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606892663 /nfs/dbraw/zinc/89/26/63/606892663.db2.gz HDGYCITXJUWERZ-UHFFFAOYSA-N -2 3 387.328 -1.025 20 0 GAADHL COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826147540 607985442 /nfs/dbraw/zinc/98/54/42/607985442.db2.gz ASXZQWDNLLYGCH-UHFFFAOYSA-N -2 3 382.402 -1.083 20 0 GAADHL COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826147540 607985441 /nfs/dbraw/zinc/98/54/41/607985441.db2.gz ASXZQWDNLLYGCH-UHFFFAOYSA-N -2 3 382.402 -1.083 20 0 GAADHL COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826147590 607985213 /nfs/dbraw/zinc/98/52/13/607985213.db2.gz CPSXIZBVNYOEOA-UHFFFAOYSA-N -2 3 382.402 -1.083 20 0 GAADHL COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826147590 607985212 /nfs/dbraw/zinc/98/52/12/607985212.db2.gz CPSXIZBVNYOEOA-UHFFFAOYSA-N -2 3 382.402 -1.083 20 0 GAADHL COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826148038 607987662 /nfs/dbraw/zinc/98/76/62/607987662.db2.gz WNQSYZKQFBEEKJ-UHFFFAOYSA-N -2 3 382.402 -1.083 20 0 GAADHL COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826148038 607987661 /nfs/dbraw/zinc/98/76/61/607987661.db2.gz WNQSYZKQFBEEKJ-UHFFFAOYSA-N -2 3 382.402 -1.083 20 0 GAADHL Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cnc21 ZINC000826354407 607462015 /nfs/dbraw/zinc/46/20/15/607462015.db2.gz BRAKAYXSAQPRGZ-UHFFFAOYSA-N -2 3 390.345 -1.262 20 0 GAADHL O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCc1n[nH]c(=O)[n-]1 ZINC000826413198 608440420 /nfs/dbraw/zinc/44/04/20/608440420.db2.gz VSZUDDQFPYZXKF-UHFFFAOYSA-N -2 3 380.346 -1.288 20 0 GAADHL O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCc1n[nH]c(=O)[n-]1 ZINC000826413198 608440418 /nfs/dbraw/zinc/44/04/18/608440418.db2.gz VSZUDDQFPYZXKF-UHFFFAOYSA-N -2 3 380.346 -1.288 20 0 GAADHL O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1n[nH]c(=O)[n-]1 ZINC000826413297 608435512 /nfs/dbraw/zinc/43/55/12/608435512.db2.gz ZPRLIWAHDFIEGT-UHFFFAOYSA-N -2 3 380.346 -1.288 20 0 GAADHL O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1n[nH]c(=O)[n-]1 ZINC000826413297 608435511 /nfs/dbraw/zinc/43/55/11/608435511.db2.gz ZPRLIWAHDFIEGT-UHFFFAOYSA-N -2 3 380.346 -1.288 20 0 GAADHL O=C1CN(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCN1 ZINC000826481229 609319259 /nfs/dbraw/zinc/31/92/59/609319259.db2.gz MDFXXZDGZJSUCE-UHFFFAOYSA-N -2 3 387.372 -1.145 20 0 GAADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2[nH]c1=O ZINC000826501410 608308106 /nfs/dbraw/zinc/30/81/06/608308106.db2.gz OVHKOUYWLUGTEL-UHFFFAOYSA-N -2 3 375.330 -1.080 20 0 GAADHL C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C(=O)NCC(=O)[O-] ZINC000827860678 600687013 /nfs/dbraw/zinc/68/70/13/600687013.db2.gz FKHFJXIHFRDLLM-SSDOTTSWSA-N -2 3 380.400 -1.235 20 0 GAADHL C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C(=O)NCC(=O)[O-] ZINC000827860679 600687041 /nfs/dbraw/zinc/68/70/41/600687041.db2.gz FKHFJXIHFRDLLM-ZETCQYMHSA-N -2 3 380.400 -1.235 20 0 GAADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCS(=O)(=O)N1CCOCC1 ZINC000829143608 637445535 /nfs/dbraw/zinc/44/55/35/637445535.db2.gz UHDYZGSENUFKNV-UHFFFAOYSA-N -2 3 385.445 -1.218 20 0 GAADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCS(=O)(=O)N1CCOCC1 ZINC000829143722 637445647 /nfs/dbraw/zinc/44/56/47/637445647.db2.gz ZFMVCMINQBWXNX-UHFFFAOYSA-N -2 3 385.445 -1.218 20 0 GAADHL CC(C)(C)OC(=O)N1C[C@H](C(=O)[N-]OCCO)[C@@H](C(=O)[N-]OCCO)C1 ZINC000840425272 1073876398 /nfs/dbraw/zinc/87/63/98/1073876398.db2.gz ZRUACKNKRVVMNA-QWRGUYRKSA-N -2 3 377.394 -1.450 20 0 GAADHL CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000848964183 637464741 /nfs/dbraw/zinc/46/47/41/637464741.db2.gz KQULJYUJXUHZGK-MRVPVSSYSA-N -2 3 381.436 -1.193 20 0 GAADHL CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000848964184 637464759 /nfs/dbraw/zinc/46/47/59/637464759.db2.gz KQULJYUJXUHZGK-QMMMGPOBSA-N -2 3 381.436 -1.193 20 0 GAADHL Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]CC2(C)OCCO2)n1 ZINC000848965311 637465674 /nfs/dbraw/zinc/46/56/74/637465674.db2.gz JPORXANYWYQUGI-UHFFFAOYSA-N -2 3 383.452 -1.371 20 0 GAADHL Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]CC2(C)OCCO2)nn1C ZINC000848965478 637465466 /nfs/dbraw/zinc/46/54/66/637465466.db2.gz NWKIOZBGXYLWOJ-UHFFFAOYSA-N -2 3 397.479 -1.062 20 0 GAADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C2 ZINC000851680412 1075442618 /nfs/dbraw/zinc/44/26/18/1075442618.db2.gz HZAXUDJPTCHFFZ-SREIQFSDSA-N -2 3 377.279 -1.001 20 0 GAADHL Cc1nc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)nc(C)c1Br ZINC001144892502 1075073865 /nfs/dbraw/zinc/07/38/65/1075073865.db2.gz IVXTVYMVWLQCTI-BWVDBABLSA-N -2 3 378.179 -1.561 20 0 GAADHL Cc1nc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)nc(C)c1Br ZINC001144892507 1075073871 /nfs/dbraw/zinc/07/38/71/1075073871.db2.gz IVXTVYMVWLQCTI-CNUIFLNQSA-N -2 3 378.179 -1.561 20 0 GAADHL Cc1nc(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)nc(C)c1Br ZINC001144892508 1075073905 /nfs/dbraw/zinc/07/39/05/1075073905.db2.gz IVXTVYMVWLQCTI-FTLITQJKSA-N -2 3 378.179 -1.561 20 0 GAADHL Cc1nc(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)nc(C)c1Br ZINC001144892509 1075073893 /nfs/dbraw/zinc/07/38/93/1075073893.db2.gz IVXTVYMVWLQCTI-NBEYISGCSA-N -2 3 378.179 -1.561 20 0 GAADHL CS(=O)(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)cc1F ZINC001144901938 1075069598 /nfs/dbraw/zinc/06/95/98/1075069598.db2.gz GELOQXQIFHMSQO-DVVUODLYSA-N -2 3 383.325 -2.049 20 0 GAADHL CS(=O)(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)cc1F ZINC001144901939 1075069546 /nfs/dbraw/zinc/06/95/46/1075069546.db2.gz GELOQXQIFHMSQO-FBIMIBRVSA-N -2 3 383.325 -2.049 20 0 GAADHL CS(=O)(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)cc1F ZINC001144901940 1075069486 /nfs/dbraw/zinc/06/94/86/1075069486.db2.gz GELOQXQIFHMSQO-INTQDDNPSA-N -2 3 383.325 -2.049 20 0 GAADHL CS(=O)(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)cc1F ZINC001144901941 1075069607 /nfs/dbraw/zinc/06/96/07/1075069607.db2.gz GELOQXQIFHMSQO-JMJZKYOTSA-N -2 3 383.325 -2.049 20 0 GAADHL COC(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)c(C)c1F ZINC001144908164 1075073475 /nfs/dbraw/zinc/07/34/75/1075073475.db2.gz YVJCWAXNVJMWMR-GGZOMVNGSA-N -2 3 377.296 -1.358 20 0 GAADHL COC(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)c(C)c1F ZINC001144908165 1075073451 /nfs/dbraw/zinc/07/34/51/1075073451.db2.gz YVJCWAXNVJMWMR-JFUSQASVSA-N -2 3 377.296 -1.358 20 0 GAADHL COC(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)c(C)c1F ZINC001144908166 1075073421 /nfs/dbraw/zinc/07/34/21/1075073421.db2.gz YVJCWAXNVJMWMR-KPXOXKRLSA-N -2 3 377.296 -1.358 20 0 GAADHL COC(=O)c1cc(F)c(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)c(C)c1F ZINC001144908167 1075073462 /nfs/dbraw/zinc/07/34/62/1075073462.db2.gz YVJCWAXNVJMWMR-XXILOJSOSA-N -2 3 377.296 -1.358 20 0 GAADHL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152448022 1073907721 /nfs/dbraw/zinc/90/77/21/1073907721.db2.gz BWHXITBXDJGSAO-UHFFFAOYSA-N -2 3 394.325 -1.468 20 0 GAADHL O=P([O-])([O-])OCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001157788086 1073927891 /nfs/dbraw/zinc/92/78/91/1073927891.db2.gz ZSNYVFMSPJMKDN-UHFFFAOYSA-N -2 3 390.337 -1.512 20 0 GAADHL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183655803 1075343138 /nfs/dbraw/zinc/34/31/38/1075343138.db2.gz TWIVTGMFJOOGAS-UHFFFAOYSA-N -2 3 391.297 -2.550 20 0 GAADHL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183665408 1075342698 /nfs/dbraw/zinc/34/26/98/1075342698.db2.gz ZFRDIGFBHOLZEH-JTQLQIEISA-N -2 3 396.335 -1.871 20 0 GAADHL N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1[n-]c(=O)ccc1Cl ZINC001184799009 1075349025 /nfs/dbraw/zinc/34/90/25/1075349025.db2.gz PUYZXHHLJRQGPT-UHFFFAOYSA-N -2 3 376.738 -1.157 20 0 GAADHL C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001185623046 1075353061 /nfs/dbraw/zinc/35/30/61/1075353061.db2.gz XCHZDLWRZJOVAZ-RCOVLWMOSA-N -2 3 388.387 -1.453 20 0 GAADHL C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C(=O)N1S(=O)(=O)[O-] ZINC001185623046 1075353057 /nfs/dbraw/zinc/35/30/57/1075353057.db2.gz XCHZDLWRZJOVAZ-RCOVLWMOSA-N -2 3 388.387 -1.453 20 0 GAADHL O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([N-]S(=O)(=O)c2ccco2)[C@@H](O)[C@@H]1O ZINC001186884168 1075366717 /nfs/dbraw/zinc/36/67/17/1075366717.db2.gz YYPHFTRYINUBLZ-GRUVDUQJSA-N -2 3 389.360 -2.815 20 0 GAADHL O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([N-]S(=O)(=O)c2ccco2)[C@@H](O)[C@@H]1O ZINC001186884169 1075366737 /nfs/dbraw/zinc/36/67/37/1075366737.db2.gz YYPHFTRYINUBLZ-QXOHVQIXSA-N -2 3 389.360 -2.815 20 0 GAADHL COC(=O)c1cnc(=O)[n-]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001229873322 1074072747 /nfs/dbraw/zinc/07/27/47/1074072747.db2.gz TXTGKKOJTLEZRS-SECBINFHSA-N -2 3 377.375 -1.064 20 0 GAADHL COC(=O)c1cnc(=O)[n-]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001229873323 1074072707 /nfs/dbraw/zinc/07/27/07/1074072707.db2.gz TXTGKKOJTLEZRS-VIFPVBQESA-N -2 3 377.375 -1.064 20 0 GAADHL COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001230501845 1074073972 /nfs/dbraw/zinc/07/39/72/1074073972.db2.gz LHMBBVODQFMLIR-JTQLQIEISA-N -2 3 391.402 -1.135 20 0 GAADHL COC(=O)Cc1c(=O)[n-]cnc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001230501846 1074073842 /nfs/dbraw/zinc/07/38/42/1074073842.db2.gz LHMBBVODQFMLIR-SNVBAGLBSA-N -2 3 391.402 -1.135 20 0 GAADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)s1 ZINC001260708816 1074201636 /nfs/dbraw/zinc/20/16/36/1074201636.db2.gz BQAYNXFPJUFCEF-FFWSUHOLSA-N -2 3 384.417 -1.218 20 0 GAADHL CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001261543218 1074230989 /nfs/dbraw/zinc/23/09/89/1074230989.db2.gz HUVXCPMZGGGFPX-UHFFFAOYSA-N -2 3 378.385 -1.140 20 0 GAADHL O=C(Cn1nn[n-]c1=S)N1CCc2[nH]nc(C(=O)[N-]c3nnco3)c2C1 ZINC001273170499 1074883090 /nfs/dbraw/zinc/88/30/90/1074883090.db2.gz OFAKUKLLSZWUDQ-UHFFFAOYSA-N -2 3 376.362 -1.095 20 0 GAADHL O=C(Cn1nn[n-]c1=S)N1CCn2c(nnc2C(=O)[N-]c2nnco2)C1 ZINC001273171219 1074883743 /nfs/dbraw/zinc/88/37/43/1074883743.db2.gz UUXZIRVNPVNSLG-UHFFFAOYSA-N -2 3 377.350 -1.769 20 0 GAADHL CO[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001571235163 953209098 /nfs/dbraw/zinc/20/90/98/953209098.db2.gz VTAFGQYQJWUAHJ-NXEZZACHSA-N -2 3 384.360 -1.214 20 0 GAADHL O=C(NC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1)c1cnc[n-]c1=O ZINC001571235236 953210157 /nfs/dbraw/zinc/21/01/57/953210157.db2.gz YFNXGFZJJBNATE-SECBINFHSA-N -2 3 384.360 -1.213 20 0 GAADHL O=C(NC[C@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1)c1cnc[n-]c1=O ZINC001571235237 953210650 /nfs/dbraw/zinc/21/06/50/953210650.db2.gz YFNXGFZJJBNATE-VIFPVBQESA-N -2 3 384.360 -1.213 20 0 GAADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571285981 945932440 /nfs/dbraw/zinc/93/24/40/945932440.db2.gz UAAVRAGQGGTQRD-UHFFFAOYSA-N -2 3 388.323 -1.041 20 0 GAADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571285981 945932427 /nfs/dbraw/zinc/93/24/27/945932427.db2.gz UAAVRAGQGGTQRD-UHFFFAOYSA-N -2 3 388.323 -1.041 20 0 GAADHL Cc1c(-c2nnn[n-]2)c(=O)n(CC(=O)CC[N-]C(=O)C(F)(F)F)c(=O)n1C ZINC001571290671 946051398 /nfs/dbraw/zinc/05/13/98/946051398.db2.gz LMQHNLODTWFMRG-UHFFFAOYSA-N -2 3 389.294 -1.327 20 0 GAADHL Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)CC[N-]C(=O)C(F)(F)F)c(=O)n1C ZINC001571290671 946051385 /nfs/dbraw/zinc/05/13/85/946051385.db2.gz LMQHNLODTWFMRG-UHFFFAOYSA-N -2 3 389.294 -1.327 20 0 GAADHL O=C([O-])COCCOCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001574729729 962827226 /nfs/dbraw/zinc/82/72/26/962827226.db2.gz DZZRDJDWDLCETA-UHFFFAOYSA-N -2 3 394.178 -1.055 20 0 GAADHL CN(C)CCN1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1=O ZINC001578991996 1075461102 /nfs/dbraw/zinc/46/11/02/1075461102.db2.gz IWZWJKRLHNRLMU-UHFFFAOYSA-N -2 3 386.420 -1.179 20 0 GAADHL CN(C[C@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)c1cnc[n-]c1=O ZINC001579028446 1075479517 /nfs/dbraw/zinc/47/95/17/1075479517.db2.gz NXWRPYXBDYGHAC-SECBINFHSA-N -2 3 386.376 -1.278 20 0 GAADHL CN(C[C@@H](O)CN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)c1cnc[n-]c1=O ZINC001579028447 1075479678 /nfs/dbraw/zinc/47/96/78/1075479678.db2.gz NXWRPYXBDYGHAC-VIFPVBQESA-N -2 3 386.376 -1.278 20 0 GAADHL CN(CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001579157569 1075518058 /nfs/dbraw/zinc/51/80/58/1075518058.db2.gz XUMAZBMNIUYUBQ-UHFFFAOYSA-N -2 3 392.355 -1.002 20 0 GAADHL CN(CCNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ncc(-c2nnn[n-]2)cc1F ZINC001579184799 1075521810 /nfs/dbraw/zinc/52/18/10/1075521810.db2.gz JMUPCEAXUYVCPE-UHFFFAOYSA-N -2 3 378.328 -1.344 20 0 GAADHL CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001579215182 1075525130 /nfs/dbraw/zinc/52/51/30/1075525130.db2.gz GOBHFXRSUVQLEQ-UHFFFAOYSA-N -2 3 386.376 -2.111 20 0 GAADHL CN(CCNc1ccnc(-c2nnn[n-]2)n1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001579215182 1075525128 /nfs/dbraw/zinc/52/51/28/1075525128.db2.gz GOBHFXRSUVQLEQ-UHFFFAOYSA-N -2 3 386.376 -2.111 20 0 GAADHL CN(CCNc1ncc(-c2nnn[n-]2)cc1F)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001579222345 1075525511 /nfs/dbraw/zinc/52/55/11/1075525511.db2.gz OREJOMFPDLPREP-UHFFFAOYSA-N -2 3 378.328 -1.026 20 0 GAADHL CO[N-]C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001579848813 1075676140 /nfs/dbraw/zinc/67/61/40/1075676140.db2.gz RUBJTXLVHLCSDW-MRVPVSSYSA-N -2 3 383.390 -1.673 20 0 GAADHL CO[N-]C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001579848813 1075676138 /nfs/dbraw/zinc/67/61/38/1075676138.db2.gz RUBJTXLVHLCSDW-MRVPVSSYSA-N -2 3 383.390 -1.673 20 0 GAADHL CO[N-]C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001579848814 1075676119 /nfs/dbraw/zinc/67/61/19/1075676119.db2.gz RUBJTXLVHLCSDW-QMMMGPOBSA-N -2 3 383.390 -1.673 20 0 GAADHL CO[N-]C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001579848814 1075676117 /nfs/dbraw/zinc/67/61/17/1075676117.db2.gz RUBJTXLVHLCSDW-QMMMGPOBSA-N -2 3 383.390 -1.673 20 0 GAADHL CS(=O)(=O)C[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001580158724 1075698275 /nfs/dbraw/zinc/69/82/75/1075698275.db2.gz PAZUFSLPVDRSLK-SSDOTTSWSA-N -2 3 397.385 -1.171 20 0 GAADHL CS(=O)(=O)C[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001580158725 1075698292 /nfs/dbraw/zinc/69/82/92/1075698292.db2.gz PAZUFSLPVDRSLK-ZETCQYMHSA-N -2 3 397.385 -1.171 20 0 GAADHL C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001580346085 1075710013 /nfs/dbraw/zinc/71/00/13/1075710013.db2.gz QCJIOGAUDBIOGA-PSASIEDQSA-N -2 3 386.376 -1.095 20 0 GAADHL C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001580348711 1075710404 /nfs/dbraw/zinc/71/04/04/1075710404.db2.gz ZUMKECVPBXRGPH-LDYMZIIASA-N -2 3 386.376 -1.095 20 0 GAADHL C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001580360617 1075711699 /nfs/dbraw/zinc/71/16/99/1075711699.db2.gz WRDNYCJNHYRKGK-PSASIEDQSA-N -2 3 386.376 -1.095 20 0 GAADHL Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001581073240 1075752023 /nfs/dbraw/zinc/75/20/23/1075752023.db2.gz FAWJJPCHNKXODG-SECBINFHSA-N -2 3 386.376 -1.032 20 0 GAADHL Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001581073243 1075752132 /nfs/dbraw/zinc/75/21/32/1075752132.db2.gz FAWJJPCHNKXODG-VIFPVBQESA-N -2 3 386.376 -1.032 20 0 GAADHL Cc1nc(N2CC[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)ccc1-c1nnn[n-]1 ZINC001581473188 1075765109 /nfs/dbraw/zinc/76/51/09/1075765109.db2.gz QSXYIFFKCFLIHR-SECBINFHSA-N -2 3 386.376 -1.032 20 0 GAADHL Cc1nc(N2CC[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)ccc1-c1nnn[n-]1 ZINC001581473189 1075765194 /nfs/dbraw/zinc/76/51/94/1075765194.db2.gz QSXYIFFKCFLIHR-VIFPVBQESA-N -2 3 386.376 -1.032 20 0 GAADHL Cc1nc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)ccc1-c1nnn[n-]1 ZINC001581480885 1075766060 /nfs/dbraw/zinc/76/60/60/1075766060.db2.gz KJPXZSWAVANEOE-UHFFFAOYSA-N -2 3 386.376 -1.078 20 0 GAADHL Cc1nn(C)c(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)c1-c1nnn[n-]1 ZINC001581592513 1075771506 /nfs/dbraw/zinc/77/15/06/1075771506.db2.gz ORKTYZBQXNWBHT-UHFFFAOYSA-N -2 3 389.380 -1.740 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001582185408 1075892020 /nfs/dbraw/zinc/89/20/20/1075892020.db2.gz KDDUNMMKJLQSKM-MRVPVSSYSA-N -2 3 390.339 -1.201 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001582185409 1075892521 /nfs/dbraw/zinc/89/25/21/1075892521.db2.gz KDDUNMMKJLQSKM-QMMMGPOBSA-N -2 3 390.339 -1.201 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001582185515 1075892513 /nfs/dbraw/zinc/89/25/13/1075892513.db2.gz KGARDZWALZXSBW-SECBINFHSA-N -2 3 386.376 -1.093 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001582185516 1075892377 /nfs/dbraw/zinc/89/23/77/1075892377.db2.gz KGARDZWALZXSBW-VIFPVBQESA-N -2 3 386.376 -1.093 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001582185530 1075892480 /nfs/dbraw/zinc/89/24/80/1075892480.db2.gz KYCWXBVYWHACFG-SECBINFHSA-N -2 3 386.376 -1.093 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001582185531 1075892543 /nfs/dbraw/zinc/89/25/43/1075892543.db2.gz KYCWXBVYWHACFG-VIFPVBQESA-N -2 3 386.376 -1.093 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001582185542 1075892503 /nfs/dbraw/zinc/89/25/03/1075892503.db2.gz LMNIVGKWFCRJRD-UWVGGRQHSA-N -2 3 384.360 -1.246 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001582185591 1075892553 /nfs/dbraw/zinc/89/25/53/1075892553.db2.gz ODYOEJPNQWCOCS-UWVGGRQHSA-N -2 3 384.360 -1.246 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001582185750 1075892492 /nfs/dbraw/zinc/89/24/92/1075892492.db2.gz RQELIKQMVSAACC-UHFFFAOYSA-N -2 3 377.390 -1.069 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001582185794 1075892561 /nfs/dbraw/zinc/89/25/61/1075892561.db2.gz UNNCJRWOGQYSEB-GDGBQDQQSA-N -2 3 384.360 -1.485 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001582185797 1075892532 /nfs/dbraw/zinc/89/25/32/1075892532.db2.gz UPGGFISGQHJSCS-SECBINFHSA-N -2 3 386.376 -1.093 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001582185798 1075892584 /nfs/dbraw/zinc/89/25/84/1075892584.db2.gz UPGGFISGQHJSCS-VIFPVBQESA-N -2 3 386.376 -1.093 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001582185915 1075892364 /nfs/dbraw/zinc/89/23/64/1075892364.db2.gz YOZKVBBCTNPTKQ-GDGBQDQQSA-N -2 3 384.360 -1.485 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001582185935 1075892435 /nfs/dbraw/zinc/89/24/35/1075892435.db2.gz ZRSGCFUKNVITKR-UHFFFAOYSA-N -2 3 390.339 -1.248 20 0 GAADHL O=C(NC[C@@H]1COCCN1c1ccnc(-c2nnn[n-]2)n1)c1cnc[n-]c1=O ZINC001582489460 1075968347 /nfs/dbraw/zinc/96/83/47/1075968347.db2.gz NAMSNJOZGYGRJA-SECBINFHSA-N -2 3 384.360 -1.213 20 0 GAADHL O=C(NC[C@H]1COCCN1c1ccnc(-c2nnn[n-]2)n1)c1cnc[n-]c1=O ZINC001582489461 1075968130 /nfs/dbraw/zinc/96/81/30/1075968130.db2.gz NAMSNJOZGYGRJA-VIFPVBQESA-N -2 3 384.360 -1.213 20 0 GAADHL O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582524492 1075972285 /nfs/dbraw/zinc/97/22/85/1075972285.db2.gz MTRQFSUBRKRSIX-UHFFFAOYSA-N -2 3 387.408 -1.434 20 0 GAADHL O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582525118 1075973540 /nfs/dbraw/zinc/97/35/40/1075973540.db2.gz WVSMSJSOLQAQPZ-UHFFFAOYSA-N -2 3 387.408 -1.434 20 0 GAADHL O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582525118 1075973536 /nfs/dbraw/zinc/97/35/36/1075973536.db2.gz WVSMSJSOLQAQPZ-UHFFFAOYSA-N -2 3 387.408 -1.434 20 0 GAADHL O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001582525176 1075973435 /nfs/dbraw/zinc/97/34/35/1075973435.db2.gz ZZIFERRXVZPXIG-UHFFFAOYSA-N -2 3 387.408 -1.434 20 0 GAADHL O=C(NCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001582525176 1075973431 /nfs/dbraw/zinc/97/34/31/1075973431.db2.gz ZZIFERRXVZPXIG-UHFFFAOYSA-N -2 3 387.408 -1.434 20 0 GAADHL O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001582673381 1075989238 /nfs/dbraw/zinc/98/92/38/1075989238.db2.gz BUCXQXHQJSEIGQ-UHFFFAOYSA-N -2 3 386.376 -1.255 20 0 GAADHL O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001582673381 1075989232 /nfs/dbraw/zinc/98/92/32/1075989232.db2.gz BUCXQXHQJSEIGQ-UHFFFAOYSA-N -2 3 386.376 -1.255 20 0 GAADHL O=C(c1cnc[n-]c1=O)N1CCO[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001582676176 1075989973 /nfs/dbraw/zinc/98/99/73/1075989973.db2.gz VKMJQHLXKIZYNG-SECBINFHSA-N -2 3 384.360 -1.473 20 0 GAADHL 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ZINC001591365016 1076149423 /nfs/dbraw/zinc/14/94/23/1076149423.db2.gz FGKLNOBIMSCKLG-UHFFFAOYSA-N -2 3 398.401 -1.215 20 0 GAADHL COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001591365016 1076149419 /nfs/dbraw/zinc/14/94/19/1076149419.db2.gz FGKLNOBIMSCKLG-UHFFFAOYSA-N -2 3 398.401 -1.215 20 0 GAADHL COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1=O ZINC001591429086 1076152759 /nfs/dbraw/zinc/15/27/59/1076152759.db2.gz OJYSQGLGUHJPNH-JTQLQIEISA-N -2 3 395.401 -1.439 20 0 GAADHL COCCN1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1=O ZINC001591429086 1076152756 /nfs/dbraw/zinc/15/27/56/1076152756.db2.gz OJYSQGLGUHJPNH-JTQLQIEISA-N -2 3 395.401 -1.439 20 0 GAADHL COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1=O ZINC001591429090 1076152609 /nfs/dbraw/zinc/15/26/09/1076152609.db2.gz OJYSQGLGUHJPNH-SNVBAGLBSA-N -2 3 395.401 -1.439 20 0 GAADHL COCCN1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1=O ZINC001591429090 1076152606 /nfs/dbraw/zinc/15/26/06/1076152606.db2.gz OJYSQGLGUHJPNH-SNVBAGLBSA-N -2 3 395.401 -1.439 20 0 GAADHL Cc1cc(S(=O)(=O)[N-]CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)sn1 ZINC001592064612 1076178447 /nfs/dbraw/zinc/17/84/47/1076178447.db2.gz AZMGRCXUQXEHCS-UHFFFAOYSA-N -2 3 384.403 -1.128 20 0 GAADHL Cc1cc(S(=O)(=O)[N-]CCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)sn1 ZINC001592064612 1076178444 /nfs/dbraw/zinc/17/84/44/1076178444.db2.gz AZMGRCXUQXEHCS-UHFFFAOYSA-N -2 3 384.403 -1.128 20 0 GAADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC001592110075 1076179493 /nfs/dbraw/zinc/17/94/93/1076179493.db2.gz AWQCOAJOAFODBC-UHFFFAOYSA-N -2 3 392.401 -1.034 20 0 GAADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCn1ncn(C)c1=O ZINC001592110075 1076179486 /nfs/dbraw/zinc/17/94/86/1076179486.db2.gz AWQCOAJOAFODBC-UHFFFAOYSA-N -2 3 392.401 -1.034 20 0 GAADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC001592111175 1076179410 /nfs/dbraw/zinc/17/94/10/1076179410.db2.gz VZQVRIMGXSJURT-UHFFFAOYSA-N -2 3 378.374 -1.425 20 0 GAADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cn1ncn(C)c1=O ZINC001592111175 1076179408 /nfs/dbraw/zinc/17/94/08/1076179408.db2.gz VZQVRIMGXSJURT-UHFFFAOYSA-N -2 3 378.374 -1.425 20 0 GAADHL Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c(=O)n1C ZINC001592438702 1076183697 /nfs/dbraw/zinc/18/36/97/1076183697.db2.gz MLEOPUOTBWTAQL-UHFFFAOYSA-N -2 3 392.401 -1.283 20 0 GAADHL Cc1nn(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c(=O)n1C ZINC001592438702 1076183695 /nfs/dbraw/zinc/18/36/95/1076183695.db2.gz MLEOPUOTBWTAQL-UHFFFAOYSA-N -2 3 392.401 -1.283 20 0 GAADHL Cc1nsc(N2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)c1-c1nnn[n-]1 ZINC001592475524 1076184272 /nfs/dbraw/zinc/18/42/72/1076184272.db2.gz WZXDXTXKNVAHMN-UHFFFAOYSA-N -2 3 392.405 -1.017 20 0 GAADHL Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1=O ZINC001592547093 1076185731 /nfs/dbraw/zinc/18/57/31/1076185731.db2.gz GBEUJJRQLIERFZ-UHFFFAOYSA-N -2 3 391.369 -1.768 20 0 GAADHL Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1=O ZINC001592547093 1076185729 /nfs/dbraw/zinc/18/57/29/1076185729.db2.gz GBEUJJRQLIERFZ-UHFFFAOYSA-N -2 3 391.369 -1.768 20 0 GAADHL Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592551681 1076186018 /nfs/dbraw/zinc/18/60/18/1076186018.db2.gz TYHKVQJMZDXMKL-UHFFFAOYSA-N -2 3 394.403 -1.059 20 0 GAADHL Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592551681 1076186015 /nfs/dbraw/zinc/18/60/15/1076186015.db2.gz TYHKVQJMZDXMKL-UHFFFAOYSA-N -2 3 394.403 -1.059 20 0 GAADHL Cn1c(=O)c(-c2nnn[n-]2)c(N2CCC(c3n[n-]c(=O)o3)CC2)n(C)c1=O ZINC001592553349 1076186695 /nfs/dbraw/zinc/18/66/95/1076186695.db2.gz NRQRRCCCGOPXMB-UHFFFAOYSA-N -2 3 375.349 -1.263 20 0 GAADHL Cn1ccc(S(=O)(=O)[N-]c2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)n1 ZINC001592581444 1076190663 /nfs/dbraw/zinc/19/06/63/1076190663.db2.gz DBNHPAHFXABGEA-UHFFFAOYSA-N -2 3 380.394 -1.039 20 0 GAADHL Cn1cnc(S(=O)(=O)NCC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001592588511 1076191901 /nfs/dbraw/zinc/19/19/01/1076191901.db2.gz DVFLBPSBAQFFCS-UHFFFAOYSA-N -2 3 378.374 -1.011 20 0 GAADHL Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001592591608 1076192935 /nfs/dbraw/zinc/19/29/35/1076192935.db2.gz MLRJYRZKMIVSQY-UHFFFAOYSA-N -2 3 378.374 -1.343 20 0 GAADHL Cn1cnn(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001592591608 1076192931 /nfs/dbraw/zinc/19/29/31/1076192931.db2.gz MLRJYRZKMIVSQY-UHFFFAOYSA-N -2 3 378.374 -1.343 20 0 GAADHL Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1=O ZINC001592591684 1076192972 /nfs/dbraw/zinc/19/29/72/1076192972.db2.gz UFUXLMKEYWYEMK-UHFFFAOYSA-N -2 3 392.401 -1.202 20 0 GAADHL Cn1cnn(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1=O ZINC001592591684 1076192969 /nfs/dbraw/zinc/19/29/69/1076192969.db2.gz UFUXLMKEYWYEMK-UHFFFAOYSA-N -2 3 392.401 -1.202 20 0 GAADHL NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2F)O1 ZINC001592733418 1076203110 /nfs/dbraw/zinc/20/31/10/1076203110.db2.gz VODLYFXBMSPCKW-WDEREUQCSA-N -2 3 398.376 -1.015 20 0 GAADHL NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2F)O1 ZINC001592733418 1076203107 /nfs/dbraw/zinc/20/31/07/1076203107.db2.gz VODLYFXBMSPCKW-WDEREUQCSA-N -2 3 398.376 -1.015 20 0 GAADHL NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC001592733503 1076203092 /nfs/dbraw/zinc/20/30/92/1076203092.db2.gz YZAJSSSUROQSEP-WDEREUQCSA-N -2 3 380.386 -1.154 20 0 GAADHL NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC001592733503 1076203090 /nfs/dbraw/zinc/20/30/90/1076203090.db2.gz YZAJSSSUROQSEP-WDEREUQCSA-N -2 3 380.386 -1.154 20 0 GAADHL O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592827885 1076208316 /nfs/dbraw/zinc/20/83/16/1076208316.db2.gz LHDOMRKEHFVRIB-UHFFFAOYSA-N -2 3 395.401 -1.294 20 0 GAADHL O=C(CCC(=O)N1CCOCC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592827885 1076208307 /nfs/dbraw/zinc/20/83/07/1076208307.db2.gz LHDOMRKEHFVRIB-UHFFFAOYSA-N -2 3 395.401 -1.294 20 0 GAADHL O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592836511 1076208404 /nfs/dbraw/zinc/20/84/04/1076208404.db2.gz NOZPLONNXUVSII-UHFFFAOYSA-N -2 3 393.385 -1.004 20 0 GAADHL O=C(CCCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592836511 1076208397 /nfs/dbraw/zinc/20/83/97/1076208397.db2.gz NOZPLONNXUVSII-UHFFFAOYSA-N -2 3 393.385 -1.004 20 0 GAADHL O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592841196 1076208676 /nfs/dbraw/zinc/20/86/76/1076208676.db2.gz CGFWVINVQAKEDX-UHFFFAOYSA-N -2 3 379.358 -1.394 20 0 GAADHL O=C(CCN1C(=O)CCC1=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592841196 1076208671 /nfs/dbraw/zinc/20/86/71/1076208671.db2.gz CGFWVINVQAKEDX-UHFFFAOYSA-N -2 3 379.358 -1.394 20 0 GAADHL O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001592859594 1076210145 /nfs/dbraw/zinc/21/01/45/1076210145.db2.gz OLRKUJACUBHQTR-UHFFFAOYSA-N -2 3 397.399 -1.149 20 0 GAADHL O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592865850 1076213826 /nfs/dbraw/zinc/21/38/26/1076213826.db2.gz HOCBUBQGQGEWMM-UHFFFAOYSA-N -2 3 387.403 -1.898 20 0 GAADHL O=C(CN1CCCS1(=O)=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592865850 1076213820 /nfs/dbraw/zinc/21/38/20/1076213820.db2.gz HOCBUBQGQGEWMM-UHFFFAOYSA-N -2 3 387.403 -1.898 20 0 GAADHL O=C(CN1CCOCC1=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592868412 1076214117 /nfs/dbraw/zinc/21/41/17/1076214117.db2.gz COFHTZVDTJNHHC-UHFFFAOYSA-N -2 3 398.376 -1.189 20 0 GAADHL O=C(CN1CCOCC1=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592868412 1076214113 /nfs/dbraw/zinc/21/41/13/1076214113.db2.gz COFHTZVDTJNHHC-UHFFFAOYSA-N -2 3 398.376 -1.189 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001592935048 1076218384 /nfs/dbraw/zinc/21/83/84/1076218384.db2.gz VDWMOJQVOQHTIV-IUCAKERBSA-N -2 3 384.360 -1.246 20 0 GAADHL O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001592935061 1076218357 /nfs/dbraw/zinc/21/83/57/1076218357.db2.gz VRTOBHVARNXQOO-JZYVYDRUSA-N -2 3 384.360 -1.485 20 0 GAADHL O=C([O-])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001593275378 1076237577 /nfs/dbraw/zinc/23/75/77/1076237577.db2.gz BDPRFVXBMYCLRZ-LLVKDONJSA-N -2 3 396.385 -1.543 20 0 GAADHL O=C([O-])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001593275378 1076237573 /nfs/dbraw/zinc/23/75/73/1076237573.db2.gz BDPRFVXBMYCLRZ-LLVKDONJSA-N -2 3 396.385 -1.543 20 0 GAADHL O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001593275381 1076237547 /nfs/dbraw/zinc/23/75/47/1076237547.db2.gz BDPRFVXBMYCLRZ-NSHDSACASA-N -2 3 396.385 -1.543 20 0 GAADHL O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001593275381 1076237542 /nfs/dbraw/zinc/23/75/42/1076237542.db2.gz BDPRFVXBMYCLRZ-NSHDSACASA-N -2 3 396.385 -1.543 20 0 GAADHL O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593276385 1076237706 /nfs/dbraw/zinc/23/77/06/1076237706.db2.gz MIVMVWSTEISNQK-GFCCVEGCSA-N -2 3 382.402 -1.070 20 0 GAADHL O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593276385 1076237702 /nfs/dbraw/zinc/23/77/02/1076237702.db2.gz MIVMVWSTEISNQK-GFCCVEGCSA-N -2 3 382.402 -1.070 20 0 GAADHL O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001593276386 1076237797 /nfs/dbraw/zinc/23/77/97/1076237797.db2.gz MIVMVWSTEISNQK-LBPRGKRZSA-N -2 3 382.402 -1.070 20 0 GAADHL O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001593276386 1076237794 /nfs/dbraw/zinc/23/77/94/1076237794.db2.gz MIVMVWSTEISNQK-LBPRGKRZSA-N -2 3 382.402 -1.070 20 0 GAADHL O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593276973 1076237564 /nfs/dbraw/zinc/23/75/64/1076237564.db2.gz WGGMUKLEMWLGAG-MRVPVSSYSA-N -2 3 388.431 -1.008 20 0 GAADHL O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593276975 1076237772 /nfs/dbraw/zinc/23/77/72/1076237772.db2.gz WGGMUKLEMWLGAG-QMMMGPOBSA-N -2 3 388.431 -1.008 20 0 GAADHL O=C([O-])CCCNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001593277590 1076237459 /nfs/dbraw/zinc/23/74/59/1076237459.db2.gz DFJBYQMMUGZMBK-UHFFFAOYSA-N -2 3 388.388 -1.109 20 0 GAADHL O=C([O-])CCCNC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001593277590 1076237454 /nfs/dbraw/zinc/23/74/54/1076237454.db2.gz DFJBYQMMUGZMBK-UHFFFAOYSA-N -2 3 388.388 -1.109 20 0 GAADHL O=C([O-])CCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001593278106 1076237689 /nfs/dbraw/zinc/23/76/89/1076237689.db2.gz QZNJOWDNZZZIGL-UHFFFAOYSA-N -2 3 388.388 -1.109 20 0 GAADHL O=C([O-])CCCNC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001593278106 1076237683 /nfs/dbraw/zinc/23/76/83/1076237683.db2.gz QZNJOWDNZZZIGL-UHFFFAOYSA-N -2 3 388.388 -1.109 20 0 GAADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001593370499 1076239391 /nfs/dbraw/zinc/23/93/91/1076239391.db2.gz BFXYEUJMYOTNLL-IUCAKERBSA-N -2 3 382.344 -1.039 20 0 GAADHL O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001593370499 1076239387 /nfs/dbraw/zinc/23/93/87/1076239387.db2.gz BFXYEUJMYOTNLL-IUCAKERBSA-N -2 3 382.344 -1.039 20 0 GAADHL CN1CCN(CCN(CC(=O)[O-])C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001598615291 993867458 /nfs/dbraw/zinc/86/74/58/993867458.db2.gz BEVYXSSAXARNCP-UHFFFAOYSA-N -2 3 379.417 -1.322 20 0 GAADHL CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001598639888 994302115 /nfs/dbraw/zinc/30/21/15/994302115.db2.gz ZURXFYOIWGVCIK-SSDOTTSWSA-N -2 3 376.416 -1.143 20 0 GAADHL CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001598639889 994302010 /nfs/dbraw/zinc/30/20/10/994302010.db2.gz ZURXFYOIWGVCIK-ZETCQYMHSA-N -2 3 376.416 -1.143 20 0 GAADHL COC(=O)C1([N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCS(=O)(=O)CC1 ZINC001598723782 970565187 /nfs/dbraw/zinc/56/51/87/970565187.db2.gz DFHTYRDTQZCYBF-UHFFFAOYSA-N -2 3 398.459 -1.262 20 0 GAADHL CS(=O)(=O)N1CCN(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001599756647 992062866 /nfs/dbraw/zinc/06/28/66/992062866.db2.gz DEBDXSBPKKMNLZ-UHFFFAOYSA-N -2 3 398.488 -1.303 20 0 GAADHL C[C@H](NC(=O)[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC001599895929 984752766 /nfs/dbraw/zinc/75/27/66/984752766.db2.gz KSVGJJLFZDUHMS-WDSKDSINSA-N -2 3 391.178 -1.195 20 0 GAADHL Cn1ncc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1I ZINC001601029188 1076264522 /nfs/dbraw/zinc/26/45/22/1076264522.db2.gz XMLLMAQKKPYPQN-BYPYZUCNSA-N -2 3 375.144 -1.252 20 0 GAADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC001602556318 1076271688 /nfs/dbraw/zinc/27/16/88/1076271688.db2.gz HMVWQITWAFQHCT-GHMZBOCLSA-N -2 3 394.427 -1.246 20 0 GAADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC001602556319 1076271539 /nfs/dbraw/zinc/27/15/39/1076271539.db2.gz HMVWQITWAFQHCT-MNOVXSKESA-N -2 3 394.427 -1.246 20 0 GAADHL 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