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665509148 /nfs/dbraw/zinc/50/91/48/665509148.db2.gz JCLHXRGCXCPKQV-CHWFTXMASA-N 0 2 321.381 -0.405 20 0 DBADLN Cc1[nH]nc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)c1[O-] ZINC000979667213 665677761 /nfs/dbraw/zinc/67/77/61/665677761.db2.gz IQXITNJSLDWGGA-GMTAPVOTSA-N 0 2 321.381 -0.261 20 0 DBADLN Cc1[nH]nc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)c1[O-] ZINC000979667213 665677764 /nfs/dbraw/zinc/67/77/64/665677764.db2.gz IQXITNJSLDWGGA-GMTAPVOTSA-N 0 2 321.381 -0.261 20 0 DBADLN CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2n[nH]c(=O)[n-]2)C1 ZINC001027848134 665694933 /nfs/dbraw/zinc/69/49/33/665694933.db2.gz QYUJLHDMNNIHGU-NSHDSACASA-N 0 2 322.369 -0.931 20 0 DBADLN CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2n[nH]c(=O)[n-]2)C1 ZINC001027848134 665694936 /nfs/dbraw/zinc/69/49/36/665694936.db2.gz QYUJLHDMNNIHGU-NSHDSACASA-N 0 2 322.369 -0.931 20 0 DBADLN Cc1nnc(CC(=O)N[C@H]2C[C@H](CNC(=O)c3cnn[nH]3)C2)[nH]1 ZINC000980026019 665709214 /nfs/dbraw/zinc/70/92/14/665709214.db2.gz 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O=C(NC[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)NC1 ZINC001027986763 665801272 /nfs/dbraw/zinc/80/12/72/665801272.db2.gz FCIGPNZFEQVIIG-VHSXEESVSA-N 0 2 322.369 -0.883 20 0 DBADLN O=C(NC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1)[C@H]1CCC(=O)NC1 ZINC001027986763 665801275 /nfs/dbraw/zinc/80/12/75/665801275.db2.gz FCIGPNZFEQVIIG-VHSXEESVSA-N 0 2 322.369 -0.883 20 0 DBADLN CCO[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000980764058 665796803 /nfs/dbraw/zinc/79/68/03/665796803.db2.gz BCYMJPCTPQGTCV-QWRGUYRKSA-N 0 2 309.370 -0.030 20 0 DBADLN Cn1cncc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001028005207 665809784 /nfs/dbraw/zinc/80/97/84/665809784.db2.gz ZFCGRXPIJAYOML-VIFPVBQESA-N 0 2 305.342 -0.362 20 0 DBADLN Cn1cncc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001028005207 665809785 /nfs/dbraw/zinc/80/97/85/665809785.db2.gz ZFCGRXPIJAYOML-VIFPVBQESA-N 0 2 305.342 -0.362 20 0 DBADLN C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1)C1CC1 ZINC000981333361 665844176 /nfs/dbraw/zinc/84/41/76/665844176.db2.gz OPOLGVCRCMIDMV-UONOGXRCSA-N 0 2 308.426 -0.251 20 0 DBADLN C[NH+](C)[C@H](C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1)C1CC1 ZINC000981333359 665844208 /nfs/dbraw/zinc/84/42/08/665844208.db2.gz OPOLGVCRCMIDMV-KBPBESRZSA-N 0 2 308.426 -0.251 20 0 DBADLN O=C(c1cn[nH]c(=O)c1)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000981397814 665848869 /nfs/dbraw/zinc/84/88/69/665848869.db2.gz QQGGRPQOZSGYBV-UHFFFAOYSA-N 0 2 319.325 -0.646 20 0 DBADLN O=C(c1cnc[nH]c1=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000981416220 665849830 /nfs/dbraw/zinc/84/98/30/665849830.db2.gz CUURUMCIIFMVSD-UHFFFAOYSA-N 0 2 319.325 -0.646 20 0 DBADLN O=C([C@@H]1CCC(=O)NC1)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000981523285 665855581 /nfs/dbraw/zinc/85/55/81/665855581.db2.gz NMLLGWCKZUFQII-SNVBAGLBSA-N 0 2 322.369 -0.929 20 0 DBADLN C[C@@H]1CO[C@@H](C(=O)N2CCCN(Cc3n[nH]c(=O)[nH]3)CC2)C1 ZINC000981646540 665864480 /nfs/dbraw/zinc/86/44/80/665864480.db2.gz MKQIAYOWJRWVDS-WDEREUQCSA-N 0 2 309.370 -0.030 20 0 DBADLN Cc1cnn(C)c1C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000981786203 665875342 /nfs/dbraw/zinc/87/53/42/665875342.db2.gz WINPLUMFFSFOGT-UHFFFAOYSA-N 0 2 319.369 -0.100 20 0 DBADLN O=C(N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1)[C@]1(F)CCOC1 ZINC000981822223 665877891 /nfs/dbraw/zinc/87/78/91/665877891.db2.gz YHCIHOAVEQKHMO-ZDUSSCGKSA-N 0 2 313.333 -0.327 20 0 DBADLN CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000981957572 665893826 /nfs/dbraw/zinc/89/38/26/665893826.db2.gz MGHOJCVLSOUSMG-ZIAGYGMSSA-N 0 2 310.442 -0.003 20 0 DBADLN C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981953248 665893885 /nfs/dbraw/zinc/89/38/85/665893885.db2.gz KDWRZRSPSBUOTC-UONOGXRCSA-N 0 2 308.426 -0.107 20 0 DBADLN Cc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001010387448 665911542 /nfs/dbraw/zinc/91/15/42/665911542.db2.gz GMUSGXQCKIMYLF-VIFPVBQESA-N 0 2 305.342 -0.443 20 0 DBADLN CCn1cc(C(=O)NC[C@H]2CCCN2Cc2n[nH]c(=O)[nH]2)nn1 ZINC001028230141 665930827 /nfs/dbraw/zinc/93/08/27/665930827.db2.gz USUKDGLMPLNSDM-SECBINFHSA-N 0 2 320.357 -0.484 20 0 DBADLN Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCCN(C)C2=O)c1[O-] ZINC001038164465 665963519 /nfs/dbraw/zinc/96/35/19/665963519.db2.gz JCODBBCMXRWRIM-GHMZBOCLSA-N 0 2 321.381 -0.151 20 0 DBADLN Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCCN(C)C2=O)c1[O-] ZINC001038164465 665963526 /nfs/dbraw/zinc/96/35/26/665963526.db2.gz JCODBBCMXRWRIM-GHMZBOCLSA-N 0 2 321.381 -0.151 20 0 DBADLN Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCCNC2=O)c1[O-] ZINC001038166024 663794851 /nfs/dbraw/zinc/79/48/51/663794851.db2.gz VFUQHZCDXFRNCN-VHSXEESVSA-N 0 2 307.354 -0.494 20 0 DBADLN Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCCNC2=O)c1[O-] ZINC001038166024 663794853 /nfs/dbraw/zinc/79/48/53/663794853.db2.gz VFUQHZCDXFRNCN-VHSXEESVSA-N 0 2 307.354 -0.494 20 0 DBADLN C[C@@H](NC(=O)C1=COCCO1)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000969237153 663808163 /nfs/dbraw/zinc/80/81/63/663808163.db2.gz PCZVTVKUHLROLM-MRVPVSSYSA-N 0 2 309.326 -0.665 20 0 DBADLN Cc1c(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[nH]3)C2)cnn1C ZINC000969312795 663812792 /nfs/dbraw/zinc/81/27/92/663812792.db2.gz AKNLLHFJTHLMHB-MRVPVSSYSA-N 0 2 319.369 -0.197 20 0 DBADLN Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O ZINC000969413585 663827263 /nfs/dbraw/zinc/82/72/63/663827263.db2.gz WJRZFQHGEGFZOQ-NEPJUHHUSA-N 0 2 319.321 -0.750 20 0 DBADLN Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O ZINC000969413837 663827376 /nfs/dbraw/zinc/82/73/76/663827376.db2.gz ZVHMZUZTKDMLEG-FRRDWIJNSA-N 0 2 322.365 -0.872 20 0 DBADLN C[C@@H](NC(=O)c1nccnc1N)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000969425257 663829817 /nfs/dbraw/zinc/82/98/17/663829817.db2.gz XJQFLCDIZAROSO-SSDOTTSWSA-N 0 2 318.341 -0.867 20 0 DBADLN C[C@@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000969477075 663836692 /nfs/dbraw/zinc/83/66/92/663836692.db2.gz UHJYFFGGTPEUKG-MRVPVSSYSA-N 0 2 318.337 -0.139 20 0 DBADLN C[C@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000969477076 663836801 /nfs/dbraw/zinc/83/68/01/663836801.db2.gz UHJYFFGGTPEUKG-QMMMGPOBSA-N 0 2 318.337 -0.139 20 0 DBADLN Cc1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(=O)[nH]2)ncn1 ZINC001038169941 663841754 /nfs/dbraw/zinc/84/17/54/663841754.db2.gz QOLQQAGVWSXEJS-VIFPVBQESA-N 0 2 303.326 -0.387 20 0 DBADLN Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001021053272 663941700 /nfs/dbraw/zinc/94/17/00/663941700.db2.gz LGXKZLJLFNMTAH-HAQNSBGRSA-N 0 2 303.370 -0.243 20 0 DBADLN COc1nc(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[nH]3)C2)co1 ZINC000970220145 663948312 /nfs/dbraw/zinc/94/83/12/663948312.db2.gz JTCHIVKMPGTDAO-ZETCQYMHSA-N 0 2 322.325 -0.243 20 0 DBADLN C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC000970440486 663989203 /nfs/dbraw/zinc/98/92/03/663989203.db2.gz AGKOSTJDTFSZKR-PTRXPTGYSA-N 0 2 309.370 -0.128 20 0 DBADLN Cc1c[nH]c(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[nH]3)C2)n1 ZINC000970554744 664007106 /nfs/dbraw/zinc/00/71/06/664007106.db2.gz 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O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)c1ccnc2ccnn21 ZINC001030426830 674887042 /nfs/dbraw/zinc/88/70/42/674887042.db2.gz BBDOMAMLIBCHBR-UHFFFAOYSA-N 0 2 314.309 -0.833 20 0 DBADLN COc1ccncc1CC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001030514379 674898991 /nfs/dbraw/zinc/89/89/91/674898991.db2.gz NQICZQMIPLPMBM-UHFFFAOYSA-N 0 2 318.337 -0.543 20 0 DBADLN O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)[C@@H]1CCCn2nccc21 ZINC001030547736 674902873 /nfs/dbraw/zinc/90/28/73/674902873.db2.gz JFAOEMKMOVOLHJ-SNVBAGLBSA-N 0 2 317.353 -0.415 20 0 DBADLN COc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)ccn1 ZINC001030592467 674909062 /nfs/dbraw/zinc/90/90/62/674909062.db2.gz BPSCEHNXTFXVHY-UHFFFAOYSA-N 0 2 304.310 -0.472 20 0 DBADLN CCCc1n[nH]cc1C(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001030591400 674908712 /nfs/dbraw/zinc/90/87/12/674908712.db2.gz ACVHYMXOIGXELG-UHFFFAOYSA-N 0 2 305.342 -0.200 20 0 DBADLN CC1(C)CO[C@@H](C[NH+]2CC(NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001030615952 674913190 /nfs/dbraw/zinc/91/31/90/674913190.db2.gz 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