHONV-VWYCJHECSA-N 1 0 294.355 -1.421 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178396295 781634219 /nfs/dbraw/zinc/63/42/19/781634219.db2.gz ZOUHZYMHVJCVST-UWVGGRQHSA-N 1 0 282.344 -1.257 20 30 CAEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715484 781637630 /nfs/dbraw/zinc/63/76/30/781637630.db2.gz AZSLACXPILPULD-RYUDHWBXSA-N 1 0 292.343 -1.098 20 30 CAEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CNC(=O)C(C)(C)C ZINC001150828920 781639632 /nfs/dbraw/zinc/63/96/32/781639632.db2.gz ICCUJGSYKACJER-UHFFFAOYSA-N 1 0 296.371 -1.396 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179446719 781649440 /nfs/dbraw/zinc/64/94/40/781649440.db2.gz AVOFRIHELJIDJA-NSHDSACASA-N 1 0 296.371 -1.124 20 30 CAEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452297 781649637 /nfs/dbraw/zinc/64/96/37/781649637.db2.gz QXQUVXMQRWXNTE-UTLUCORTSA-N 1 0 282.344 -1.259 20 30 CAEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452295 781649712 /nfs/dbraw/zinc/64/97/12/781649712.db2.gz QXQUVXMQRWXNTE-GUBZILKMSA-N 1 0 282.344 -1.259 20 30 CAEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667322 781652880 /nfs/dbraw/zinc/65/28/80/781652880.db2.gz ZOBRHUDQOSZDOD-DLOVCJGASA-N 1 0 294.355 -1.421 20 30 CAEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COC)C1 ZINC001180539736 781666139 /nfs/dbraw/zinc/66/61/39/781666139.db2.gz UJETVJIPBALWHQ-GHMZBOCLSA-N 1 0 267.329 -1.039 20 30 CAEDRO N#C[C@H](NC(=O)CC[NH+]1CCC(C(N)=O)CC1)C(N)=O ZINC001180612753 781669499 /nfs/dbraw/zinc/66/94/99/781669499.db2.gz GXLDUWAXRHWJHI-VIFPVBQESA-N 1 0 281.316 -1.933 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCOC)C1 ZINC001180593602 781669573 /nfs/dbraw/zinc/66/95/73/781669573.db2.gz QJVWPHQYESYZJQ-LLVKDONJSA-N 1 0 267.329 -1.037 20 30 CAEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC)C1 ZINC001180570939 781669670 /nfs/dbraw/zinc/66/96/70/781669670.db2.gz TYQWRIGAJSNPAC-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO N#C[C@@H]1CNCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180607206 781671822 /nfs/dbraw/zinc/67/18/22/781671822.db2.gz NDYHGXHCLMQQPW-GFCCVEGCSA-N 1 0 293.371 -1.102 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180708112 781674201 /nfs/dbraw/zinc/67/42/01/781674201.db2.gz YLYUOFASKWZCGH-LLVKDONJSA-N 1 0 280.328 -1.938 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001180766215 781677947 /nfs/dbraw/zinc/67/79/47/781677947.db2.gz LRYBOSLNVHLJTD-LLVKDONJSA-N 1 0 293.323 -1.186 20 30 CAEDRO CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180780047 781678435 /nfs/dbraw/zinc/67/84/35/781678435.db2.gz DOQFKGKPDRBDAJ-SNVBAGLBSA-N 1 0 268.317 -1.147 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180854958 781681023 /nfs/dbraw/zinc/68/10/23/781681023.db2.gz FFJSCPZIOFMTNA-SNVBAGLBSA-N 1 0 293.331 -1.834 20 30 CAEDRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001180870563 781681049 /nfs/dbraw/zinc/68/10/49/781681049.db2.gz IBPCWYMYSOCUGW-LLVKDONJSA-N 1 0 290.327 -1.136 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897980 781683678 /nfs/dbraw/zinc/68/36/78/781683678.db2.gz ZEMDTSJWFHXZFW-SECBINFHSA-N 1 0 283.332 -1.853 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001180958701 781684190 /nfs/dbraw/zinc/68/41/90/781684190.db2.gz MPAZSZXQGFUAFE-GFCCVEGCSA-N 1 0 289.339 -1.177 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181076620 781686749 /nfs/dbraw/zinc/68/67/49/781686749.db2.gz RQCNZACVGVSCBU-VXGBXAGGSA-N 1 0 297.355 -1.106 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181131687 781687781 /nfs/dbraw/zinc/68/77/81/781687781.db2.gz XKJDXNGQTGGKIJ-GFCCVEGCSA-N 1 0 294.355 -1.595 20 30 CAEDRO CO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181310399 781691476 /nfs/dbraw/zinc/69/14/76/781691476.db2.gz WFFZHBPORLIDCI-VHSXEESVSA-N 1 0 268.317 -1.148 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181294484 781691537 /nfs/dbraw/zinc/69/15/37/781691537.db2.gz FYXNWZNSDMVWKQ-SNVBAGLBSA-N 1 0 296.327 -1.718 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181336955 781692249 /nfs/dbraw/zinc/69/22/49/781692249.db2.gz OJFHGVSRPZJFRD-LLVKDONJSA-N 1 0 288.369 -1.129 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001181470069 781694549 /nfs/dbraw/zinc/69/45/49/781694549.db2.gz ZNAJKUBOAHEYCV-WDEREUQCSA-N 1 0 280.328 -1.147 20 30 CAEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001181644497 781695768 /nfs/dbraw/zinc/69/57/68/781695768.db2.gz PQDDRMZWCNXIEP-SNVBAGLBSA-N 1 0 298.343 -1.165 20 30 CAEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001181600259 781695856 /nfs/dbraw/zinc/69/58/56/781695856.db2.gz YLQPRBNIRLPGHK-VHSXEESVSA-N 1 0 298.343 -1.037 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181600298 781696054 /nfs/dbraw/zinc/69/60/54/781696054.db2.gz YXMHGAYYDWMGET-GHMZBOCLSA-N 1 0 294.355 -1.242 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181652074 781697461 /nfs/dbraw/zinc/69/74/61/781697461.db2.gz IELHQQDLXXJRHG-VHSXEESVSA-N 1 0 263.301 -1.024 20 30 CAEDRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001181652714 781697600 /nfs/dbraw/zinc/69/76/00/781697600.db2.gz OWVROUXMNPXCFD-DTWKUNHWSA-N 1 0 281.316 -1.208 20 30 CAEDRO CCC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181674250 781697850 /nfs/dbraw/zinc/69/78/50/781697850.db2.gz NBOGVQVRNYOTNH-SNVBAGLBSA-N 1 0 295.343 -1.657 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760594 781699228 /nfs/dbraw/zinc/69/92/28/781699228.db2.gz OWEHTPFQFRWXOO-SECBINFHSA-N 1 0 266.301 -2.198 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181769432 781700051 /nfs/dbraw/zinc/70/00/51/781700051.db2.gz OFMOIKGAVKRPHI-VHSXEESVSA-N 1 0 280.328 -1.810 20 30 CAEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(C)n1 ZINC001151084665 781708499 /nfs/dbraw/zinc/70/84/99/781708499.db2.gz QMLUXKXMKCTKFG-JTQLQIEISA-N 1 0 277.328 -1.123 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC)C1 ZINC001182144942 781712558 /nfs/dbraw/zinc/71/25/58/781712558.db2.gz CRGHYUOZKYIKCP-LLVKDONJSA-N 1 0 294.355 -1.548 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001182145264 781712586 /nfs/dbraw/zinc/71/25/86/781712586.db2.gz LBPUGGXKAOAQIB-SNVBAGLBSA-N 1 0 253.302 -1.691 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194707 781715087 /nfs/dbraw/zinc/71/50/87/781715087.db2.gz LUULNANZJRRJIS-WDEREUQCSA-N 1 0 282.344 -1.117 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182260219 781715834 /nfs/dbraw/zinc/71/58/34/781715834.db2.gz XYCHUZZLNXQVNO-BDAKNGLRSA-N 1 0 295.299 -2.075 20 30 CAEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001182214624 781715929 /nfs/dbraw/zinc/71/59/29/781715929.db2.gz CMHLYDYHFZFCOE-SKDRFNHKSA-N 1 0 255.318 -1.011 20 30 CAEDRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001182302309 781716326 /nfs/dbraw/zinc/71/63/26/781716326.db2.gz CQVSLPISUFWLKD-SECBINFHSA-N 1 0 291.315 -1.741 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182195436 781716557 /nfs/dbraw/zinc/71/65/57/781716557.db2.gz WXRWHCRJETUKQW-VHSXEESVSA-N 1 0 295.343 -2.017 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182266873 781716600 /nfs/dbraw/zinc/71/66/00/781716600.db2.gz IRUGWBSUIVBLGX-SNVBAGLBSA-N 1 0 292.343 -1.079 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001182296125 781717902 /nfs/dbraw/zinc/71/79/02/781717902.db2.gz SOWSVMLOJGLSJE-DGCLKSJQSA-N 1 0 281.356 -1.057 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303470 781718286 /nfs/dbraw/zinc/71/82/86/781718286.db2.gz XSKGQJYWFHLMSG-SNVBAGLBSA-N 1 0 292.343 -1.079 20 30 CAEDRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182390074 781721691 /nfs/dbraw/zinc/72/16/91/781721691.db2.gz YHBBLXJHXACETR-SNVBAGLBSA-N 1 0 278.312 -1.215 20 30 CAEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174032 781722194 /nfs/dbraw/zinc/72/21/94/781722194.db2.gz MBJYEWPCPDEKAV-UHFFFAOYSA-N 1 0 292.299 -1.927 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623062 781723940 /nfs/dbraw/zinc/72/39/40/781723940.db2.gz DGDKEHDJCVHQDL-SECBINFHSA-N 1 0 292.303 -2.497 20 30 CAEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182496544 781724207 /nfs/dbraw/zinc/72/42/07/781724207.db2.gz NVBVRLXRBDZGOT-SNVBAGLBSA-N 1 0 296.327 -1.588 20 30 CAEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001182504916 781724454 /nfs/dbraw/zinc/72/44/54/781724454.db2.gz NVHPGHFVQZVHMF-NXEZZACHSA-N 1 0 253.302 -1.300 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCOCC#C)C1 ZINC001182496751 781724734 /nfs/dbraw/zinc/72/47/34/781724734.db2.gz PRHQWJOOTNYJCQ-CYBMUJFWSA-N 1 0 291.351 -1.034 20 30 CAEDRO Cc1nc(C(=O)NCC#CC[NH+](C)C)nn1-c1nc[nH]n1 ZINC001151242451 781724804 /nfs/dbraw/zinc/72/48/04/781724804.db2.gz PZCPQQQEBYRLQR-UHFFFAOYSA-N 1 0 288.315 -1.011 20 30 CAEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001182504917 781725219 /nfs/dbraw/zinc/72/52/19/781725219.db2.gz NVHPGHFVQZVHMF-VHSXEESVSA-N 1 0 253.302 -1.300 20 30 CAEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300441 781732161 /nfs/dbraw/zinc/73/21/61/781732161.db2.gz MDEIBJAYLBGLCY-JTQLQIEISA-N 1 0 291.373 -1.414 20 30 CAEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151301043 781732178 /nfs/dbraw/zinc/73/21/78/781732178.db2.gz QPAUWHNHGTZRHR-VIFPVBQESA-N 1 0 261.347 -1.040 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182991896 781732875 /nfs/dbraw/zinc/73/28/75/781732875.db2.gz LUGPYLKVCRBLIQ-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001183014825 781734150 /nfs/dbraw/zinc/73/41/50/781734150.db2.gz DPVPVQGWCQXABH-SNVBAGLBSA-N 1 0 273.358 -1.251 20 30 CAEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183354107 781742488 /nfs/dbraw/zinc/74/24/88/781742488.db2.gz PWOIEMXOMDFIAH-ZJUUUORDSA-N 1 0 278.312 -1.202 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183422003 781743138 /nfs/dbraw/zinc/74/31/38/781743138.db2.gz NFRWTEVJFXFPKK-SNVBAGLBSA-N 1 0 296.371 -1.009 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001183701168 781750726 /nfs/dbraw/zinc/75/07/26/781750726.db2.gz UCDONKOKRAGRNE-LLVKDONJSA-N 1 0 288.369 -1.129 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183720872 781753723 /nfs/dbraw/zinc/75/37/23/781753723.db2.gz ADRARWUJYQUEPJ-LLVKDONJSA-N 1 0 282.344 -1.385 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722335 781754321 /nfs/dbraw/zinc/75/43/21/781754321.db2.gz QLWMNABHBFZSTM-LLVKDONJSA-N 1 0 280.328 -1.938 20 30 CAEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183732359 781757284 /nfs/dbraw/zinc/75/72/84/781757284.db2.gz WROLVRUPDUTYNB-QWRGUYRKSA-N 1 0 294.355 -1.242 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183792727 781758564 /nfs/dbraw/zinc/75/85/64/781758564.db2.gz DQXNWNZDMFBUMP-LLVKDONJSA-N 1 0 277.328 -1.204 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183912945 781759301 /nfs/dbraw/zinc/75/93/01/781759301.db2.gz QCGGACGZPFECNQ-SECBINFHSA-N 1 0 278.316 -1.089 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183911935 781759926 /nfs/dbraw/zinc/75/99/26/781759926.db2.gz CPGLGIKXDUUXAJ-MRVPVSSYSA-N 1 0 277.288 -1.751 20 30 CAEDRO CNS(=O)(=O)CC(=O)NCC[NH2+]CC#CCOC ZINC001151379874 781760753 /nfs/dbraw/zinc/76/07/53/781760753.db2.gz WFLTVLZAJCFLQU-UHFFFAOYSA-N 1 0 277.346 -2.109 20 30 CAEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001184619509 781769639 /nfs/dbraw/zinc/76/96/39/781769639.db2.gz WPJODSHWKLXWMU-SNVBAGLBSA-N 1 0 290.389 -1.193 20 30 CAEDRO Cc1n[nH]nc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184777827 781770037 /nfs/dbraw/zinc/77/00/37/781770037.db2.gz DKYIOIJAZXGCQT-SECBINFHSA-N 1 0 291.315 -1.443 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184843056 781771163 /nfs/dbraw/zinc/77/11/63/781771163.db2.gz XUZGWZDTLBMIRZ-NEPJUHHUSA-N 1 0 294.355 -1.150 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924076 781771243 /nfs/dbraw/zinc/77/12/43/781771243.db2.gz GUDUCVQMAGOYEZ-SECBINFHSA-N 1 0 291.315 -2.236 20 30 CAEDRO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184840497 781771911 /nfs/dbraw/zinc/77/19/11/781771911.db2.gz CJHXOBJFLKXMDQ-VHSXEESVSA-N 1 0 295.343 -1.672 20 30 CAEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185040641 781772581 /nfs/dbraw/zinc/77/25/81/781772581.db2.gz PUVBZTNVQTVASF-MNOVXSKESA-N 1 0 294.355 -1.705 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001185136550 781774281 /nfs/dbraw/zinc/77/42/81/781774281.db2.gz HPRZVAVLSIOEEQ-ZWNOBZJWSA-N 1 0 298.318 -1.055 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC001185256545 781776139 /nfs/dbraw/zinc/77/61/39/781776139.db2.gz DUQRPESPHLARHH-MNOVXSKESA-N 1 0 252.318 -1.017 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCNC[C@@H]1C#N ZINC001185244230 781776923 /nfs/dbraw/zinc/77/69/23/781776923.db2.gz JISLJPLLNYVQDB-QWRGUYRKSA-N 1 0 251.334 -1.444 20 30 CAEDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC001185256550 781777355 /nfs/dbraw/zinc/77/73/55/781777355.db2.gz DUQRPESPHLARHH-WDEREUQCSA-N 1 0 252.318 -1.017 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCNC[C@H]1C#N ZINC001185244229 781777434 /nfs/dbraw/zinc/77/74/34/781777434.db2.gz JISLJPLLNYVQDB-MNOVXSKESA-N 1 0 251.334 -1.444 20 30 CAEDRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCOC[C@@H]1C#N ZINC001185258707 781780242 /nfs/dbraw/zinc/78/02/42/781780242.db2.gz YOUCGVOTYGRAGO-QWRGUYRKSA-N 1 0 252.318 -1.017 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185265644 781781338 /nfs/dbraw/zinc/78/13/38/781781338.db2.gz RROXTGIKCUBDAF-GHMZBOCLSA-N 1 0 280.328 -1.492 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185267756 781782386 /nfs/dbraw/zinc/78/23/86/781782386.db2.gz WDANHAAFEBMORP-ZJUUUORDSA-N 1 0 268.317 -1.196 20 30 CAEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185267623 781782667 /nfs/dbraw/zinc/78/26/67/781782667.db2.gz WDANHAAFEBMORP-NXEZZACHSA-N 1 0 268.317 -1.196 20 30 CAEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185335046 781786044 /nfs/dbraw/zinc/78/60/44/781786044.db2.gz XJCYGJOIBWEAHY-MRVPVSSYSA-N 1 0 254.290 -2.036 20 30 CAEDRO COC[C@@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185505438 781786980 /nfs/dbraw/zinc/78/69/80/781786980.db2.gz ZCVLABGITNFNTP-GHMZBOCLSA-N 1 0 298.343 -1.522 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001185919050 781791610 /nfs/dbraw/zinc/79/16/10/781791610.db2.gz SNOGOTZNEWCSIX-LLVKDONJSA-N 1 0 289.339 -1.108 20 30 CAEDRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001186312157 781804462 /nfs/dbraw/zinc/80/44/62/781804462.db2.gz HJOHRJBMOLXQDJ-SECBINFHSA-N 1 0 291.315 -1.741 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186478956 781805640 /nfs/dbraw/zinc/80/56/40/781805640.db2.gz ATRBDQAXOCUYTQ-MRVPVSSYSA-N 1 0 278.272 -1.487 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001186466165 781805744 /nfs/dbraw/zinc/80/57/44/781805744.db2.gz SJTZZNLVKKSVAZ-SNVBAGLBSA-N 1 0 288.311 -1.080 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186452048 781805766 /nfs/dbraw/zinc/80/57/66/781805766.db2.gz JWSJBYPHWANLDF-MRVPVSSYSA-N 1 0 277.288 -1.751 20 30 CAEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396596 781805931 /nfs/dbraw/zinc/80/59/31/781805931.db2.gz XRFVMDHRFUGFOP-SNVBAGLBSA-N 1 0 278.312 -1.248 20 30 CAEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464908 781806002 /nfs/dbraw/zinc/80/60/02/781806002.db2.gz RVNIYQBUFCVSAM-LLVKDONJSA-N 1 0 279.340 -1.050 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186443813 781806567 /nfs/dbraw/zinc/80/65/67/781806567.db2.gz ACZFZQHUKRQGMG-SECBINFHSA-N 1 0 276.300 -1.642 20 30 CAEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001186576330 781807104 /nfs/dbraw/zinc/80/71/04/781807104.db2.gz QTQALJFZLJURLU-SNVBAGLBSA-N 1 0 290.327 -1.218 20 30 CAEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151586742 781812935 /nfs/dbraw/zinc/81/29/35/781812935.db2.gz LAVMAXPQMLHXKK-ZDUSSCGKSA-N 1 0 297.355 -1.411 20 30 CAEDRO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186804929 781813669 /nfs/dbraw/zinc/81/36/69/781813669.db2.gz XIQRNIXYFGAUPJ-NWDGAFQWSA-N 1 0 294.355 -1.163 20 30 CAEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221352 781816597 /nfs/dbraw/zinc/81/65/97/781816597.db2.gz WYFAVEIVTPBGCA-MNOVXSKESA-N 1 0 292.339 -1.795 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001187597820 781825319 /nfs/dbraw/zinc/82/53/19/781825319.db2.gz DTLKTLXFRVMSHL-NWDGAFQWSA-N 1 0 279.340 -1.349 20 30 CAEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698551 781827520 /nfs/dbraw/zinc/82/75/20/781827520.db2.gz GJHSORYJXUDOPP-LLVKDONJSA-N 1 0 282.344 -1.115 20 30 CAEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187894001 781830124 /nfs/dbraw/zinc/83/01/24/781830124.db2.gz CHJICCGWDSQORN-SECBINFHSA-N 1 0 261.347 -1.088 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187894841 781831469 /nfs/dbraw/zinc/83/14/69/781831469.db2.gz OCHQWUOACDKUAV-SECBINFHSA-N 1 0 259.331 -1.641 20 30 CAEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001188099535 781834084 /nfs/dbraw/zinc/83/40/84/781834084.db2.gz MBJJIIYHUYTAPG-LLVKDONJSA-N 1 0 290.327 -1.782 20 30 CAEDRO C=CCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188287187 781835046 /nfs/dbraw/zinc/83/50/46/781835046.db2.gz GVDPYKQIYACRFS-SNVBAGLBSA-N 1 0 298.343 -1.036 20 30 CAEDRO COCC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785723 781845230 /nfs/dbraw/zinc/84/52/30/781845230.db2.gz YLQSMTLWVZQBPQ-LBPRGKRZSA-N 1 0 292.343 -1.144 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829183 781846450 /nfs/dbraw/zinc/84/64/50/781846450.db2.gz SMRROCZEZZWTKQ-LLVKDONJSA-N 1 0 282.344 -1.163 20 30 CAEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785706 781846808 /nfs/dbraw/zinc/84/68/08/781846808.db2.gz YLQSMTLWVZQBPQ-GFCCVEGCSA-N 1 0 292.343 -1.144 20 30 CAEDRO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 ZINC001189390165 781853661 /nfs/dbraw/zinc/85/36/61/781853661.db2.gz OCKJEMPFIPUKMU-IUCAKERBSA-N 1 0 281.316 -1.126 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001189768728 781862470 /nfs/dbraw/zinc/86/24/70/781862470.db2.gz ASEBRVNUXTWUEZ-LLVKDONJSA-N 1 0 267.329 -1.349 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001189759714 781862614 /nfs/dbraw/zinc/86/26/14/781862614.db2.gz CEEBQWVBIMSFKY-MNOVXSKESA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001189759713 781863113 /nfs/dbraw/zinc/86/31/13/781863113.db2.gz CEEBQWVBIMSFKY-GHMZBOCLSA-N 1 0 294.355 -1.468 20 30 CAEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001189759717 781866513 /nfs/dbraw/zinc/86/65/13/781866513.db2.gz CEEBQWVBIMSFKY-WDEREUQCSA-N 1 0 294.355 -1.468 20 30 CAEDRO COCC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196045 781871625 /nfs/dbraw/zinc/87/16/25/781871625.db2.gz QWBIBBRXPSNOIF-LBPRGKRZSA-N 1 0 292.343 -1.144 20 30 CAEDRO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190905667 781893489 /nfs/dbraw/zinc/89/34/89/781893489.db2.gz YYLRDFJZFPSURE-GHMZBOCLSA-N 1 0 296.331 -1.963 20 30 CAEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001190989841 781895570 /nfs/dbraw/zinc/89/55/70/781895570.db2.gz UVEGMDHNKISQHO-GFCCVEGCSA-N 1 0 294.355 -1.595 20 30 CAEDRO C#CC[NH2+]C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001203736071 781901406 /nfs/dbraw/zinc/90/14/06/781901406.db2.gz SEKBYGAIBCRJSF-UHFFFAOYSA-N 1 0 273.358 -1.251 20 30 CAEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191562108 781913953 /nfs/dbraw/zinc/91/39/53/781913953.db2.gz YBKRYTINCOTHMP-SNVBAGLBSA-N 1 0 290.389 -1.241 20 30 CAEDRO