smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359275309 1069311972 /nfs/dbraw/zinc/31/19/72/1069311972.db2.gz PQSPPZKGYFMGRP-UHFFFAOYSA-N 1 1 452.691 4.128 20 30 JIEDMO C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001359275309 1069311974 /nfs/dbraw/zinc/31/19/74/1069311974.db2.gz PQSPPZKGYFMGRP-UHFFFAOYSA-N 1 1 452.691 4.128 20 30 JIEDMO C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001359275309 1069311990 /nfs/dbraw/zinc/31/19/90/1069311990.db2.gz PQSPPZKGYFMGRP-UHFFFAOYSA-N 1 1 452.691 4.128 20 30 JIEDMO C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001359308071 1069348533 /nfs/dbraw/zinc/34/85/33/1069348533.db2.gz CMKMXNAQYYKJQH-UHFFFAOYSA-N 1 1 466.655 4.167 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300657926 1069359806 /nfs/dbraw/zinc/35/98/06/1069359806.db2.gz VBVSAFFLEGHNEM-JOCHJYFZSA-N 1 1 460.626 4.152 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001359314072 1069359902 /nfs/dbraw/zinc/35/99/02/1069359902.db2.gz VTOQYTLVVJRBPM-WOIUINJBSA-N 1 1 460.022 4.195 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001359326056 1069382502 /nfs/dbraw/zinc/38/25/02/1069382502.db2.gz RRZLTKQTHVFYOZ-IFMALSPDSA-N 1 1 460.022 4.166 20 30 JIEDMO C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001359342486 1069407262 /nfs/dbraw/zinc/40/72/62/1069407262.db2.gz YWJYICUPYUPGMD-PWRODBHTSA-N 1 1 492.734 4.231 20 30 JIEDMO C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359344043 1069410642 /nfs/dbraw/zinc/41/06/42/1069410642.db2.gz JPYOLCQRVIYZQR-UHFFFAOYSA-N 1 1 466.630 4.035 20 30 JIEDMO CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC001359467222 1069605028 /nfs/dbraw/zinc/60/50/28/1069605028.db2.gz ONRIAQGTZWRDGG-CRRLPVGBSA-N 1 1 494.684 4.217 20 30 JIEDMO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001359469514 1069615045 /nfs/dbraw/zinc/61/50/45/1069615045.db2.gz GPCVBSZKQXILSH-IRXDYDNUSA-N 1 1 465.429 4.349 20 30 JIEDMO C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359474984 1069628302 /nfs/dbraw/zinc/62/83/02/1069628302.db2.gz ZWGHPIUIUINUIZ-WMZHIEFXSA-N 1 1 452.603 4.041 20 30 JIEDMO CC(C)[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC001359476688 1069633821 /nfs/dbraw/zinc/63/38/21/1069633821.db2.gz IYLLBASWXDOGMO-QPPBQGQZSA-N 1 1 482.673 4.107 20 30 JIEDMO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N)[N@H+]1CCC[C@@H](C)C1 ZINC001359477096 1069636847 /nfs/dbraw/zinc/63/68/47/1069636847.db2.gz QVFJRUJBAKWREB-GUDVDZBRSA-N 1 1 489.462 4.336 20 30 JIEDMO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359477696 1069639229 /nfs/dbraw/zinc/63/92/29/1069639229.db2.gz DCCUMZDSTDQIMW-GNLZIIPMSA-N 1 1 464.658 4.457 20 30 JIEDMO CC(C)(C)CCCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359545365 1069848301 /nfs/dbraw/zinc/84/83/01/1069848301.db2.gz RNHNMZKYOAMRRO-UHFFFAOYSA-N 1 1 458.614 4.145 20 30 JIEDMO COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001315521943 1064489011 /nfs/dbraw/zinc/48/90/11/1064489011.db2.gz DBCCHBZRSROGJP-QHAWAJNXSA-N 1 1 468.646 4.361 20 30 JIEDMO COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001315891899 1065352019 /nfs/dbraw/zinc/35/20/19/1065352019.db2.gz BSJMHYRQOKHOCD-GMAHTHKFSA-N 1 1 450.631 4.192 20 30 JIEDMO COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001315892172 1065352568 /nfs/dbraw/zinc/35/25/68/1065352568.db2.gz SOXPNIWRHYYTFW-QFIPXVFZSA-N 1 1 450.631 4.334 20 30 JIEDMO COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315894125 1065358143 /nfs/dbraw/zinc/35/81/43/1065358143.db2.gz ZZDXVZQTSKSTHW-ZDXQCDESSA-N 1 1 464.658 4.438 20 30 JIEDMO COCC[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 ZINC001316066123 1065704523 /nfs/dbraw/zinc/70/45/23/1065704523.db2.gz VLRZMPDFMNCGLB-NRFANRHFSA-N 1 1 450.612 4.188 20 30 JIEDMO COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001316099779 1065766195 /nfs/dbraw/zinc/76/61/95/1065766195.db2.gz LQCLSBIUXKHWIP-LJQANCHMSA-N 1 1 489.462 4.194 20 30 JIEDMO COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001316100041 1065766783 /nfs/dbraw/zinc/76/67/83/1065766783.db2.gz QCTOQYUVQOUCMC-IFMALSPDSA-N 1 1 475.641 4.289 20 30 JIEDMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001316218487 1065929559 /nfs/dbraw/zinc/92/95/59/1065929559.db2.gz YBSCWUHHUAGCCU-QUVATAORSA-N 1 1 480.657 4.193 20 30 JIEDMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)CC1 ZINC001326129075 1066286610 /nfs/dbraw/zinc/28/66/10/1066286610.db2.gz JMRQXSKDZVZFGC-UHFFFAOYSA-N 1 1 455.562 4.420 20 30 JIEDMO C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001316480627 1066395101 /nfs/dbraw/zinc/39/51/01/1066395101.db2.gz SQMITMSJZGNGIC-FQEVSTJZSA-N 1 1 450.631 4.333 20 30 JIEDMO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300690098 1067036151 /nfs/dbraw/zinc/03/61/51/1067036151.db2.gz BABGHLDQVKQOIH-LJQANCHMSA-N 1 1 475.468 4.128 20 30 JIEDMO Cc1ccc(NC(=O)c2cccc(C#N)c2Br)cc1NC(=O)C[NH+]1CCCCC1 ZINC001351739406 1067185555 /nfs/dbraw/zinc/18/55/55/1067185555.db2.gz SCSZUHDYATZVLD-UHFFFAOYSA-N 1 1 455.356 4.306 20 30 JIEDMO C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001300740809 1067223606 /nfs/dbraw/zinc/22/36/06/1067223606.db2.gz DYKOKRCGCBSMOX-URXFXBBRSA-N 1 1 451.684 4.497 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+](CC)CCC ZINC001300790189 1067359817 /nfs/dbraw/zinc/35/98/17/1067359817.db2.gz LPGSSTHVYFZFPT-HSZRJFAPSA-N 1 1 474.447 4.440 20 30 JIEDMO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC001300030232 1067417789 /nfs/dbraw/zinc/41/77/89/1067417789.db2.gz DEGJCDLSGIFDNB-FQEVSTJZSA-N 1 1 466.630 4.357 20 30 JIEDMO CCCCCCCCCCNC(=S)N1CCC([NH+]2CCC(N3CCN(C)CC3)CC2)CC1 ZINC001200217709 1067853396 /nfs/dbraw/zinc/85/33/96/1067853396.db2.gz YZEZEKYJMVFQNG-UHFFFAOYSA-N 1 1 465.796 4.178 20 30 JIEDMO COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300265555 1068036068 /nfs/dbraw/zinc/03/60/68/1068036068.db2.gz YSVSRDWIWUYHKV-HBMCJLEFSA-N 1 1 468.646 4.218 20 30 JIEDMO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001300273069 1068054882 /nfs/dbraw/zinc/05/48/82/1068054882.db2.gz SVYPFGJVNYRRSP-UHFFFAOYSA-N 1 1 466.630 4.260 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300286381 1068086233 /nfs/dbraw/zinc/08/62/33/1068086233.db2.gz JDNIYMAGLIOHJU-FUHWJXTLSA-N 1 1 450.414 4.067 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300298364 1068133080 /nfs/dbraw/zinc/13/30/80/1068133080.db2.gz BLVFQCOHUUSLGL-FGZHOGPDSA-N 1 1 489.668 4.062 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300299151 1068136739 /nfs/dbraw/zinc/13/67/39/1068136739.db2.gz LTPANGDYJFFTDN-BHIFYINESA-N 1 1 459.642 4.345 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001300302912 1068147283 /nfs/dbraw/zinc/14/72/83/1068147283.db2.gz FINZPGWRMCGSMW-YADHBBJMSA-N 1 1 489.668 4.178 20 30 JIEDMO N#Cc1ccc(CSc2nnc(NC(=O)N3CC[NH+](CCc4ccccc4)CC3)s2)cc1 ZINC000510234378 1068161569 /nfs/dbraw/zinc/16/15/69/1068161569.db2.gz AQSHGDVBGXAJHZ-UHFFFAOYSA-N 1 1 464.620 4.094 20 30 JIEDMO C[N@@H+](CCCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000510246605 1068166765 /nfs/dbraw/zinc/16/67/65/1068166765.db2.gz TYZGHLRCESZXOS-UHFFFAOYSA-N 1 1 452.609 4.346 20 30 JIEDMO CCCCCCCCCNC(=S)N1CCC[C@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001200372778 1068291878 /nfs/dbraw/zinc/29/18/78/1068291878.db2.gz NWSMHOZOAUIJOK-VWLOTQADSA-N 1 1 476.735 4.087 20 30 JIEDMO C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001300341378 1068327748 /nfs/dbraw/zinc/32/77/48/1068327748.db2.gz GKOISGPXJGOJHV-UHFFFAOYSA-N 1 1 473.463 4.304 20 30 JIEDMO C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001300342196 1068330793 /nfs/dbraw/zinc/33/07/93/1068330793.db2.gz QTFKGIZIHWSXSV-FGZHOGPDSA-N 1 1 451.615 4.295 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[N@H+]1CCCC[C@H]1C ZINC001358876907 1068374851 /nfs/dbraw/zinc/37/48/51/1068374851.db2.gz SSURYVQJYYXKRG-ZWKOTPCHSA-N 1 1 474.447 4.439 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001358898826 1068394489 /nfs/dbraw/zinc/39/44/89/1068394489.db2.gz BALXVOZJQUOJLG-HKBOAZHASA-N 1 1 472.678 4.319 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001358899441 1068395478 /nfs/dbraw/zinc/39/54/78/1068395478.db2.gz NGTZQITWOKIJOH-PWRODBHTSA-N 1 1 455.672 4.225 20 30 JIEDMO C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358906337 1068416104 /nfs/dbraw/zinc/41/61/04/1068416104.db2.gz FAEDGXVIZBRTDT-PCCBWWKXSA-N 1 1 469.699 4.480 20 30 JIEDMO C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358906337 1068416112 /nfs/dbraw/zinc/41/61/12/1068416112.db2.gz FAEDGXVIZBRTDT-PCCBWWKXSA-N 1 1 469.699 4.480 20 30 JIEDMO C#CCCCCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001358913936 1068436975 /nfs/dbraw/zinc/43/69/75/1068436975.db2.gz CVKURACMLXITTA-BKMJKUGQSA-N 1 1 477.632 4.064 20 30 JIEDMO C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001358924409 1068468462 /nfs/dbraw/zinc/46/84/62/1068468462.db2.gz VWIIHUAIMKSQBG-GOSISDBHSA-N 1 1 474.447 4.298 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001358972238 1068516260 /nfs/dbraw/zinc/51/62/60/1068516260.db2.gz YQFRYJLWSJDIHJ-IBGZPJMESA-N 1 1 486.433 4.432 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@@H+](C)Cc1ccccc1 ZINC001358972797 1068518793 /nfs/dbraw/zinc/51/87/93/1068518793.db2.gz TWKNOCHEXAFVKU-OAQYLSRUSA-N 1 1 457.647 4.336 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001358988365 1068547032 /nfs/dbraw/zinc/54/70/32/1068547032.db2.gz MFWQNAIASHMJDR-SFHVURJKSA-N 1 1 474.472 4.352 20 30 JIEDMO C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359004881 1068580181 /nfs/dbraw/zinc/58/01/81/1068580181.db2.gz NJJBAFRBEZJLJV-UHFFFAOYSA-N 1 1 479.650 4.320 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1 ZINC001359016139 1068598277 /nfs/dbraw/zinc/59/82/77/1068598277.db2.gz QYJGMXIYSSSFLO-UHFFFAOYSA-N 1 1 450.949 4.034 20 30 JIEDMO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001359049748 1068669823 /nfs/dbraw/zinc/66/98/23/1068669823.db2.gz VNTFEPWIKXZGCW-FGZHOGPDSA-N 1 1 453.656 4.076 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001359066637 1068713708 /nfs/dbraw/zinc/71/37/08/1068713708.db2.gz IJCDVVLBZYQKNZ-UFHPHHKVSA-N 1 1 463.670 4.472 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359067549 1068717761 /nfs/dbraw/zinc/71/77/61/1068717761.db2.gz SJWFAUWAEDQPKP-KDYSTLNUSA-N 1 1 465.642 4.465 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359078649 1068741435 /nfs/dbraw/zinc/74/14/35/1068741435.db2.gz KBKRNVIGUBJZBV-KDURUIRLSA-N 1 1 499.457 4.051 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001359078624 1068741479 /nfs/dbraw/zinc/74/14/79/1068741479.db2.gz JITGEMWKTBXUJB-UHFFFAOYSA-N 1 1 455.404 4.180 20 30 JIEDMO C=C(Br)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001359078739 1068742089 /nfs/dbraw/zinc/74/20/89/1068742089.db2.gz MDTCKNQFIDQGHK-QGZVFWFLSA-N 1 1 494.503 4.341 20 30 JIEDMO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001359083326 1068757886 /nfs/dbraw/zinc/75/78/86/1068757886.db2.gz HTYUHOWMYIFDTE-VQTJNVASSA-N 1 1 460.420 4.139 20 30 JIEDMO C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359085759 1068765467 /nfs/dbraw/zinc/76/54/67/1068765467.db2.gz YIBKAQDBUDPLBO-UHFFFAOYSA-N 1 1 464.427 4.473 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001359093513 1068794838 /nfs/dbraw/zinc/79/48/38/1068794838.db2.gz OQDHIRRSXXPCPU-SFLYRZDNSA-N 1 1 453.631 4.103 20 30 JIEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359101343 1068805920 /nfs/dbraw/zinc/80/59/20/1068805920.db2.gz NGPVQCWLAZYZBP-XUZZJYLKSA-N 1 1 458.050 4.424 20 30 JIEDMO 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ZINC001300331672 1068277547 /nfs/dbraw/zinc/27/75/47/1068277547.db2.gz OESDWLRZOVYACQ-HSZRJFAPSA-N 1 1 474.609 4.167 20 30 JIEDMO C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001300340967 1068325251 /nfs/dbraw/zinc/32/52/51/1068325251.db2.gz AKVPUJIQFKCOTR-LJQANCHMSA-N 1 1 486.458 4.201 20 30 JIEDMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001353592608 1068357075 /nfs/dbraw/zinc/35/70/75/1068357075.db2.gz GZUJVSDYXLIPIV-MRXNPFEDSA-N 1 1 453.424 4.063 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001358877412 1068375379 /nfs/dbraw/zinc/37/53/79/1068375379.db2.gz DGWFTUIIJQHKIL-INIZCTEOSA-N 1 1 470.440 4.285 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358899675 1068396592 /nfs/dbraw/zinc/39/65/92/1068396592.db2.gz RUWAWLUCKJZFQT-QRVBRYPASA-N 1 1 462.063 4.181 20 30 JIEDMO C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001358906797 1068417588 /nfs/dbraw/zinc/41/75/88/1068417588.db2.gz TXYQHSFNJJRLTJ-DENIHFKCSA-N 1 1 486.458 4.058 20 30 JIEDMO C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001358907726 1068423850 /nfs/dbraw/zinc/42/38/50/1068423850.db2.gz YQNOVQFCNYFZQD-XMMPIXPASA-N 1 1 486.458 4.121 20 30 JIEDMO C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001358941113 1068492858 /nfs/dbraw/zinc/49/28/58/1068492858.db2.gz YROJSWJEVMFKAA-QGZVFWFLSA-N 1 1 455.404 4.016 20 30 JIEDMO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001358978092 1068526168 /nfs/dbraw/zinc/52/61/68/1068526168.db2.gz CULAMQKOFBJXLW-RPWUZVMVSA-N 1 1 496.700 4.120 20 30 JIEDMO C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001358982029 1068528706 /nfs/dbraw/zinc/52/87/06/1068528706.db2.gz GYQZKGNNIBRFLY-UHFFFAOYSA-N 1 1 461.654 4.484 20 30 JIEDMO C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001358983286 1068531671 /nfs/dbraw/zinc/53/16/71/1068531671.db2.gz BVWPNFVFYLZNLW-SFHVURJKSA-N 1 1 450.999 4.071 20 30 JIEDMO C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001358983705 1068532264 /nfs/dbraw/zinc/53/22/64/1068532264.db2.gz SFIISYKRBRGFMH-UHFFFAOYSA-N 1 1 461.660 4.071 20 30 JIEDMO C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001358983705 1068532288 /nfs/dbraw/zinc/53/22/88/1068532288.db2.gz SFIISYKRBRGFMH-UHFFFAOYSA-N 1 1 461.660 4.071 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001358986728 1068537937 /nfs/dbraw/zinc/53/79/37/1068537937.db2.gz FZADIBAMXNKNRO-FYYLOGMGSA-N 1 1 454.622 4.385 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[N@H+]1CCC[C@H]1C ZINC001358986822 1068538769 /nfs/dbraw/zinc/53/87/69/1068538769.db2.gz IJLALMHYMDAYKW-JOCHJYFZSA-N 1 1 454.622 4.300 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001358988079 1068544687 /nfs/dbraw/zinc/54/46/87/1068544687.db2.gz BOLGYYSBROPHNR-QFIPXVFZSA-N 1 1 480.454 4.496 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[N@H+](CCC)C1 ZINC001358988180 1068545463 /nfs/dbraw/zinc/54/54/63/1068545463.db2.gz GMGGNBJIRXXPAQ-HXUWFJFHSA-N 1 1 468.443 4.211 20 30 JIEDMO C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001358996494 1068560800 /nfs/dbraw/zinc/56/08/00/1068560800.db2.gz HNHNYDAUUDEDFB-VWLOTQADSA-N 1 1 459.638 4.160 20 30 JIEDMO C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001358998039 1068565401 /nfs/dbraw/zinc/56/54/01/1068565401.db2.gz NSYPUVNIWRRVJU-RUZDIDTESA-N 1 1 459.638 4.426 20 30 JIEDMO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359002926 1068575331 /nfs/dbraw/zinc/57/53/31/1068575331.db2.gz RVLHTDFAOZAEBI-IRXDYDNUSA-N 1 1 462.411 4.427 20 30 JIEDMO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359004552 1068579194 /nfs/dbraw/zinc/57/91/94/1068579194.db2.gz AQIYPSYDXFHHMF-IAGOWNOFSA-N 1 1 462.411 4.427 20 30 JIEDMO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001359014410 1068592359 /nfs/dbraw/zinc/59/23/59/1068592359.db2.gz INCUVRLTUIESKU-QHCPKHFHSA-N 1 1 480.657 4.332 20 30 JIEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1)C(C)C ZINC001300414557 1068604579 /nfs/dbraw/zinc/60/45/79/1068604579.db2.gz PWIZIYYNAHFXOE-UHFFFAOYSA-N 1 1 456.594 4.141 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359019639 1068611876 /nfs/dbraw/zinc/61/18/76/1068611876.db2.gz ATNFKBMILQXLHA-PWRODBHTSA-N 1 1 469.699 4.338 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@@H+](C)C1CCCC1 ZINC001359020789 1068619727 /nfs/dbraw/zinc/61/97/27/1068619727.db2.gz QEPRNFJFSYJKLS-UHFFFAOYSA-N 1 1 494.865 4.321 20 30 JIEDMO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001359030343 1068636941 /nfs/dbraw/zinc/63/69/41/1068636941.db2.gz UJFSXHHGEKLSBD-FYYLOGMGSA-N 1 1 485.076 4.091 20 30 JIEDMO C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001359049667 1068669724 /nfs/dbraw/zinc/66/97/24/1068669724.db2.gz UGOCEXFUILVZHB-UXHICEINSA-N 1 1 471.646 4.234 20 30 JIEDMO C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001359050931 1068675518 /nfs/dbraw/zinc/67/55/18/1068675518.db2.gz HPPQEVNBZGQCTB-GOSISDBHSA-N 1 1 475.609 4.224 20 30 JIEDMO C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001359058687 1068693884 /nfs/dbraw/zinc/69/38/84/1068693884.db2.gz MTFWMNZXVGYDLU-IBGZPJMESA-N 1 1 469.655 4.319 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001359065964 1068710930 /nfs/dbraw/zinc/71/09/30/1068710930.db2.gz JFAONOBTXNMTMY-LJQANCHMSA-N 1 1 487.368 4.302 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001359066528 1068713040 /nfs/dbraw/zinc/71/30/40/1068713040.db2.gz FHLQTDRIYGPFQJ-MHECFPHRSA-N 1 1 475.468 4.270 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001359066919 1068714685 /nfs/dbraw/zinc/71/46/85/1068714685.db2.gz UXGHLVVMXNIHTB-NBGIEHNGSA-N 1 1 450.587 4.358 20 30 JIEDMO C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001359077083 1068734852 /nfs/dbraw/zinc/73/48/52/1068734852.db2.gz UFFGGTAMKBUVCK-KRWDZBQOSA-N 1 1 462.436 4.339 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001359079236 1068744983 /nfs/dbraw/zinc/74/49/83/1068744983.db2.gz BYOYQBKMXFINHC-DEOSSOPVSA-N 1 1 488.474 4.452 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359079915 1068749002 /nfs/dbraw/zinc/74/90/02/1068749002.db2.gz ZQGHADMZTZAAQA-QFBILLFUSA-N 1 1 480.838 4.054 20 30 JIEDMO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001300458885 1068787503 /nfs/dbraw/zinc/78/75/03/1068787503.db2.gz NINBMBBICQZFBV-NRFANRHFSA-N 1 1 472.678 4.117 20 30 JIEDMO C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359105165 1068813761 /nfs/dbraw/zinc/81/37/61/1068813761.db2.gz KTVWICWHIXVIIU-PXDATVDWSA-N 1 1 485.698 4.481 20 30 JIEDMO C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300471510 1068813727 /nfs/dbraw/zinc/81/37/27/1068813727.db2.gz FGLDNWVFASRRPQ-QFIPXVFZSA-N 1 1 458.050 4.441 20 30 JIEDMO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001300473020 1068816929 /nfs/dbraw/zinc/81/69/29/1068816929.db2.gz MQAIKYPJKNEVQU-LJQANCHMSA-N 1 1 474.447 4.344 20 30 JIEDMO C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001359108146 1068818239 /nfs/dbraw/zinc/81/82/39/1068818239.db2.gz CPSWJBGKJBMAQN-UHFFFAOYSA-N 1 1 481.402 4.376 20 30 JIEDMO C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+]1CC ZINC001359111475 1068821562 /nfs/dbraw/zinc/82/15/62/1068821562.db2.gz CDLZIHKWQHJMQS-FQEVSTJZSA-N 1 1 463.630 4.123 20 30 JIEDMO C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001300475997 1068824980 /nfs/dbraw/zinc/82/49/80/1068824980.db2.gz UULGJEKZRNGLPS-MBSDFSHPSA-N 1 1 453.587 4.210 20 30 JIEDMO C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001359115624 1068825269 /nfs/dbraw/zinc/82/52/69/1068825269.db2.gz HAFJPDOOTBJIHO-SFTDATJTSA-N 1 1 471.650 4.216 20 30 JIEDMO C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001359115624 1068825270 /nfs/dbraw/zinc/82/52/70/1068825270.db2.gz HAFJPDOOTBJIHO-SFTDATJTSA-N 1 1 471.650 4.216 20 30 JIEDMO C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001300476225 1068825674 /nfs/dbraw/zinc/82/56/74/1068825674.db2.gz ZGFWILLWAOOAPG-CYFREDJKSA-N 1 1 465.623 4.080 20 30 JIEDMO C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001359128703 1068839795 /nfs/dbraw/zinc/83/97/95/1068839795.db2.gz CYBQSAZCAZOYDH-XUZZJYLKSA-N 1 1 498.075 4.444 20 30 JIEDMO C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359129085 1068840077 /nfs/dbraw/zinc/84/00/77/1068840077.db2.gz QMGZSQLPPJORDT-LAUBAEHRSA-N 1 1 480.440 4.002 20 30 JIEDMO C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359168693 1068879283 /nfs/dbraw/zinc/87/92/83/1068879283.db2.gz FJXBMVDCUUTQBQ-SZPZYZBQSA-N 1 1 453.631 4.390 20 30 JIEDMO C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001359172711 1068884472 /nfs/dbraw/zinc/88/44/72/1068884472.db2.gz FXMIGCQFGQPZDV-NRFANRHFSA-N 1 1 480.016 4.284 20 30 JIEDMO C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001359174705 1068887109 /nfs/dbraw/zinc/88/71/09/1068887109.db2.gz MNXVOHRGIBSIMW-UHFFFAOYSA-N 1 1 458.408 4.423 20 30 JIEDMO C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001359175824 1068888827 /nfs/dbraw/zinc/88/88/27/1068888827.db2.gz BDHGUYSJWNISGM-JOCHJYFZSA-N 1 1 467.658 4.493 20 30 JIEDMO C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001359181764 1068904876 /nfs/dbraw/zinc/90/48/76/1068904876.db2.gz HEUSCFYVPFMWPT-DEOSSOPVSA-N 1 1 467.658 4.179 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300519949 1068908807 /nfs/dbraw/zinc/90/88/07/1068908807.db2.gz BIHWJIVDVBVZBB-AZUAARDMSA-N 1 1 468.443 4.209 20 30 JIEDMO C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359183999 1068910637 /nfs/dbraw/zinc/91/06/37/1068910637.db2.gz ZGNHXETYIQSEAW-ZRCGQRJVSA-N 1 1 471.621 4.316 20 30 JIEDMO C=CC[C@H](Cn1c(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001359195382 1068960882 /nfs/dbraw/zinc/96/08/82/1068960882.db2.gz LMJNTCDLRCXQKF-QPTUXGOLSA-N 1 1 451.659 4.483 20 30 JIEDMO C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300541257 1068973584 /nfs/dbraw/zinc/97/35/84/1068973584.db2.gz ONPYZJKDCGIIQT-XUZZJYLKSA-N 1 1 472.662 4.007 20 30 JIEDMO C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359206103 1068984955 /nfs/dbraw/zinc/98/49/55/1068984955.db2.gz UNZDPTDHFWKDFM-HXUWFJFHSA-N 1 1 457.594 4.042 20 30 JIEDMO C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001359208646 1068987742 /nfs/dbraw/zinc/98/77/42/1068987742.db2.gz QTBDLYOJNPKLGQ-PKTZIBPZSA-N 1 1 453.631 4.302 20 30 JIEDMO C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001359211317 1068995444 /nfs/dbraw/zinc/99/54/44/1068995444.db2.gz YNURAJXGBFIUOL-NQIIRXRSSA-N 1 1 474.447 4.139 20 30 JIEDMO C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001359222968 1069012169 /nfs/dbraw/zinc/01/21/69/1069012169.db2.gz XETDWCFMNLRMIO-IRXDYDNUSA-N 1 1 480.426 4.358 20 30 JIEDMO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359238140 1069038875 /nfs/dbraw/zinc/03/88/75/1069038875.db2.gz AGYFRMCBRATAFG-BGYRXZFFSA-N 1 1 477.657 4.054 20 30 JIEDMO C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359239593 1069040052 /nfs/dbraw/zinc/04/00/52/1069040052.db2.gz RWKUXBFEENFNTP-YADHBBJMSA-N 1 1 474.694 4.383 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300571355 1069079422 /nfs/dbraw/zinc/07/94/22/1069079422.db2.gz CMEMYRMVHWTXST-QHCPKHFHSA-N 1 1 454.622 4.468 20 30 JIEDMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849503875 1069083213 /nfs/dbraw/zinc/08/32/13/1069083213.db2.gz MFJYDRJGTDQQAJ-KAYWLYCHSA-N 1 1 473.596 4.474 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300572633 1069084380 /nfs/dbraw/zinc/08/43/80/1069084380.db2.gz YRLOVWXXVSRIQN-HSZRJFAPSA-N 1 1 454.622 4.324 20 30 JIEDMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516577 1069102739 /nfs/dbraw/zinc/10/27/39/1069102739.db2.gz KORGQIODDHKQGR-VJGNERBWSA-N 1 1 471.605 4.194 20 30 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JIEDMO C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001300348495 1068352638 /nfs/dbraw/zinc/35/26/38/1068352638.db2.gz NACLXOMRUXJXNP-UHFFFAOYSA-N 1 1 496.059 4.083 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001358871505 1068365063 /nfs/dbraw/zinc/36/50/63/1068365063.db2.gz GLADKTGSGMVORB-UXHICEINSA-N 1 1 474.049 4.257 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001358871505 1068365073 /nfs/dbraw/zinc/36/50/73/1068365073.db2.gz GLADKTGSGMVORB-UXHICEINSA-N 1 1 474.049 4.257 20 30 JIEDMO C#CCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001358918174 1068451034 /nfs/dbraw/zinc/45/10/34/1068451034.db2.gz MRIUURKDFFRSPS-SZPZYZBQSA-N 1 1 484.689 4.307 20 30 JIEDMO C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358934486 1068482178 /nfs/dbraw/zinc/48/21/78/1068482178.db2.gz CQOTZJNOLNYISR-HDICACEKSA-N 1 1 480.440 4.123 20 30 JIEDMO C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358934486 1068482188 /nfs/dbraw/zinc/48/21/88/1068482188.db2.gz CQOTZJNOLNYISR-HDICACEKSA-N 1 1 480.440 4.123 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001358971504 1068513886 /nfs/dbraw/zinc/51/38/86/1068513886.db2.gz YIMWSJNVVWFVAY-FQEVSTJZSA-N 1 1 482.053 4.243 20 30 JIEDMO C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001300392511 1068515494 /nfs/dbraw/zinc/51/54/94/1068515494.db2.gz YXIKMBZBHXJQNU-UHFFFAOYSA-N 1 1 456.015 4.404 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001358973432 1068520848 /nfs/dbraw/zinc/52/08/48/1068520848.db2.gz RKOBFRGETSKNSF-PMACEKPBSA-N 1 1 498.027 4.354 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001358973432 1068520861 /nfs/dbraw/zinc/52/08/61/1068520861.db2.gz RKOBFRGETSKNSF-PMACEKPBSA-N 1 1 498.027 4.354 20 30 JIEDMO 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C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001358998392 1068566713 /nfs/dbraw/zinc/56/67/13/1068566713.db2.gz CXWNGADHVQYWBK-UHFFFAOYSA-N 1 1 491.705 4.377 20 30 JIEDMO C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359001349 1068570875 /nfs/dbraw/zinc/57/08/75/1068570875.db2.gz RKQUBAHCPWNTOB-ZCNNSNEGSA-N 1 1 474.049 4.419 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359017556 1068603808 /nfs/dbraw/zinc/60/38/08/1068603808.db2.gz JOABGQOVPQZPOH-XMMPIXPASA-N 1 1 460.601 4.163 20 30 JIEDMO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001359030063 1068635095 /nfs/dbraw/zinc/63/50/95/1068635095.db2.gz NHYIBQMOCKOSSI-GMAHTHKFSA-N 1 1 485.076 4.091 20 30 JIEDMO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001359030346 1068638369 /nfs/dbraw/zinc/63/83/69/1068638369.db2.gz UJFSXHHGEKLSBD-JTHBVZDNSA-N 1 1 485.076 4.091 20 30 JIEDMO C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001359049749 1068669626 /nfs/dbraw/zinc/66/96/26/1068669626.db2.gz VNTFEPWIKXZGCW-VXKWHMMOSA-N 1 1 453.656 4.076 20 30 JIEDMO C#CCSCCn1c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nnc1C(C)(C)C ZINC001359061667 1068699908 /nfs/dbraw/zinc/69/99/08/1068699908.db2.gz JBHFFKKUPJPGAJ-UHFFFAOYSA-N 1 1 451.684 4.435 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359063563 1068704783 /nfs/dbraw/zinc/70/47/83/1068704783.db2.gz XLCWIBXJBRUGCG-HXVQJGFHSA-N 1 1 490.696 4.489 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CCC[C@H]1C ZINC001359067643 1068717551 /nfs/dbraw/zinc/71/75/51/1068717551.db2.gz WILRWRVGKHENBA-OPAMFIHVSA-N 1 1 460.395 4.323 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001359074598 1068731093 /nfs/dbraw/zinc/73/10/93/1068731093.db2.gz JVEUOKFTLBBQPW-WNCULLNHSA-N 1 1 480.726 4.145 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001359079183 1068744100 /nfs/dbraw/zinc/74/41/00/1068744100.db2.gz AHVKOZQEGWNDNJ-OAHLLOKOSA-N 1 1 453.816 4.070 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC001359079543 1068745955 /nfs/dbraw/zinc/74/59/55/1068745955.db2.gz NABJADIKXSRKSY-IBGZPJMESA-N 1 1 482.854 4.444 20 30 JIEDMO C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359085002 1068762955 /nfs/dbraw/zinc/76/29/55/1068762955.db2.gz YJRMFLSGMKYCHN-XMMPIXPASA-N 1 1 488.474 4.257 20 30 JIEDMO C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359085002 1068762975 /nfs/dbraw/zinc/76/29/75/1068762975.db2.gz YJRMFLSGMKYCHN-XMMPIXPASA-N 1 1 488.474 4.257 20 30 JIEDMO C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001359085289 1068764263 /nfs/dbraw/zinc/76/42/63/1068764263.db2.gz IJZPUXUKVJWEJI-JOCHJYFZSA-N 1 1 481.442 4.131 20 30 JIEDMO 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C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001359108143 1068817878 /nfs/dbraw/zinc/81/78/78/1068817878.db2.gz CNGCXYLZUSUENE-SFHVURJKSA-N 1 1 466.586 4.147 20 30 JIEDMO C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001359111843 1068821929 /nfs/dbraw/zinc/82/19/29/1068821929.db2.gz PBHHVJJMCNWBRR-OAQYLSRUSA-N 1 1 477.657 4.342 20 30 JIEDMO C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001359114810 1068824322 /nfs/dbraw/zinc/82/43/22/1068824322.db2.gz ADEHHZFXIQDTIK-QFIPXVFZSA-N 1 1 450.631 4.109 20 30 JIEDMO C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001359116409 1068825983 /nfs/dbraw/zinc/82/59/83/1068825983.db2.gz JVHVRCMOLBEGIK-REWPJTCUSA-N 1 1 468.577 4.086 20 30 JIEDMO C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001359117401 1068826607 /nfs/dbraw/zinc/82/66/07/1068826607.db2.gz YMCDORYAZFKHEN-NHCUHLMSSA-N 1 1 474.049 4.423 20 30 JIEDMO 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C=CC[C@H](Cn1c(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001359195380 1068961054 /nfs/dbraw/zinc/96/10/54/1068961054.db2.gz LMJNTCDLRCXQKF-GMKZXUHWSA-N 1 1 451.659 4.483 20 30 JIEDMO C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300545285 1068982589 /nfs/dbraw/zinc/98/25/89/1068982589.db2.gz MYLFXOMQBJOCIB-BVAGGSTKSA-N 1 1 457.647 4.281 20 30 JIEDMO C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001359208647 1068987968 /nfs/dbraw/zinc/98/79/68/1068987968.db2.gz QTBDLYOJNPKLGQ-XZOQPEGZSA-N 1 1 453.631 4.302 20 30 JIEDMO C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001359209745 1068990357 /nfs/dbraw/zinc/99/03/57/1068990357.db2.gz XXQFWXOUNJDZKT-UWJYYQICSA-N 1 1 492.437 4.360 20 30 JIEDMO C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300548953 1068993398 /nfs/dbraw/zinc/99/33/98/1068993398.db2.gz VAEFOHJRVWVFQL-HSZRJFAPSA-N 1 1 461.654 4.348 20 30 JIEDMO C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001359210857 1068994311 /nfs/dbraw/zinc/99/43/11/1068994311.db2.gz KLGPLIRRBTWDEH-MBSDFSHPSA-N 1 1 489.039 4.083 20 30 JIEDMO C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359211975 1068996858 /nfs/dbraw/zinc/99/68/58/1068996858.db2.gz VNXXTWKBJWWYNB-DYESRHJHSA-N 1 1 492.437 4.360 20 30 JIEDMO C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001359219047 1069005520 /nfs/dbraw/zinc/00/55/20/1069005520.db2.gz DZMWNOSEOZZTIK-LJQANCHMSA-N 1 1 460.420 4.260 20 30 JIEDMO C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001359221649 1069010389 /nfs/dbraw/zinc/01/03/89/1069010389.db2.gz JJWLXFOSARPKBK-MZURWIMNSA-N 1 1 483.705 4.416 20 30 JIEDMO C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001359223233 1069013475 /nfs/dbraw/zinc/01/34/75/1069013475.db2.gz DYEGIIVPSITUHR-SFHVURJKSA-N 1 1 478.410 4.114 20 30 JIEDMO C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001359226187 1069021102 /nfs/dbraw/zinc/02/11/02/1069021102.db2.gz YRLBPUWBHKYMQJ-PMACEKPBSA-N 1 1 450.587 4.112 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300561299 1069031800 /nfs/dbraw/zinc/03/18/00/1069031800.db2.gz NFVKPOIXNOJCLG-MOPGFXCFSA-N 1 1 486.433 4.430 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300561421 1069032431 /nfs/dbraw/zinc/03/24/31/1069032431.db2.gz QVTWQEMNSAIPJR-IBGZPJMESA-N 1 1 486.433 4.430 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300561457 1069033095 /nfs/dbraw/zinc/03/30/95/1069033095.db2.gz RXQUAWJTQCBTQP-GOSISDBHSA-N 1 1 472.406 4.042 20 30 JIEDMO C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001359244402 1069049455 /nfs/dbraw/zinc/04/94/55/1069049455.db2.gz BSJLXMGYPFTDHG-GOSISDBHSA-N 1 1 450.052 4.347 20 30 JIEDMO 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C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001359250218 1069151585 /nfs/dbraw/zinc/15/15/85/1069151585.db2.gz FGUVJLGFDHGFID-NHCUHLMSSA-N 1 1 472.678 4.279 20 30 JIEDMO C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001300596592 1069175556 /nfs/dbraw/zinc/17/55/56/1069175556.db2.gz YFJULIGDTPOIIM-IBGZPJMESA-N 1 1 465.026 4.461 20 30 JIEDMO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300609856 1069212711 /nfs/dbraw/zinc/21/27/11/1069212711.db2.gz XSVXUXZSUJOGDB-LJQANCHMSA-N 1 1 462.411 4.427 20 30 JIEDMO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001359258493 1069269327 /nfs/dbraw/zinc/26/93/27/1069269327.db2.gz SATYPBMLYWXINA-ZEQRLZLVSA-N 1 1 453.631 4.069 20 30 JIEDMO C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001359268506 1069306195 /nfs/dbraw/zinc/30/61/95/1069306195.db2.gz SEJLSMYMKXTTID-OAQYLSRUSA-N 1 1 468.715 4.480 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300641503 1069308281 /nfs/dbraw/zinc/30/82/81/1069308281.db2.gz BAVZFYNTTWLYFH-HXUWFJFHSA-N 1 1 497.018 4.273 20 30 JIEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@@H]21 ZINC001164835730 720511104 /nfs/dbraw/zinc/51/11/04/720511104.db2.gz KNBDBMMUCDPDJN-VKJFTORMSA-N 1 1 469.367 4.379 20 30 JIEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc2c1Cl ZINC001164746151 720807311 /nfs/dbraw/zinc/80/73/11/720807311.db2.gz LXSQMXGXJURRPK-GJZGRUSLSA-N 1 1 491.329 4.090 20 30 JIEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164871445 721193645 /nfs/dbraw/zinc/19/36/45/721193645.db2.gz ZRDJWXDHEXBJPU-SFTDATJTSA-N 1 1 496.949 4.088 20 30 JIEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867895 721196912 /nfs/dbraw/zinc/19/69/12/721196912.db2.gz JBLLFYRLURUBGH-IRXDYDNUSA-N 1 1 454.361 4.288 20 30 JIEDMO 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JIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C[C@@H]21 ZINC001165018832 721817133 /nfs/dbraw/zinc/81/71/33/721817133.db2.gz ARMSGMLSTIXOCQ-BLZYYQICSA-N 1 1 456.569 4.403 20 30 JIEDMO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001165053336 722005534 /nfs/dbraw/zinc/00/55/34/722005534.db2.gz NOVYVUOUQORFSR-XMMPIXPASA-N 1 1 477.634 4.287 20 30 JIEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976322 722159483 /nfs/dbraw/zinc/15/94/83/722159483.db2.gz WSHAMJKAOXUTTP-OPAMFIHVSA-N 1 1 469.923 4.160 20 30 JIEDMO C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300644078 1069314779 /nfs/dbraw/zinc/31/47/79/1069314779.db2.gz QYAPHHKKPIDHBG-NRFANRHFSA-N 1 1 462.063 4.040 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300649606 1069329692 /nfs/dbraw/zinc/32/96/92/1069329692.db2.gz NXKUWDNYCJHLJI-OYRHEFFESA-N 1 1 455.622 4.350 20 30 JIEDMO 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C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001358995818 1068559759 /nfs/dbraw/zinc/55/97/59/1068559759.db2.gz HAMPZYOIJWFVOB-SHQCIBLASA-N 1 1 466.633 4.028 20 30 JIEDMO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359002927 1068575852 /nfs/dbraw/zinc/57/58/52/1068575852.db2.gz RVLHTDFAOZAEBI-SJORKVTESA-N 1 1 462.411 4.427 20 30 JIEDMO C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359003998 1068579245 /nfs/dbraw/zinc/57/92/45/1068579245.db2.gz FERHFVGRPYBRBG-UHFFFAOYSA-N 1 1 467.614 4.383 20 30 JIEDMO C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359003998 1068579262 /nfs/dbraw/zinc/57/92/62/1068579262.db2.gz FERHFVGRPYBRBG-UHFFFAOYSA-N 1 1 467.614 4.383 20 30 JIEDMO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001359009834 1068586433 /nfs/dbraw/zinc/58/64/33/1068586433.db2.gz ZSORIEQTTKRLPL-XZOQPEGZSA-N 1 1 486.705 4.364 20 30 JIEDMO C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359030618 1068639829 /nfs/dbraw/zinc/63/98/29/1068639829.db2.gz ZOFIFILZCWVVGE-ZCYQVOJMSA-N 1 1 462.686 4.086 20 30 JIEDMO C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001359049619 1068668347 /nfs/dbraw/zinc/66/83/47/1068668347.db2.gz STOYOQPFCIRKSF-HBFSDRIKSA-N 1 1 460.047 4.111 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001359065273 1068708014 /nfs/dbraw/zinc/70/80/14/1068708014.db2.gz MLHGNHLGNICHRN-KSCKTEMCSA-N 1 1 462.686 4.086 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359073090 1068726356 /nfs/dbraw/zinc/72/63/56/1068726356.db2.gz BWFXPVGTTWGETL-YZIHRLCOSA-N 1 1 482.698 4.020 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359080247 1068750269 /nfs/dbraw/zinc/75/02/69/1068750269.db2.gz LEZVNNYOJQOQKW-UHFFFAOYSA-N 1 1 492.462 4.428 20 30 JIEDMO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001359083327 1068758054 /nfs/dbraw/zinc/75/80/54/1068758054.db2.gz HTYUHOWMYIFDTE-WOJBJXKFSA-N 1 1 460.420 4.139 20 30 JIEDMO C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001359083409 1068758827 /nfs/dbraw/zinc/75/88/27/1068758827.db2.gz JEPNPHGZCSNBAH-UHFFFAOYSA-N 1 1 460.420 4.045 20 30 JIEDMO C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001359085141 1068763647 /nfs/dbraw/zinc/76/36/47/1068763647.db2.gz CXNMUMBMGFNWOL-INIZCTEOSA-N 1 1 462.411 4.227 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001359105208 1068814123 /nfs/dbraw/zinc/81/41/23/1068814123.db2.gz LKIDJIHJXNSRII-GGAORHGYSA-N 1 1 455.622 4.408 20 30 JIEDMO C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001359109390 1068819744 /nfs/dbraw/zinc/81/97/44/1068819744.db2.gz ZAHAHRVZMOAVGX-UHFFFAOYSA-N 1 1 462.436 4.221 20 30 JIEDMO C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001359109390 1068819745 /nfs/dbraw/zinc/81/97/45/1068819745.db2.gz ZAHAHRVZMOAVGX-UHFFFAOYSA-N 1 1 462.436 4.221 20 30 JIEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359117893 1068827936 /nfs/dbraw/zinc/82/79/36/1068827936.db2.gz BHRCJBWWCJLYDX-UHFFFAOYSA-N 1 1 480.414 4.196 20 30 JIEDMO C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359124066 1068834468 /nfs/dbraw/zinc/83/44/68/1068834468.db2.gz DWCPOEWEXMFEER-ZJSXRUAMSA-N 1 1 467.658 4.278 20 30 JIEDMO C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)c1ccccc1 ZINC001359140860 1068850855 /nfs/dbraw/zinc/85/08/55/1068850855.db2.gz ORFCUVLLEAYCIC-GMKZXUHWSA-N 1 1 467.658 4.067 20 30 JIEDMO C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359143795 1068854530 /nfs/dbraw/zinc/85/45/30/1068854530.db2.gz NSJFCWFQULJAFV-DNVCBOLYSA-N 1 1 498.828 4.146 20 30 JIEDMO C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001359144751 1068856303 /nfs/dbraw/zinc/85/63/03/1068856303.db2.gz SLSBLPFNEAPCQK-UHFFFAOYSA-N 1 1 476.021 4.178 20 30 JIEDMO C=C(Cl)Cn1c(COc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001359156258 1068867571 /nfs/dbraw/zinc/86/75/71/1068867571.db2.gz ZXYLXAAQOXZTAC-FDDCHVKYSA-N 1 1 488.011 4.002 20 30 JIEDMO C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001359161817 1068872916 /nfs/dbraw/zinc/87/29/16/1068872916.db2.gz RUAMRBLMJFPEQP-LJQANCHMSA-N 1 1 474.447 4.365 20 30 JIEDMO C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001359162227 1068873128 /nfs/dbraw/zinc/87/31/28/1068873128.db2.gz JJXPPFDHBOWDNN-QHCPKHFHSA-N 1 1 483.657 4.256 20 30 JIEDMO C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001359168490 1068878645 /nfs/dbraw/zinc/87/86/45/1068878645.db2.gz WQGKPARQBGGWGB-UHFFFAOYSA-N 1 1 453.631 4.033 20 30 JIEDMO C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001359169143 1068879609 /nfs/dbraw/zinc/87/96/09/1068879609.db2.gz VUVHEYZHLDGCCN-QFIPXVFZSA-N 1 1 453.631 4.390 20 30 JIEDMO C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001359175922 1068889255 /nfs/dbraw/zinc/88/92/55/1068889255.db2.gz FYJDYSWWJFZKMH-QHCPKHFHSA-N 1 1 453.631 4.485 20 30 JIEDMO C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001359182064 1068905744 /nfs/dbraw/zinc/90/57/44/1068905744.db2.gz QVYSCTLDOWYSBU-UHFFFAOYSA-N 1 1 453.631 4.390 20 30 JIEDMO C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359185062 1068916241 /nfs/dbraw/zinc/91/62/41/1068916241.db2.gz KHZWEKZFYBWAMQ-NFBKMPQASA-N 1 1 453.631 4.103 20 30 JIEDMO C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001359185887 1068919071 /nfs/dbraw/zinc/91/90/71/1068919071.db2.gz MZYOHTOHDOVXAF-WMZHIEFXSA-N 1 1 485.076 4.190 20 30 JIEDMO C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001359189139 1068924843 /nfs/dbraw/zinc/92/48/43/1068924843.db2.gz BXHLATDZSCLQEA-UHFFFAOYSA-N 1 1 453.631 4.172 20 30 JIEDMO C=CCC(C)(C)Cn1c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359192412 1068946205 /nfs/dbraw/zinc/94/62/05/1068946205.db2.gz DWTYSCZRSWWFIE-RLWLMLJZSA-N 1 1 459.679 4.232 20 30 JIEDMO C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001359192975 1068949485 /nfs/dbraw/zinc/94/94/85/1068949485.db2.gz TXPXDPGWAISDNA-YTFSRNRJSA-N 1 1 472.722 4.015 20 30 JIEDMO C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001359199095 1068974438 /nfs/dbraw/zinc/97/44/38/1068974438.db2.gz KSDVGSBTTWSQEU-HSZRJFAPSA-N 1 1 474.447 4.365 20 30 JIEDMO C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001300547375 1068988089 /nfs/dbraw/zinc/98/80/89/1068988089.db2.gz LFKZGMARCCKCOO-JIMJEQGWSA-N 1 1 473.665 4.106 20 30 JIEDMO C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001359208697 1068988513 /nfs/dbraw/zinc/98/85/13/1068988513.db2.gz RNMYYUWWQVYWBE-BJKOFHAPSA-N 1 1 466.674 4.217 20 30 JIEDMO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300548617 1068992514 /nfs/dbraw/zinc/99/25/14/1068992514.db2.gz MMVJZWXITUPARD-MOPGFXCFSA-N 1 1 474.436 4.357 20 30 JIEDMO C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300548955 1068994225 /nfs/dbraw/zinc/99/42/25/1068994225.db2.gz VAEFOHJRVWVFQL-QHCPKHFHSA-N 1 1 461.654 4.348 20 30 JIEDMO C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001359210856 1068994727 /nfs/dbraw/zinc/99/47/27/1068994727.db2.gz KLGPLIRRBTWDEH-JPYJTQIMSA-N 1 1 489.039 4.083 20 30 JIEDMO C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001359222811 1069012229 /nfs/dbraw/zinc/01/22/29/1069012229.db2.gz SXLAWUWJLRTHFZ-PZJWPPBQSA-N 1 1 460.022 4.339 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@@H+](C)C(C)C ZINC001300557243 1069016078 /nfs/dbraw/zinc/01/60/78/1069016078.db2.gz RIORSMSHYBMSCU-OAQYLSRUSA-N 1 1 456.034 4.491 20 30 JIEDMO C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359224472 1069016902 /nfs/dbraw/zinc/01/69/02/1069016902.db2.gz SHHBYFWYTITUBA-UHFFFAOYSA-N 1 1 492.462 4.229 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300561300 1069032608 /nfs/dbraw/zinc/03/26/08/1069032608.db2.gz NFVKPOIXNOJCLG-OALUTQOASA-N 1 1 486.433 4.430 20 30 JIEDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 ZINC000849501735 1069075688 /nfs/dbraw/zinc/07/56/88/1069075688.db2.gz ACWCMNZRAQNVJX-RBUKOAKNSA-N 1 1 488.539 4.032 20 30 JIEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 ZINC000849501734 1069075898 /nfs/dbraw/zinc/07/58/98/1069075898.db2.gz ACWCMNZRAQNVJX-OALUTQOASA-N 1 1 488.539 4.032 20 30 JIEDMO C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC001359248165 1069106041 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COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907750 721714880 /nfs/dbraw/zinc/71/48/80/721714880.db2.gz TYGOOUHJIMOWTA-RUZDIDTESA-N 1 1 498.650 4.230 20 30 JIEDMO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C3CCCC3)CC2)cc1C ZINC001165032093 721860189 /nfs/dbraw/zinc/86/01/89/721860189.db2.gz MAESOLKURXGPBZ-RUZDIDTESA-N 1 1 489.645 4.350 20 30 JIEDMO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2)c1 ZINC001165005723 722258777 /nfs/dbraw/zinc/25/87/77/722258777.db2.gz ZHLPLVAYJMWVLQ-SANMLTNESA-N 1 1 466.029 4.326 20 30 JIEDMO C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359276783 1069314554 /nfs/dbraw/zinc/31/45/54/1069314554.db2.gz PISOAJFFDQMGNZ-UHFFFAOYSA-N 1 1 453.562 4.023 20 30 JIEDMO C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359276783 1069314575 /nfs/dbraw/zinc/31/45/75/1069314575.db2.gz PISOAJFFDQMGNZ-UHFFFAOYSA-N 1 1 453.562 4.023 20 30 JIEDMO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300647039 1069322600 /nfs/dbraw/zinc/32/26/00/1069322600.db2.gz NGOJJORFCPFAHO-XXAUWVGASA-N 1 1 480.657 4.364 20 30 JIEDMO C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001359283241 1069324799 /nfs/dbraw/zinc/32/47/99/1069324799.db2.gz DNJFVYAICHSGHD-UNMCSNQZSA-N 1 1 473.065 4.091 20 30 JIEDMO C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001359284622 1069328306 /nfs/dbraw/zinc/32/83/06/1069328306.db2.gz BMZUJCIIMVBNSF-UHFFFAOYSA-N 1 1 468.827 4.094 20 30 JIEDMO C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001359284622 1069328320 /nfs/dbraw/zinc/32/83/20/1069328320.db2.gz BMZUJCIIMVBNSF-UHFFFAOYSA-N 1 1 468.827 4.094 20 30 JIEDMO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001359290719 1069339102 /nfs/dbraw/zinc/33/91/02/1069339102.db2.gz NOULKYJEZVLVDN-UEVCKROQSA-N 1 1 453.631 4.275 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001300654701 1069346352 /nfs/dbraw/zinc/34/63/52/1069346352.db2.gz DYJMITXXACINPE-LJQANCHMSA-N 1 1 462.425 4.355 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001359311938 1069355893 /nfs/dbraw/zinc/35/58/93/1069355893.db2.gz LCSWBNYBYVAMLG-BKSPAHHJSA-N 1 1 494.684 4.297 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001359315706 1069365076 /nfs/dbraw/zinc/36/50/76/1069365076.db2.gz AHAVPNXUUIBVRM-AZUAARDMSA-N 1 1 460.022 4.120 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359323257 1069376067 /nfs/dbraw/zinc/37/60/67/1069376067.db2.gz KSYBBANDOYMENG-GGAORHGYSA-N 1 1 467.658 4.169 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001359324274 1069377914 /nfs/dbraw/zinc/37/79/14/1069377914.db2.gz HNLQPXYGOWMEFD-UPVQGACJSA-N 1 1 453.631 4.067 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001359324706 1069379024 /nfs/dbraw/zinc/37/90/24/1069379024.db2.gz QUWIQXDDDCNUNB-BJKOFHAPSA-N 1 1 467.658 4.376 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001300665550 1069386018 /nfs/dbraw/zinc/38/60/18/1069386018.db2.gz MVXKWWMHGYYNMM-LJQANCHMSA-N 1 1 474.447 4.058 20 30 JIEDMO C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001359342487 1069407352 /nfs/dbraw/zinc/40/73/52/1069407352.db2.gz YWJYICUPYUPGMD-QHAWAJNXSA-N 1 1 492.734 4.231 20 30 JIEDMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCC2)CC1 ZINC001359548624 1069855605 /nfs/dbraw/zinc/85/56/05/1069855605.db2.gz JSXKQXSFHSFXFK-UHFFFAOYSA-N 1 1 480.657 4.389 20 30 JIEDMO CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359643654 1070182526 /nfs/dbraw/zinc/18/25/26/1070182526.db2.gz IZBYIEOFIJVVJO-FQEVSTJZSA-N 1 1 450.631 4.188 20 30 JIEDMO COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315603497 1064715196 /nfs/dbraw/zinc/71/51/96/1064715196.db2.gz GIXUTOJZTRBNAC-QFQXNSOFSA-N 1 1 450.631 4.452 20 30 JIEDMO COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001315830189 1065192085 /nfs/dbraw/zinc/19/20/85/1065192085.db2.gz SNOMVJPHGIFNDO-UHFFFAOYSA-N 1 1 450.631 4.192 20 30 JIEDMO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001315887202 1065337422 /nfs/dbraw/zinc/33/74/22/1065337422.db2.gz IGGXZMPPGALWSD-AOHZBQACSA-N 1 1 480.657 4.102 20 30 JIEDMO COCCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001315959562 1065511195 /nfs/dbraw/zinc/51/11/95/1065511195.db2.gz BCOGFPUTHYYBBK-UHFFFAOYSA-N 1 1 478.666 4.187 20 30 JIEDMO COCC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1C ZINC001316126411 1065798805 /nfs/dbraw/zinc/79/88/05/1065798805.db2.gz WZTZYIQHQFDPDF-JRGCBEDISA-N 1 1 476.547 4.267 20 30 JIEDMO COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001316173041 1065846870 /nfs/dbraw/zinc/84/68/70/1065846870.db2.gz WMHOZEPAIBPWRQ-RXVVDRJESA-N 1 1 475.037 4.088 20 30 JIEDMO C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)ccc1Cl ZINC001318084165 1066891928 /nfs/dbraw/zinc/89/19/28/1066891928.db2.gz IEFGJTSQLRSHBZ-SFHVURJKSA-N 1 1 494.032 4.322 20 30 JIEDMO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300682074 1067016077 /nfs/dbraw/zinc/01/60/77/1067016077.db2.gz DWWUGMOZTCKYMX-UKILVPOCSA-N 1 1 478.685 4.055 20 30 JIEDMO C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300682389 1067017779 /nfs/dbraw/zinc/01/77/79/1067017779.db2.gz GYPIOIMNIKUECW-AZGAKELHSA-N 1 1 462.686 4.087 20 30 JIEDMO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001300708031 1067076940 /nfs/dbraw/zinc/07/69/40/1067076940.db2.gz MAACULIDNHZGCV-RUZDIDTESA-N 1 1 492.712 4.309 20 30 JIEDMO C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001300742354 1067231603 /nfs/dbraw/zinc/23/16/03/1067231603.db2.gz GIXDJYZKAINKFX-UHFFFAOYSA-N 1 1 451.665 4.258 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001300786196 1067348626 /nfs/dbraw/zinc/34/86/26/1067348626.db2.gz FHIYKYNICBRAPX-VYKTZEHYSA-N 1 1 479.669 4.264 20 30 JIEDMO C=CCNC(=S)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1c(Br)cccc1OC ZINC001200302793 1068023448 /nfs/dbraw/zinc/02/34/48/1068023448.db2.gz NXBHGVWHYXVYAZ-MJGOQNOKSA-N 1 1 460.441 4.076 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001300277310 1068062436 /nfs/dbraw/zinc/06/24/36/1068062436.db2.gz ZJLYNHUXFJFMPW-VGSWGCGISA-N 1 1 481.442 4.404 20 30 JIEDMO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300283316 1068077986 /nfs/dbraw/zinc/07/79/86/1068077986.db2.gz MWUXEKUJPLEJIR-AREMUKBSSA-N 1 1 466.630 4.118 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001300290845 1068095867 /nfs/dbraw/zinc/09/58/67/1068095867.db2.gz PXEJDWTVFLOAEZ-UGKGYDQZSA-N 1 1 451.615 4.217 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001300319357 1068227050 /nfs/dbraw/zinc/22/70/50/1068227050.db2.gz BWIYAFNSRUMAQX-HWHXTQLESA-N 1 1 474.634 4.331 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001300330425 1068270859 /nfs/dbraw/zinc/27/08/59/1068270859.db2.gz YKLLRZVESHKNJV-PABCKOPISA-N 1 1 480.657 4.027 20 30 JIEDMO CCCCCCCCCNC(=S)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001200372615 1068289943 /nfs/dbraw/zinc/28/99/43/1068289943.db2.gz LQPPIOIIVCZCFB-HHHXNRCGSA-N 1 1 485.742 4.111 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358875400 1068370934 /nfs/dbraw/zinc/37/09/34/1068370934.db2.gz OUUFGPVFBWFQBU-ACIOBRDBSA-N 1 1 474.653 4.310 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001358876102 1068372845 /nfs/dbraw/zinc/37/28/45/1068372845.db2.gz CDOVXKHGRKWKQQ-IKGGRYGDSA-N 1 1 462.411 4.425 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001358898794 1068393993 /nfs/dbraw/zinc/39/39/93/1068393993.db2.gz AIHQFMCEDMXYQT-BDTNDASRSA-N 1 1 472.678 4.463 20 30 JIEDMO C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001358906405 1068416624 /nfs/dbraw/zinc/41/66/24/1068416624.db2.gz HEYMWYOXOZERRC-NRFANRHFSA-N 1 1 474.447 4.058 20 30 JIEDMO C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001358907395 1068421695 /nfs/dbraw/zinc/42/16/95/1068421695.db2.gz NGBCRLMVXPTCIR-VWLOTQADSA-N 1 1 462.686 4.262 20 30 JIEDMO C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001300371591 1068427807 /nfs/dbraw/zinc/42/78/07/1068427807.db2.gz GQGKTTRLACWCBZ-RDGATRHJSA-N 1 1 479.669 4.115 20 30 JIEDMO C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001358942588 1068495134 /nfs/dbraw/zinc/49/51/34/1068495134.db2.gz ASCUJICEHDRLGF-OAQYLSRUSA-N 1 1 467.614 4.119 20 30 JIEDMO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCC[N@@H+]1CCCC ZINC001358953027 1068502358 /nfs/dbraw/zinc/50/23/58/1068502358.db2.gz IFXUWZTWRLUMMN-FQEVSTJZSA-N 1 1 474.447 4.344 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCC[N@@H+]1CCCC ZINC001358971008 1068512326 /nfs/dbraw/zinc/51/23/26/1068512326.db2.gz DOZJARUFFBNILY-JOCHJYFZSA-N 1 1 468.443 4.435 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CC[NH+](CC)CC1 ZINC001358988206 1068546223 /nfs/dbraw/zinc/54/62/23/1068546223.db2.gz HPEWWPJNFMDUMA-UHFFFAOYSA-N 1 1 474.697 4.123 20 30 JIEDMO C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001358997641 1068562957 /nfs/dbraw/zinc/56/29/57/1068562957.db2.gz ZTKNYWNSKIBDJB-QHCPKHFHSA-N 1 1 470.621 4.211 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359020948 1068621360 /nfs/dbraw/zinc/62/13/60/1068621360.db2.gz VXYADASXHQTLTB-IBGZPJMESA-N 1 1 488.474 4.304 20 30 JIEDMO C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@H+](CC)CCC)CC1 ZINC001359030872 1068639353 /nfs/dbraw/zinc/63/93/53/1068639353.db2.gz JEPQSNLSYAXWCC-UHFFFAOYSA-N 1 1 471.074 4.300 20 30 JIEDMO C#CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001300424687 1068656748 /nfs/dbraw/zinc/65/67/48/1068656748.db2.gz KSBTURXPFYJMBK-TZRRMPRUSA-N 1 1 492.668 4.173 20 30 JIEDMO C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001359050543 1068674478 /nfs/dbraw/zinc/67/44/78/1068674478.db2.gz UJHXDHNMPXHXPM-SFHVURJKSA-N 1 1 476.488 4.242 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCCn1cc[nH+]c1C ZINC001359073099 1068726221 /nfs/dbraw/zinc/72/62/21/1068726221.db2.gz CHWJRGABANIRDC-HSZRJFAPSA-N 1 1 483.414 4.207 20 30 JIEDMO C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001359077084 1068734926 /nfs/dbraw/zinc/73/49/26/1068734926.db2.gz UFFGGTAMKBUVCK-QGZVFWFLSA-N 1 1 462.436 4.339 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359079602 1068746012 /nfs/dbraw/zinc/74/60/12/1068746012.db2.gz PASDAZPXAFNXEL-IYBDPMFKSA-N 1 1 468.827 4.053 20 30 JIEDMO C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359079602 1068746029 /nfs/dbraw/zinc/74/60/29/1068746029.db2.gz PASDAZPXAFNXEL-IYBDPMFKSA-N 1 1 468.827 4.053 20 30 JIEDMO C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001359083831 1068759842 /nfs/dbraw/zinc/75/98/42/1068759842.db2.gz RUOBHFUKHGAVFM-NRFANRHFSA-N 1 1 480.495 4.419 20 30 JIEDMO C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001359085658 1068765316 /nfs/dbraw/zinc/76/53/16/1068765316.db2.gz VIBBWAJWKKVGKP-HXUWFJFHSA-N 1 1 481.442 4.273 20 30 JIEDMO C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001359087547 1068770795 /nfs/dbraw/zinc/77/07/95/1068770795.db2.gz JFKYRPFHRSQWLT-QGZVFWFLSA-N 1 1 466.399 4.073 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001359093514 1068794933 /nfs/dbraw/zinc/79/49/33/1068794933.db2.gz OQDHIRRSXXPCPU-SSPYTLHUSA-N 1 1 453.631 4.103 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC001359097334 1068802609 /nfs/dbraw/zinc/80/26/09/1068802609.db2.gz NSKXKJCGNQHWBC-ZEQRLZLVSA-N 1 1 452.647 4.270 20 30 JIEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359105166 1068813734 /nfs/dbraw/zinc/81/37/34/1068813734.db2.gz KTVWICWHIXVIIU-SQJMNOBHSA-N 1 1 485.698 4.481 20 30 JIEDMO C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001359118902 1068829698 /nfs/dbraw/zinc/82/96/98/1068829698.db2.gz JUDVXBNWNQOMPM-FQEVSTJZSA-N 1 1 484.714 4.088 20 30 JIEDMO C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001359118902 1068829699 /nfs/dbraw/zinc/82/96/99/1068829699.db2.gz JUDVXBNWNQOMPM-FQEVSTJZSA-N 1 1 484.714 4.088 20 30 JIEDMO C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359127939 1068838310 /nfs/dbraw/zinc/83/83/10/1068838310.db2.gz FFRGDNUOTAADAA-SZPZYZBQSA-N 1 1 487.092 4.186 20 30 JIEDMO C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001359143006 1068852613 /nfs/dbraw/zinc/85/26/13/1068852613.db2.gz RZORSOYMOBTVTN-HKUYNNGSSA-N 1 1 468.429 4.371 20 30 JIEDMO N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)s2)c(C(F)(F)F)c1 ZINC001354038434 1068856214 /nfs/dbraw/zinc/85/62/14/1068856214.db2.gz MZLYNADADMUDQN-UHFFFAOYSA-N 1 1 454.437 4.457 20 30 JIEDMO C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001359168743 1068879235 /nfs/dbraw/zinc/87/92/35/1068879235.db2.gz HQZHUDCBYNIZMW-QFIPXVFZSA-N 1 1 455.672 4.272 20 30 JIEDMO C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359174786 1068887155 /nfs/dbraw/zinc/88/71/55/1068887155.db2.gz OQWZTIJFGKBNND-NVQXNPDNSA-N 1 1 459.679 4.233 20 30 JIEDMO C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359174783 1068887188 /nfs/dbraw/zinc/88/71/88/1068887188.db2.gz OQWZTIJFGKBNND-ATIYNZHBSA-N 1 1 459.679 4.233 20 30 JIEDMO C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300513297 1068893436 /nfs/dbraw/zinc/89/34/36/1068893436.db2.gz XXUYMMIUHNFRRW-DENIHFKCSA-N 1 1 468.045 4.493 20 30 JIEDMO C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001359181206 1068903265 /nfs/dbraw/zinc/90/32/65/1068903265.db2.gz JPBMVJHLLQJZDY-OAQYLSRUSA-N 1 1 470.687 4.040 20 30 JIEDMO C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359184810 1068914972 /nfs/dbraw/zinc/91/49/72/1068914972.db2.gz ARTYLYOMOQGDJC-RBBKRZOGSA-N 1 1 483.657 4.112 20 30 JIEDMO C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359189488 1068925328 /nfs/dbraw/zinc/92/53/28/1068925328.db2.gz MEOZCQSGEQUAEV-DENIHFKCSA-N 1 1 458.050 4.282 20 30 JIEDMO C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001359191684 1068939415 /nfs/dbraw/zinc/93/94/15/1068939415.db2.gz JKMDBDKITJEKGG-QHCPKHFHSA-N 1 1 453.631 4.069 20 30 JIEDMO C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001359192158 1068941708 /nfs/dbraw/zinc/94/17/08/1068941708.db2.gz YAWHLUFHNWLFDK-IRLDBZIGSA-N 1 1 471.621 4.146 20 30 JIEDMO C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC001359193658 1068953904 /nfs/dbraw/zinc/95/39/04/1068953904.db2.gz HLZFWQSOLCPOTR-QFIPXVFZSA-N 1 1 478.666 4.160 20 30 JIEDMO C=CCCCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001359196705 1068966008 /nfs/dbraw/zinc/96/60/08/1068966008.db2.gz PXSODXWUVWJCDG-QHCPKHFHSA-N 1 1 476.463 4.265 20 30 JIEDMO C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001359199578 1068975576 /nfs/dbraw/zinc/97/55/76/1068975576.db2.gz ATNYIHYCTMZGQV-UHFFFAOYSA-N 1 1 489.039 4.228 20 30 JIEDMO C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001359199578 1068975586 /nfs/dbraw/zinc/97/55/86/1068975586.db2.gz ATNYIHYCTMZGQV-UHFFFAOYSA-N 1 1 489.039 4.228 20 30 JIEDMO C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300548835 1068993140 /nfs/dbraw/zinc/99/31/40/1068993140.db2.gz QDPJUQNLUBNVLG-ZRZAMGCNSA-N 1 1 461.654 4.249 20 30 JIEDMO C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359212767 1068997590 /nfs/dbraw/zinc/99/75/90/1068997590.db2.gz XHDYNYUFRHMLAK-GHTZIAJQSA-N 1 1 474.447 4.221 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300561458 1069033278 /nfs/dbraw/zinc/03/32/78/1069033278.db2.gz RXQUAWJTQCBTQP-SFHVURJKSA-N 1 1 472.406 4.042 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCCn1cc[nH+]c1C ZINC001300563223 1069040785 /nfs/dbraw/zinc/04/07/85/1069040785.db2.gz GDQGZOUGVPVXOM-UHFFFAOYSA-N 1 1 465.399 4.156 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300564071 1069044710 /nfs/dbraw/zinc/04/47/10/1069044710.db2.gz SKNLYKOSUGMFTI-SZPZYZBQSA-N 1 1 462.598 4.074 20 30 JIEDMO C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001359246968 1069080539 /nfs/dbraw/zinc/08/05/39/1069080539.db2.gz PRDASKPDMXHHSF-IAGOWNOFSA-N 1 1 461.452 4.321 20 30 JIEDMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849519490 1069111085 /nfs/dbraw/zinc/11/10/85/1069111085.db2.gz JUADCXFSRPRXSN-DNQXCXABSA-N 1 1 475.568 4.462 20 30 JIEDMO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001300597362 1069176375 /nfs/dbraw/zinc/17/63/75/1069176375.db2.gz FWSCCHGYVXVEJL-HSZRJFAPSA-N 1 1 483.060 4.118 20 30 JIEDMO C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001300603006 1069191526 /nfs/dbraw/zinc/19/15/26/1069191526.db2.gz WNWFIJKRHHSHGB-GOSISDBHSA-N 1 1 453.587 4.137 20 30 JIEDMO C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001300603006 1069191541 /nfs/dbraw/zinc/19/15/41/1069191541.db2.gz WNWFIJKRHHSHGB-GOSISDBHSA-N 1 1 453.587 4.137 20 30 JIEDMO C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC001359253860 1069207890 /nfs/dbraw/zinc/20/78/90/1069207890.db2.gz WTCCZMAXHMICCV-UHFFFAOYSA-N 1 1 480.440 4.430 20 30 JIEDMO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001359254798 1069225929 /nfs/dbraw/zinc/22/59/29/1069225929.db2.gz CZRIUXSHJNMTPZ-VWLOTQADSA-N 1 1 489.668 4.278 20 30 JIEDMO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359255744 1069236661 /nfs/dbraw/zinc/23/66/61/1069236661.db2.gz JDIHVFQNQHZYEJ-SZPZYZBQSA-N 1 1 472.641 4.111 20 30 JIEDMO C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001359257314 1069258334 /nfs/dbraw/zinc/25/83/34/1069258334.db2.gz HEWMLWNCSMSNRB-UHFFFAOYSA-N 1 1 473.669 4.376 20 30 JIEDMO C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359260435 1069280875 /nfs/dbraw/zinc/28/08/75/1069280875.db2.gz DPUDMNOEZUQJPO-UHFFFAOYSA-N 1 1 464.589 4.091 20 30 JIEDMO C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001359262186 1069287354 /nfs/dbraw/zinc/28/73/54/1069287354.db2.gz LBTCEZRWZFDFOR-DHLKQENFSA-N 1 1 451.640 4.141 20 30 JIEDMO C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001359268731 1069306604 /nfs/dbraw/zinc/30/66/04/1069306604.db2.gz ARYZXNFYRIIAMM-QGZVFWFLSA-N 1 1 472.431 4.379 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300641502 1069308000 /nfs/dbraw/zinc/30/80/00/1069308000.db2.gz BAVZFYNTTWLYFH-FQEVSTJZSA-N 1 1 497.018 4.273 20 30 JIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664935 719359151 /nfs/dbraw/zinc/35/91/51/719359151.db2.gz SVZGSZUBTMKMJG-IGKIAQTJSA-N 1 1 460.626 4.019 20 30 JIEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164712043 720096636 /nfs/dbraw/zinc/09/66/36/720096636.db2.gz UMGPENWZWBZOTI-IBGZPJMESA-N 1 1 461.944 4.054 20 30 JIEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164712044 720096655 /nfs/dbraw/zinc/09/66/55/720096655.db2.gz UMGPENWZWBZOTI-LJQANCHMSA-N 1 1 461.944 4.054 20 30 JIEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164717487 720122037 /nfs/dbraw/zinc/12/20/37/720122037.db2.gz PMTICQPZYNKEHX-LJQANCHMSA-N 1 1 461.944 4.054 20 30 JIEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164719132 720126649 /nfs/dbraw/zinc/12/66/49/720126649.db2.gz WNHXJIRVKIVUED-VWNXMTODSA-N 1 1 486.595 4.174 20 30 JIEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164839011 720726826 /nfs/dbraw/zinc/72/68/26/720726826.db2.gz KGQYYEVFNGUISZ-QFIPXVFZSA-N 1 1 457.534 4.275 20 30 JIEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)CC[C@H]2C1 ZINC001164856679 720893758 /nfs/dbraw/zinc/89/37/58/720893758.db2.gz GDUMWKDSINJFJU-LIRRHRJNSA-N 1 1 485.362 4.132 20 30 JIEDMO N#Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164753811 720910402 /nfs/dbraw/zinc/91/04/02/720910402.db2.gz UFARYPSPTLNNLD-RBJSKKJNSA-N 1 1 453.590 4.257 20 30 JIEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccs4)ccc3C#N)C2)C1 ZINC001164787133 721367819 /nfs/dbraw/zinc/36/78/19/721367819.db2.gz ZHNVCZWTVJTMGE-VWLOTQADSA-N 1 1 463.607 4.406 20 30 JIEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccs4)ccc3C#N)C2)C1 ZINC001164787133 721367825 /nfs/dbraw/zinc/36/78/25/721367825.db2.gz ZHNVCZWTVJTMGE-VWLOTQADSA-N 1 1 463.607 4.406 20 30 JIEDMO C=CCOCc1nn(C)c2c1CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164787880 721447177 /nfs/dbraw/zinc/44/71/77/721447177.db2.gz RBHATPMMHQOPFE-UHFFFAOYSA-N 1 1 474.634 4.419 20 30 JIEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164783882 721451523 /nfs/dbraw/zinc/45/15/23/721451523.db2.gz CXPHKNZZSWVJNN-RUZDIDTESA-N 1 1 478.612 4.493 20 30 JIEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164786851 721452103 /nfs/dbraw/zinc/45/21/03/721452103.db2.gz NYXSDWDMDJHFGO-IZZNHLLZSA-N 1 1 489.664 4.174 20 30 JIEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164786524 721462475 /nfs/dbraw/zinc/46/24/75/721462475.db2.gz ONVLVKBKRGNBQO-ISKFKSNPSA-N 1 1 493.627 4.005 20 30 JIEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164808351 721528880 /nfs/dbraw/zinc/52/88/80/721528880.db2.gz ROFFTGIKELKIDL-YQVWRLOYSA-N 1 1 468.335 4.068 20 30 JIEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164808351 721528883 /nfs/dbraw/zinc/52/88/83/721528883.db2.gz ROFFTGIKELKIDL-YQVWRLOYSA-N 1 1 468.335 4.068 20 30 JIEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1F ZINC001164909936 721536787 /nfs/dbraw/zinc/53/67/87/721536787.db2.gz SOFMGYOOCBRLKS-IEBWSBKVSA-N 1 1 467.907 4.289 20 30 JIEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164807404 721557147 /nfs/dbraw/zinc/55/71/47/721557147.db2.gz SXBLFTVMMIYANS-JRFVFWCSSA-N 1 1 478.959 4.071 20 30 JIEDMO N#C[C@H](c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1)c1ccccc1F ZINC001164906760 721712387 /nfs/dbraw/zinc/71/23/87/721712387.db2.gz NZXDTHQDBLNFLB-OFVILXPXSA-N 1 1 478.522 4.404 20 30 JIEDMO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c(Cl)n1 ZINC001165025504 721817027 /nfs/dbraw/zinc/81/70/27/721817027.db2.gz NBVJPJWIAMMHHS-ZAAXVRCTSA-N 1 1 461.944 4.292 20 30 JIEDMO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001165032270 721859432 /nfs/dbraw/zinc/85/94/32/721859432.db2.gz PBXSPMHMJZYAOK-DEOSSOPVSA-N 1 1 475.618 4.041 20 30 JIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164975305 722159558 /nfs/dbraw/zinc/15/95/58/722159558.db2.gz SAGFKXAPFBFJPM-GCJKJVERSA-N 1 1 465.960 4.330 20 30 JIEDMO C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001359274406 1069311244 /nfs/dbraw/zinc/31/12/44/1069311244.db2.gz MIZIVMYZNKWXSE-QHAWAJNXSA-N 1 1 458.651 4.102 20 30 JIEDMO C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCC[N@@H+]1CC ZINC001359279079 1069319056 /nfs/dbraw/zinc/31/90/56/1069319056.db2.gz RZBVKELIFMGMAM-GOSISDBHSA-N 1 1 480.426 4.360 20 30 JIEDMO C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359297125 1069343631 /nfs/dbraw/zinc/34/36/31/1069343631.db2.gz GHASOJOIARYUCO-HXUWFJFHSA-N 1 1 485.076 4.382 20 30 JIEDMO C=CCOc1ccc(Cn2c(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)cc1 ZINC001359308397 1069349611 /nfs/dbraw/zinc/34/96/11/1069349611.db2.gz NAWHMFJOIZVJCO-WIOPSUGQSA-N 1 1 491.684 4.442 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001359312810 1069357173 /nfs/dbraw/zinc/35/71/73/1069357173.db2.gz BKYPXZSQHRZDPD-PKTZIBPZSA-N 1 1 451.615 4.078 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001359314645 1069361422 /nfs/dbraw/zinc/36/14/22/1069361422.db2.gz FLYASBUASSKTMS-IMSXRSKXSA-N 1 1 453.631 4.103 20 30 JIEDMO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[N@@H+](C)C(C)C ZINC001300677769 1069433290 /nfs/dbraw/zinc/43/32/90/1069433290.db2.gz APXSGADWFUIECM-DEOSSOPVSA-N 1 1 456.660 4.439 20 30 JIEDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 ZINC001359548289 1069854691 /nfs/dbraw/zinc/85/46/91/1069854691.db2.gz VCWVBVHYEIRRLB-UHFFFAOYSA-N 1 1 450.509 4.054 20 30 JIEDMO CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359700913 1070365710 /nfs/dbraw/zinc/36/57/10/1070365710.db2.gz CMYIVJCCFQXUEA-HSZRJFAPSA-N 1 1 450.631 4.441 20 30 JIEDMO COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001315791658 1065133155 /nfs/dbraw/zinc/13/31/55/1065133155.db2.gz DHAOBOFYBWLTGM-CQOQZXRMSA-N 1 1 480.657 4.102 20 30 JIEDMO COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001315833504 1065202615 /nfs/dbraw/zinc/20/26/15/1065202615.db2.gz ZHVRMTCGEOQCLY-JOCHJYFZSA-N 1 1 450.631 4.190 20 30 JIEDMO COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001316052453 1065678111 /nfs/dbraw/zinc/67/81/11/1065678111.db2.gz ROBIVOANMOMCNU-JOCHJYFZSA-N 1 1 494.684 4.349 20 30 JIEDMO COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001316091295 1065749045 /nfs/dbraw/zinc/74/90/45/1065749045.db2.gz GCNRBZMWXCAKHB-LEWJYISDSA-N 1 1 476.625 4.492 20 30 JIEDMO 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C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001300769863 1067317010 /nfs/dbraw/zinc/31/70/10/1067317010.db2.gz LCGGEGXXKVBXSY-FCHUYYIVSA-N 1 1 467.683 4.328 20 30 JIEDMO C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001300770277 1067318213 /nfs/dbraw/zinc/31/82/13/1067318213.db2.gz RLOHFQNNJNDHLA-QFIPXVFZSA-N 1 1 467.683 4.151 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300790522 1067360587 /nfs/dbraw/zinc/36/05/87/1067360587.db2.gz RUIVJAXDMUNOOF-NTKDMRAZSA-N 1 1 459.997 4.087 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300790880 1067361287 /nfs/dbraw/zinc/36/12/87/1067361287.db2.gz ZCGSVRSSXFZDTE-KDYSTLNUSA-N 1 1 465.642 4.467 20 30 JIEDMO COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300016765 1067376523 /nfs/dbraw/zinc/37/65/23/1067376523.db2.gz FBHDSSYOUMVJAR-QHCPKHFHSA-N 1 1 466.630 4.213 20 30 JIEDMO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001300031267 1067422113 /nfs/dbraw/zinc/42/21/13/1067422113.db2.gz XZIGEQUPCVLDMJ-QGZVFWFLSA-N 1 1 487.446 4.331 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300276345 1068059781 /nfs/dbraw/zinc/05/97/81/1068059781.db2.gz LHERWODGGNJYEH-CEXWTWQISA-N 1 1 475.479 4.262 20 30 JIEDMO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001300285023 1068082609 /nfs/dbraw/zinc/08/26/09/1068082609.db2.gz RQKGLVKUHDDVHW-QFQXNSOFSA-N 1 1 466.630 4.260 20 30 JIEDMO COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001300285319 1068083719 /nfs/dbraw/zinc/08/37/19/1068083719.db2.gz UCDNKBAYBIFXAA-CUNXSJBXSA-N 1 1 480.657 4.364 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001300286834 1068086933 /nfs/dbraw/zinc/08/69/33/1068086933.db2.gz OKTIWSVOJBVOQQ-IFMALSPDSA-N 1 1 453.631 4.463 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001300289762 1068091644 /nfs/dbraw/zinc/09/16/44/1068091644.db2.gz JDLVMLMUDUNVIU-VQTJNVASSA-N 1 1 462.598 4.050 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300302611 1068145010 /nfs/dbraw/zinc/14/50/10/1068145010.db2.gz CLJGUXRULDLLBP-VABKMULXSA-N 1 1 486.705 4.219 20 30 JIEDMO C[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[N@@H+]1CCc2sccc2C1 ZINC000510243583 1068164552 /nfs/dbraw/zinc/16/45/52/1068164552.db2.gz RLFQROGKGKSVAC-AWEZNQCLSA-N 1 1 470.649 4.332 20 30 JIEDMO C[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[N@H+]1CCc2sccc2C1 ZINC000510243583 1068164582 /nfs/dbraw/zinc/16/45/82/1068164582.db2.gz RLFQROGKGKSVAC-AWEZNQCLSA-N 1 1 470.649 4.332 20 30 JIEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300334184 1068299018 /nfs/dbraw/zinc/29/90/18/1068299018.db2.gz IGEYICVWQBWVEN-SFTDATJTSA-N 1 1 464.658 4.043 20 30 JIEDMO C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001300348969 1068353688 /nfs/dbraw/zinc/35/36/88/1068353688.db2.gz PCVYZHZSCIGFSU-UHFFFAOYSA-N 1 1 450.568 4.041 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001358898655 1068394147 /nfs/dbraw/zinc/39/41/47/1068394147.db2.gz YDQDCDMBNZDGDL-JKSUJKDBSA-N 1 1 459.381 4.396 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCCC1 ZINC001358899900 1068397776 /nfs/dbraw/zinc/39/77/76/1068397776.db2.gz XJUNWKOEJOBXDW-CTNGQTDRSA-N 1 1 458.651 4.073 20 30 JIEDMO C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001358906800 1068418770 /nfs/dbraw/zinc/41/87/70/1068418770.db2.gz TXYQHSFNJJRLTJ-UGKGYDQZSA-N 1 1 486.458 4.058 20 30 JIEDMO C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001358907783 1068424034 /nfs/dbraw/zinc/42/40/34/1068424034.db2.gz ASZYMWJFGFTWGB-SZPZYZBQSA-N 1 1 465.642 4.083 20 30 JIEDMO 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JIEDMO C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001359192974 1068949678 /nfs/dbraw/zinc/94/96/78/1068949678.db2.gz TXPXDPGWAISDNA-DNVJHFABSA-N 1 1 472.722 4.015 20 30 JIEDMO C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC001359193657 1068953980 /nfs/dbraw/zinc/95/39/80/1068953980.db2.gz HLZFWQSOLCPOTR-JOCHJYFZSA-N 1 1 478.666 4.160 20 30 JIEDMO C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001359197609 1068969200 /nfs/dbraw/zinc/96/92/00/1068969200.db2.gz ULAZQTBQXOAKBJ-HSZRJFAPSA-N 1 1 480.657 4.052 20 30 JIEDMO C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001359200359 1068978321 /nfs/dbraw/zinc/97/83/21/1068978321.db2.gz BXZVDZVNBNXLRC-GOSISDBHSA-N 1 1 462.436 4.221 20 30 JIEDMO C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001359206845 1068986202 /nfs/dbraw/zinc/98/62/02/1068986202.db2.gz RAWIRLUHQOKSPV-GSPCLOLRSA-N 1 1 459.679 4.100 20 30 JIEDMO C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001359207231 1068986564 /nfs/dbraw/zinc/98/65/64/1068986564.db2.gz DFHLVLWKKAGHAB-UHFFFAOYSA-N 1 1 464.639 4.497 20 30 JIEDMO C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001359208698 1068988627 /nfs/dbraw/zinc/98/86/27/1068988627.db2.gz RNMYYUWWQVYWBE-DNQXCXABSA-N 1 1 466.674 4.217 20 30 JIEDMO C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001359209084 1068988684 /nfs/dbraw/zinc/98/86/84/1068988684.db2.gz ASTOYMHUKQNUNZ-UHFFFAOYSA-N 1 1 462.436 4.221 20 30 JIEDMO C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001359209084 1068988693 /nfs/dbraw/zinc/98/86/93/1068988693.db2.gz ASTOYMHUKQNUNZ-UHFFFAOYSA-N 1 1 462.436 4.221 20 30 JIEDMO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300548619 1068992737 /nfs/dbraw/zinc/99/27/37/1068992737.db2.gz MMVJZWXITUPARD-RBUKOAKNSA-N 1 1 474.436 4.357 20 30 JIEDMO C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001359219046 1069005823 /nfs/dbraw/zinc/00/58/23/1069005823.db2.gz DZMWNOSEOZZTIK-IBGZPJMESA-N 1 1 460.420 4.260 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@@H+]1CCc2sccc2C1 ZINC001300556834 1069014335 /nfs/dbraw/zinc/01/43/35/1069014335.db2.gz NCGSEOCLYDPMFC-FQEVSTJZSA-N 1 1 477.609 4.140 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@H+]1CCc2sccc2C1 ZINC001300556834 1069014344 /nfs/dbraw/zinc/01/43/44/1069014344.db2.gz NCGSEOCLYDPMFC-FQEVSTJZSA-N 1 1 477.609 4.140 20 30 JIEDMO C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001359223962 1069015645 /nfs/dbraw/zinc/01/56/45/1069015645.db2.gz BFPQTXYCNOUKFJ-HXUWFJFHSA-N 1 1 462.623 4.354 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+](C)C1CCCC1 ZINC001300563025 1069039419 /nfs/dbraw/zinc/03/94/19/1069039419.db2.gz DCODKZIDPPMRSQ-UHFFFAOYSA-N 1 1 460.445 4.106 20 30 JIEDMO 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C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001300635150 1069288666 /nfs/dbraw/zinc/28/86/66/1069288666.db2.gz FKFPUUXMMMLONC-HXUWFJFHSA-N 1 1 467.017 4.170 20 30 JIEDMO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C3)C2)n1 ZINC001164665808 719358467 /nfs/dbraw/zinc/35/84/67/719358467.db2.gz YYLQEWIQUGKRKD-PMERELPUSA-N 1 1 494.643 4.030 20 30 JIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664955 719359119 /nfs/dbraw/zinc/35/91/19/719359119.db2.gz SVZGSZUBTMKMJG-SQHAQQRYSA-N 1 1 460.626 4.019 20 30 JIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664953 719359282 /nfs/dbraw/zinc/35/92/82/719359282.db2.gz SVZGSZUBTMKMJG-SHQCIBLASA-N 1 1 460.626 4.019 20 30 JIEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C)C2 ZINC001164812390 720147704 /nfs/dbraw/zinc/14/77/04/720147704.db2.gz ADYGJFAZEHJHEJ-DWACAAAGSA-N 1 1 496.772 4.480 20 30 JIEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2 ZINC001164813922 720203333 /nfs/dbraw/zinc/20/33/33/720203333.db2.gz QUXHIZUJDVHQOS-RDPSFJRHSA-N 1 1 487.982 4.398 20 30 JIEDMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835729 720511139 /nfs/dbraw/zinc/51/11/39/720511139.db2.gz KNBDBMMUCDPDJN-RVKKMQEKSA-N 1 1 469.367 4.379 20 30 JIEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755490 720876388 /nfs/dbraw/zinc/87/63/88/720876388.db2.gz XWUPQCMAZPMHLA-WXVAWEFUSA-N 1 1 489.023 4.305 20 30 JIEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)[C@H]2C ZINC001164858864 721018413 /nfs/dbraw/zinc/01/84/13/721018413.db2.gz ICSPRZNBLWWTRM-INIZCTEOSA-N 1 1 451.962 4.412 20 30 JIEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164884360 721453719 /nfs/dbraw/zinc/45/37/19/721453719.db2.gz AUKLGHURNBSZGQ-OSPHWJPCSA-N 1 1 474.436 4.179 20 30 JIEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164884357 721454119 /nfs/dbraw/zinc/45/41/19/721454119.db2.gz AUKLGHURNBSZGQ-BXKMTCNYSA-N 1 1 474.436 4.179 20 30 JIEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897183 721512632 /nfs/dbraw/zinc/51/26/32/721512632.db2.gz FFIXMZOAIMPKGT-ZFWWWQNUSA-N 1 1 457.283 4.286 20 30 JIEDMO CSc1nc(-c2ccccc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164808681 721564346 /nfs/dbraw/zinc/56/43/46/721564346.db2.gz VIFWMHPZNPGFCH-RJGXRXQPSA-N 1 1 472.618 4.000 20 30 JIEDMO CSc1nc(-c2ccccc2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164808681 721564349 /nfs/dbraw/zinc/56/43/49/721564349.db2.gz VIFWMHPZNPGFCH-RJGXRXQPSA-N 1 1 472.618 4.000 20 30 JIEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909937 721565239 /nfs/dbraw/zinc/56/52/39/721565239.db2.gz VRWBIPCSRPVVAM-AZUAARDMSA-N 1 1 465.916 4.275 20 30 JIEDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001165021438 721838118 /nfs/dbraw/zinc/83/81/18/721838118.db2.gz MXHXHUWMPHOECI-UHFFFAOYSA-N 1 1 450.917 4.270 20 30 JIEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976312 722159599 /nfs/dbraw/zinc/15/95/99/722159599.db2.gz WSHAMJKAOXUTTP-AOMKIAJQSA-N 1 1 469.923 4.160 20 30 JIEDMO C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[N@@H+]1CC ZINC001359278937 1069318268 /nfs/dbraw/zinc/31/82/68/1069318268.db2.gz MBDOIWDWXRBURT-QGZVFWFLSA-N 1 1 482.854 4.484 20 30 JIEDMO C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359279177 1069318907 /nfs/dbraw/zinc/31/89/07/1069318907.db2.gz WNMGUCLXQFEZAO-IBGZPJMESA-N 1 1 476.463 4.467 20 30 JIEDMO C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001359279569 1069320060 /nfs/dbraw/zinc/32/00/60/1069320060.db2.gz LMKNUTJMWPQVBW-MHZLTWQESA-N 1 1 499.725 4.089 20 30 JIEDMO C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359287041 1069333025 /nfs/dbraw/zinc/33/30/25/1069333025.db2.gz INUQDABHXWJIRS-JOCHJYFZSA-N 1 1 498.647 4.430 20 30 JIEDMO C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001359309652 1069352542 /nfs/dbraw/zinc/35/25/42/1069352542.db2.gz ZQYNDFKWEODCBV-XMMPIXPASA-N 1 1 453.631 4.299 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001300656819 1069353711 /nfs/dbraw/zinc/35/37/11/1069353711.db2.gz OIKRQNGWPZOZAW-NRFANRHFSA-N 1 1 486.458 4.119 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300657616 1069358431 /nfs/dbraw/zinc/35/84/31/1069358431.db2.gz YZAZVBPEFSHNRD-LEWJYISDSA-N 1 1 469.699 4.338 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001359315169 1069363681 /nfs/dbraw/zinc/36/36/81/1069363681.db2.gz PDEQVJGNINOKEQ-HOTGVXAUSA-N 1 1 468.465 4.281 20 30 JIEDMO 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C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359477699 1069639900 /nfs/dbraw/zinc/63/99/00/1069639900.db2.gz DCCUMZDSTDQIMW-MZURWIMNSA-N 1 1 464.658 4.457 20 30 JIEDMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001316275105 1066026286 /nfs/dbraw/zinc/02/62/86/1066026286.db2.gz WVSMFJCJVZLODM-LFBFJMOVSA-N 1 1 480.657 4.043 20 30 JIEDMO C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300682381 1067017565 /nfs/dbraw/zinc/01/75/65/1067017565.db2.gz GYCOCFDABIBPCN-TZRRMPRUSA-N 1 1 496.675 4.071 20 30 JIEDMO C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001300683732 1067021170 /nfs/dbraw/zinc/02/11/70/1067021170.db2.gz RZSZEUTUZRVCAR-JOCHJYFZSA-N 1 1 487.092 4.174 20 30 JIEDMO C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001300707008 1067074832 /nfs/dbraw/zinc/07/48/32/1067074832.db2.gz ANDULCTXKXDFKE-RUZDIDTESA-N 1 1 492.712 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C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359032861 1068646702 /nfs/dbraw/zinc/64/67/02/1068646702.db2.gz GMCAHDWQYJPTBE-OAQYLSRUSA-N 1 1 499.501 4.117 20 30 JIEDMO C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001359039402 1068652772 /nfs/dbraw/zinc/65/27/72/1068652772.db2.gz HEPKIHDXSSVWNQ-JOCHJYFZSA-N 1 1 487.117 4.099 20 30 JIEDMO C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001359048966 1068665245 /nfs/dbraw/zinc/66/52/45/1068665245.db2.gz FIDQOKGYOFQFSR-IBGZPJMESA-N 1 1 485.654 4.307 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCCn1cc[nH+]c1C ZINC001359074296 1068730422 /nfs/dbraw/zinc/73/04/22/1068730422.db2.gz XZZDFCZRKSHKIU-XMMPIXPASA-N 1 1 452.990 4.488 20 30 JIEDMO C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001359086489 1068767671 /nfs/dbraw/zinc/76/76/71/1068767671.db2.gz YDMCHIUBBGUIBT-OAHLLOKOSA-N 1 1 450.450 4.150 20 30 JIEDMO 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C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001359087546 1068770947 /nfs/dbraw/zinc/77/09/47/1068770947.db2.gz JFKYRPFHRSQWLT-KRWDZBQOSA-N 1 1 466.399 4.073 20 30 JIEDMO C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359087823 1068772362 /nfs/dbraw/zinc/77/23/62/1068772362.db2.gz RBDBSUZJXCESDJ-UHFFFAOYSA-N 1 1 462.436 4.385 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359102819 1068808158 /nfs/dbraw/zinc/80/81/58/1068808158.db2.gz GAXXMDWQGUVGLE-DHLKQENFSA-N 1 1 453.631 4.067 20 30 JIEDMO C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359106317 1068816711 /nfs/dbraw/zinc/81/67/11/1068816711.db2.gz ACKDFQZEWYAMQU-OAQYLSRUSA-N 1 1 450.587 4.446 20 30 JIEDMO C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001300475998 1068824777 /nfs/dbraw/zinc/82/47/77/1068824777.db2.gz UULGJEKZRNGLPS-WZONZLPQSA-N 1 1 453.587 4.210 20 30 JIEDMO C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001300476226 1068825726 /nfs/dbraw/zinc/82/57/26/1068825726.db2.gz ZGFWILLWAOOAPG-DVECYGJZSA-N 1 1 465.623 4.080 20 30 JIEDMO C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359145120 1068856695 /nfs/dbraw/zinc/85/66/95/1068856695.db2.gz GNOFAKVNYJYXLZ-QFBILLFUSA-N 1 1 480.838 4.007 20 30 JIEDMO C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001359156158 1068867207 /nfs/dbraw/zinc/86/72/07/1068867207.db2.gz XBHWBHYLIHUVKR-KSSFIOAISA-N 1 1 486.831 4.073 20 30 JIEDMO C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359156159 1068867296 /nfs/dbraw/zinc/86/72/96/1068867296.db2.gz XBHWBHYLIHUVKR-RDTXWAMCSA-N 1 1 486.831 4.073 20 30 JIEDMO C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001359156913 1068868360 /nfs/dbraw/zinc/86/83/60/1068868360.db2.gz SUZIEJVNCLCSQK-DNVCBOLYSA-N 1 1 468.454 4.133 20 30 JIEDMO C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300509507 1068884762 /nfs/dbraw/zinc/88/47/62/1068884762.db2.gz NPBFYCHWVNGTJQ-PMACEKPBSA-N 1 1 454.018 4.244 20 30 JIEDMO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359175732 1068888837 /nfs/dbraw/zinc/88/88/37/1068888837.db2.gz XHACBRKGQQNLFM-NRFANRHFSA-N 1 1 485.698 4.263 20 30 JIEDMO C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001359175961 1068889165 /nfs/dbraw/zinc/88/91/65/1068889165.db2.gz HFCVATBLMGSADB-INIZCTEOSA-N 1 1 450.414 4.375 20 30 JIEDMO C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300513298 1068893531 /nfs/dbraw/zinc/89/35/31/1068893531.db2.gz XXUYMMIUHNFRRW-KNQAVFIVSA-N 1 1 468.045 4.493 20 30 JIEDMO C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001359183776 1068909788 /nfs/dbraw/zinc/90/97/88/1068909788.db2.gz TZHFKPIDBHGKFU-IBVKSMDESA-N 1 1 471.621 4.461 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300527350 1068931952 /nfs/dbraw/zinc/93/19/52/1068931952.db2.gz FXDAGJJISPEEFA-ZRZAMGCNSA-N 1 1 470.621 4.431 20 30 JIEDMO C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001359192835 1068948939 /nfs/dbraw/zinc/94/89/39/1068948939.db2.gz PNLZRAMAIVKJBC-DHIUTWEWSA-N 1 1 483.705 4.245 20 30 JIEDMO C=CCC(C)(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001359192953 1068949552 /nfs/dbraw/zinc/94/95/52/1068949552.db2.gz SPGWCBWJDHBBCU-CGXNFDGLSA-N 1 1 472.678 4.324 20 30 JIEDMO C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001359211377 1068995360 /nfs/dbraw/zinc/99/53/60/1068995360.db2.gz AWJZXDQFXFQPCG-UHFFFAOYSA-N 1 1 453.612 4.312 20 30 JIEDMO C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359217268 1069001828 /nfs/dbraw/zinc/00/18/28/1069001828.db2.gz UMDSLBZXYLHDNV-OYRHEFFESA-N 1 1 472.628 4.108 20 30 JIEDMO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359230185 1069029169 /nfs/dbraw/zinc/02/91/69/1069029169.db2.gz IZNQXEQOEGJJCH-OAQYLSRUSA-N 1 1 483.016 4.304 20 30 JIEDMO C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359236024 1069035943 /nfs/dbraw/zinc/03/59/43/1069035943.db2.gz WNZJHJMCVIEQSA-QGZVFWFLSA-N 1 1 462.436 4.459 20 30 JIEDMO C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359240578 1069041910 /nfs/dbraw/zinc/04/19/10/1069041910.db2.gz RWAFEMXLAPJEII-QFIPXVFZSA-N 1 1 481.048 4.031 20 30 JIEDMO C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001359240624 1069041973 /nfs/dbraw/zinc/04/19/73/1069041973.db2.gz UAAMUMGAXMTZBP-NRFANRHFSA-N 1 1 494.684 4.462 20 30 JIEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)c1 ZINC000849492150 1069059634 /nfs/dbraw/zinc/05/96/34/1069059634.db2.gz CFLSXMJKBZEBAV-KAYWLYCHSA-N 1 1 484.600 4.059 20 30 JIEDMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849519492 1069111041 /nfs/dbraw/zinc/11/10/41/1069111041.db2.gz JUADCXFSRPRXSN-RPWUZVMVSA-N 1 1 475.568 4.462 20 30 JIEDMO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300609855 1069212532 /nfs/dbraw/zinc/21/25/32/1069212532.db2.gz XSVXUXZSUJOGDB-IBGZPJMESA-N 1 1 462.411 4.427 20 30 JIEDMO Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001492575964 1069236463 /nfs/dbraw/zinc/23/64/63/1069236463.db2.gz DHGVXKDWHQWRPE-NYVOZVTQSA-N 1 1 466.630 4.447 20 30 JIEDMO Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001492575964 1069236475 /nfs/dbraw/zinc/23/64/75/1069236475.db2.gz DHGVXKDWHQWRPE-NYVOZVTQSA-N 1 1 466.630 4.447 20 30 JIEDMO C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300631277 1069278634 /nfs/dbraw/zinc/27/86/34/1069278634.db2.gz OXPIKZIVXJFWMB-IMSXRSKXSA-N 1 1 451.615 4.008 20 30 JIEDMO C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[NH+]1CCSCC1 ZINC001359261545 1069284277 /nfs/dbraw/zinc/28/42/77/1069284277.db2.gz MJPFVPAMDFNINZ-UHFFFAOYSA-N 1 1 496.706 4.450 20 30 JIEDMO C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359261964 1069286018 /nfs/dbraw/zinc/28/60/18/1069286018.db2.gz BXYKRZGXQLHEMN-IBGZPJMESA-N 1 1 485.679 4.087 20 30 JIEDMO C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001359262189 1069287880 /nfs/dbraw/zinc/28/78/80/1069287880.db2.gz LBTCEZRWZFDFOR-WIOPSUGQSA-N 1 1 451.640 4.141 20 30 JIEDMO C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359263181 1069292179 /nfs/dbraw/zinc/29/21/79/1069292179.db2.gz SMLCEQZSTQJEAC-IBGZPJMESA-N 1 1 453.660 4.443 20 30 JIEDMO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1)C(C)C ZINC001359265950 1069300788 /nfs/dbraw/zinc/30/07/88/1069300788.db2.gz PKUWFXGCYWNNPF-WIOPSUGQSA-N 1 1 466.649 4.457 20 30 JIEDMO C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+]1CCC[C@H]1C ZINC001359269354 1069308145 /nfs/dbraw/zinc/30/81/45/1069308145.db2.gz YKORSZWSDNHLIF-QGZVFWFLSA-N 1 1 460.420 4.379 20 30 JIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664868 719359318 /nfs/dbraw/zinc/35/93/18/719359318.db2.gz QXIPZSLSGDRMML-LEAFIULHSA-N 1 1 474.653 4.409 20 30 JIEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164710608 720099946 /nfs/dbraw/zinc/09/99/46/720099946.db2.gz JYAUZYJCUGJRGC-SFHVURJKSA-N 1 1 461.944 4.054 20 30 JIEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164731141 720486694 /nfs/dbraw/zinc/48/66/94/720486694.db2.gz WBIUJRXVJXENIQ-VXKWHMMOSA-N 1 1 466.923 4.462 20 30 JIEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164731141 720486706 /nfs/dbraw/zinc/48/67/06/720486706.db2.gz WBIUJRXVJXENIQ-VXKWHMMOSA-N 1 1 466.923 4.462 20 30 JIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164750384 720861778 /nfs/dbraw/zinc/86/17/78/720861778.db2.gz PQOWFSUPVSOYLN-NPPFBWRTSA-N 1 1 479.991 4.178 20 30 JIEDMO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755275 720872908 /nfs/dbraw/zinc/87/29/08/720872908.db2.gz VQVWAYGLFHADRW-SQJMNOBHSA-N 1 1 452.002 4.065 20 30 JIEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755499 720875227 /nfs/dbraw/zinc/87/52/27/720875227.db2.gz YAKSTBOVRUCRMY-GBXCKJPGSA-N 1 1 487.982 4.302 20 30 JIEDMO N#Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164757427 720888349 /nfs/dbraw/zinc/88/83/49/720888349.db2.gz UPOYKSFMMXOSNB-QPPBQGQZSA-N 1 1 487.982 4.302 20 30 JIEDMO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751685 720890336 /nfs/dbraw/zinc/89/03/36/720890336.db2.gz DBRWFNLTWMFZHF-RDPSFJRHSA-N 1 1 472.420 4.410 20 30 JIEDMO N#Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164757900 720891049 /nfs/dbraw/zinc/89/10/49/720891049.db2.gz WGOPWJUNYKBKEX-LADGPHEKSA-N 1 1 487.982 4.302 20 30 JIEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)c(C)c3C#N)C2)C1 ZINC001164779028 721341126 /nfs/dbraw/zinc/34/11/26/721341126.db2.gz PBKFYAZWFNZPTJ-JOCHJYFZSA-N 1 1 464.397 4.292 20 30 JIEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)c(C)c3C#N)C2)C1 ZINC001164779028 721341131 /nfs/dbraw/zinc/34/11/31/721341131.db2.gz PBKFYAZWFNZPTJ-JOCHJYFZSA-N 1 1 464.397 4.292 20 30 JIEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1 ZINC001164787769 721375691 /nfs/dbraw/zinc/37/56/91/721375691.db2.gz XKWBTFKJXPHHHA-HHHXNRCGSA-N 1 1 463.626 4.291 20 30 JIEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1 ZINC001164787769 721375693 /nfs/dbraw/zinc/37/56/93/721375693.db2.gz XKWBTFKJXPHHHA-HHHXNRCGSA-N 1 1 463.626 4.291 20 30 JIEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001164903120 721565525 /nfs/dbraw/zinc/56/55/25/721565525.db2.gz ARQMBVRVRAPFDW-RXVVDRJESA-N 1 1 465.916 4.275 20 30 JIEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)[C@@H]2CCCO[C@@H]12 ZINC001164811953 721589854 /nfs/dbraw/zinc/58/98/54/721589854.db2.gz ZDVSEVXJGZCSEB-YMPZKCBVSA-N 1 1 476.968 4.057 20 30 JIEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)[C@@H]2CCCO[C@@H]12 ZINC001164811953 721589858 /nfs/dbraw/zinc/58/98/58/721589858.db2.gz ZDVSEVXJGZCSEB-YMPZKCBVSA-N 1 1 476.968 4.057 20 30 JIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164803387 721592188 /nfs/dbraw/zinc/59/21/88/721592188.db2.gz HXOMMZYUMPWDAF-DPLHUUCSSA-N 1 1 465.960 4.471 20 30 JIEDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001165022158 721840691 /nfs/dbraw/zinc/84/06/91/721840691.db2.gz PSPZEXFFFZWENJ-UHFFFAOYSA-N 1 1 450.917 4.270 20 30 JIEDMO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001165053335 722005613 /nfs/dbraw/zinc/00/56/13/722005613.db2.gz NOVYVUOUQORFSR-DEOSSOPVSA-N 1 1 477.634 4.287 20 30 JIEDMO C=CCOC[C@H]1CCC[C@]12CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164973717 722169411 /nfs/dbraw/zinc/16/94/11/722169411.db2.gz CEBQHWGVRFSZHT-NLFFAJNJSA-N 1 1 456.656 4.482 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300643169 1069312429 /nfs/dbraw/zinc/31/24/29/1069312429.db2.gz PYMZSIKAPOMHQE-SZPZYZBQSA-N 1 1 462.617 4.431 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc[nH+]c1C ZINC001300644063 1069315043 /nfs/dbraw/zinc/31/50/43/1069315043.db2.gz XLSCIKZJJZFIEB-UHFFFAOYSA-N 1 1 482.361 4.020 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300648288 1069325975 /nfs/dbraw/zinc/32/59/75/1069325975.db2.gz MSVWFWDMZFNWOH-OYRHEFFESA-N 1 1 477.632 4.214 20 30 JIEDMO C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001300657410 1069357505 /nfs/dbraw/zinc/35/75/05/1069357505.db2.gz YLOQDYSHBYFHME-REWPJTCUSA-N 1 1 494.621 4.084 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+](C)[C@@H](C)CC)C1 ZINC001359315171 1069363900 /nfs/dbraw/zinc/36/39/00/1069363900.db2.gz PDEQVJGNINOKEQ-JKSUJKDBSA-N 1 1 468.465 4.281 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001359323199 1069375584 /nfs/dbraw/zinc/37/55/84/1069375584.db2.gz JTBFKZKKJMOPLP-GGAORHGYSA-N 1 1 455.622 4.157 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001359326058 1069382614 /nfs/dbraw/zinc/38/26/14/1069382614.db2.gz RRZLTKQTHVFYOZ-RBBKRZOGSA-N 1 1 460.022 4.166 20 30 JIEDMO CC(C)[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC001359467042 1069603581 /nfs/dbraw/zinc/60/35/81/1069603581.db2.gz LDYYQYJKJVXKFE-WOIUINJBSA-N 1 1 475.037 4.024 20 30 JIEDMO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359466660 1069601505 /nfs/dbraw/zinc/60/15/05/1069601505.db2.gz FPHHZUXYWUKBPY-KURKYZTESA-N 1 1 489.462 4.191 20 30 JIEDMO C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359473356 1069622812 /nfs/dbraw/zinc/62/28/12/1069622812.db2.gz AKXRULJHCYRLBK-PZJWPPBQSA-N 1 1 487.693 4.109 20 30 JIEDMO CC(C)(C)C1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001359498621 1069747764 /nfs/dbraw/zinc/74/77/64/1069747764.db2.gz HJBOTTPGFVFMLF-XMMPIXPASA-N 1 1 462.642 4.236 20 30 JIEDMO CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001359584216 1070012519 /nfs/dbraw/zinc/01/25/19/1070012519.db2.gz UGMIOSMLTXPBJI-UHFFFAOYSA-N 1 1 450.612 4.016 20 30 JIEDMO COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001315956519 1065502237 /nfs/dbraw/zinc/50/22/37/1065502237.db2.gz KKQPLXFOKRAEKN-UHFFFAOYSA-N 1 1 450.631 4.334 20 30 JIEDMO COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001316052454 1065678071 /nfs/dbraw/zinc/67/80/71/1065678071.db2.gz ROBIVOANMOMCNU-QFIPXVFZSA-N 1 1 494.684 4.349 20 30 JIEDMO COCC[N@@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001316062063 1065699998 /nfs/dbraw/zinc/69/99/98/1065699998.db2.gz ACOVNODLOAEBJU-VWLOTQADSA-N 1 1 470.687 4.374 20 30 JIEDMO COCC[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cccs1 ZINC001316066061 1065704487 /nfs/dbraw/zinc/70/44/87/1065704487.db2.gz UCBCTQGTLLRSOE-NRFANRHFSA-N 1 1 450.612 4.188 20 30 JIEDMO COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001316100334 1065766638 /nfs/dbraw/zinc/76/66/38/1065766638.db2.gz NXRRVOZPYKPJHT-MOPGFXCFSA-N 1 1 489.462 4.194 20 30 JIEDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@H](C)O1 ZINC001316503317 1066468322 /nfs/dbraw/zinc/46/83/22/1066468322.db2.gz JOQWLPXJHPPPOL-KDURUIRLSA-N 1 1 472.584 4.188 20 30 JIEDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@H](C)O1 ZINC001316503317 1066468327 /nfs/dbraw/zinc/46/83/27/1066468327.db2.gz JOQWLPXJHPPPOL-KDURUIRLSA-N 1 1 472.584 4.188 20 30 JIEDMO Cc1ccc(C(C)C)c(OCC2N=NC(=S)N2N=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001317910672 1066780551 /nfs/dbraw/zinc/78/05/51/1066780551.db2.gz VDOPRMVVLBJVSG-UHFFFAOYSA-N 1 1 482.629 4.351 20 30 JIEDMO N#CCCN(C(=O)CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccccc1 ZINC001318330226 1067019807 /nfs/dbraw/zinc/01/98/07/1067019807.db2.gz IBNMLRMXYZFRIM-UHFFFAOYSA-N 1 1 458.566 4.214 20 30 JIEDMO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001300690362 1067037238 /nfs/dbraw/zinc/03/72/38/1067037238.db2.gz JAWHJKPNJYRTDU-UHFFFAOYSA-N 1 1 455.050 4.008 20 30 JIEDMO COC1CCC(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001300725703 1067130192 /nfs/dbraw/zinc/13/01/92/1067130192.db2.gz NKXAJXXFVHOJMS-UHFFFAOYSA-N 1 1 464.658 4.266 20 30 JIEDMO 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COc1ccc(C(=O)c2ccccc2C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001300157292 1067813878 /nfs/dbraw/zinc/81/38/78/1067813878.db2.gz MHXJFMRZSBECBN-UHFFFAOYSA-N 1 1 453.542 4.192 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001300302785 1068145447 /nfs/dbraw/zinc/14/54/47/1068145447.db2.gz DUZPYMIUDZZTQG-RBBKRZOGSA-N 1 1 498.647 4.122 20 30 JIEDMO N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000510235396 1068161379 /nfs/dbraw/zinc/16/13/79/1068161379.db2.gz JFMOZKJXCKBSHI-HXUWFJFHSA-N 1 1 464.620 4.488 20 30 JIEDMO COc1ccccc1[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+](C)C ZINC000510240129 1068163525 /nfs/dbraw/zinc/16/35/25/1068163525.db2.gz CSVQVSLHHFCIPY-GOSISDBHSA-N 1 1 468.608 4.135 20 30 JIEDMO N#Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)s2)c(C(F)(F)F)c1 ZINC001353592928 1068357711 /nfs/dbraw/zinc/35/77/11/1068357711.db2.gz KFAUJBTZNVMNOA-UHFFFAOYSA-N 1 1 454.437 4.457 20 30 JIEDMO 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C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001359049669 1068670087 /nfs/dbraw/zinc/67/00/87/1068670087.db2.gz UGOCEXFUILVZHB-WOJBJXKFSA-N 1 1 471.646 4.234 20 30 JIEDMO C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300438801 1068707350 /nfs/dbraw/zinc/70/73/50/1068707350.db2.gz WRCLFPCDFOINHD-QGZVFWFLSA-N 1 1 458.031 4.384 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001359066568 1068713747 /nfs/dbraw/zinc/71/37/47/1068713747.db2.gz GQSTZEXZZNLCDP-HRAATJIYSA-N 1 1 462.461 4.493 20 30 JIEDMO C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001300441349 1068716758 /nfs/dbraw/zinc/71/67/58/1068716758.db2.gz LQOPVAIQXLXWBN-GOSISDBHSA-N 1 1 451.615 4.472 20 30 JIEDMO C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359085979 1068766674 /nfs/dbraw/zinc/76/66/74/1068766674.db2.gz GJQPHXADCFRCOB-UHFFFAOYSA-N 1 1 476.463 4.291 20 30 JIEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001359092455 1068790710 /nfs/dbraw/zinc/79/07/10/1068790710.db2.gz AZDUSFFYNPSZHK-UKILVPOCSA-N 1 1 481.685 4.382 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001359101341 1068805987 /nfs/dbraw/zinc/80/59/87/1068805987.db2.gz NGPVQCWLAZYZBP-QPPBQGQZSA-N 1 1 458.050 4.424 20 30 JIEDMO C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001359108345 1068818247 /nfs/dbraw/zinc/81/82/47/1068818247.db2.gz KMKBJXYDCBDIRJ-NRFANRHFSA-N 1 1 463.630 4.239 20 30 JIEDMO C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001359109015 1068819479 /nfs/dbraw/zinc/81/94/79/1068819479.db2.gz MHZCSOWANJQLLB-UHFFFAOYSA-N 1 1 450.631 4.367 20 30 JIEDMO C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001300475463 1068823415 /nfs/dbraw/zinc/82/34/15/1068823415.db2.gz KJSCPHPMFCOFHJ-GOSISDBHSA-N 1 1 450.414 4.498 20 30 JIEDMO C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001359117082 1068826377 /nfs/dbraw/zinc/82/63/77/1068826377.db2.gz CQJFZPQXRNCXCZ-FYYLOGMGSA-N 1 1 487.092 4.481 20 30 JIEDMO C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359117402 1068826630 /nfs/dbraw/zinc/82/66/30/1068826630.db2.gz YMCDORYAZFKHEN-RTWAWAEBSA-N 1 1 474.049 4.423 20 30 JIEDMO C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001359127594 1068837798 /nfs/dbraw/zinc/83/77/98/1068837798.db2.gz VCSHJCQWNGCVHQ-SVFBPWRDSA-N 1 1 460.022 4.337 20 30 JIEDMO C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001359147465 1068859814 /nfs/dbraw/zinc/85/98/14/1068859814.db2.gz HUVUZMAVXOCWJN-QGZVFWFLSA-N 1 1 482.854 4.397 20 30 JIEDMO C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001359161816 1068872803 /nfs/dbraw/zinc/87/28/03/1068872803.db2.gz RUAMRBLMJFPEQP-IBGZPJMESA-N 1 1 474.447 4.365 20 30 JIEDMO C=C1CCN(c2nnc(-c3ccccc3Br)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001359163129 1068874060 /nfs/dbraw/zinc/87/40/60/1068874060.db2.gz RXXFZRQZJAYIHG-IBGZPJMESA-N 1 1 474.447 4.365 20 30 JIEDMO C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359166508 1068876731 /nfs/dbraw/zinc/87/67/31/1068876731.db2.gz VRUNCHYELAHRNJ-KDURUIRLSA-N 1 1 459.585 4.191 20 30 JIEDMO C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001359167355 1068877167 /nfs/dbraw/zinc/87/71/67/1068877167.db2.gz CPESUCDKECDGAG-QFIPXVFZSA-N 1 1 454.022 4.252 20 30 JIEDMO C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001359174900 1068887543 /nfs/dbraw/zinc/88/75/43/1068887543.db2.gz SYMULYFPQMHFFT-NRFANRHFSA-N 1 1 483.657 4.494 20 30 JIEDMO C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001359175546 1068888568 /nfs/dbraw/zinc/88/85/68/1068888568.db2.gz QATWZYWIHZDHFR-MRXNPFEDSA-N 1 1 494.865 4.484 20 30 JIEDMO C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001359175546 1068888573 /nfs/dbraw/zinc/88/85/73/1068888573.db2.gz QATWZYWIHZDHFR-MRXNPFEDSA-N 1 1 494.865 4.484 20 30 JIEDMO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300511443 1068889107 /nfs/dbraw/zinc/88/91/07/1068889107.db2.gz IUCAVVUUIQLWDV-SIKLNZKXSA-N 1 1 454.018 4.265 20 30 JIEDMO C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001359178637 1068895937 /nfs/dbraw/zinc/89/59/37/1068895937.db2.gz XPPZILMMQHLIKR-VXKWHMMOSA-N 1 1 472.678 4.279 20 30 JIEDMO C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001359183777 1068909967 /nfs/dbraw/zinc/90/99/67/1068909967.db2.gz TZHFKPIDBHGKFU-RXFWQSSRSA-N 1 1 471.621 4.461 20 30 JIEDMO C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359210558 1068993805 /nfs/dbraw/zinc/99/38/05/1068993805.db2.gz XUWSUXHDTLSIKD-OYRHEFFESA-N 1 1 483.657 4.254 20 30 JIEDMO C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001359211318 1068995674 /nfs/dbraw/zinc/99/56/74/1068995674.db2.gz YNURAJXGBFIUOL-RXVVDRJESA-N 1 1 474.447 4.139 20 30 JIEDMO C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001359220992 1069009228 /nfs/dbraw/zinc/00/92/28/1069009228.db2.gz ORFCPQVVTCSDPO-NRFANRHFSA-N 1 1 490.693 4.111 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001300557008 1069015094 /nfs/dbraw/zinc/01/50/94/1069015094.db2.gz OZIPVTBKAMOMCA-PMACEKPBSA-N 1 1 452.002 4.019 20 30 JIEDMO C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001359223961 1069015073 /nfs/dbraw/zinc/01/50/73/1069015073.db2.gz BFPQTXYCNOUKFJ-FQEVSTJZSA-N 1 1 462.623 4.354 20 30 JIEDMO C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359224551 1069017026 /nfs/dbraw/zinc/01/70/26/1069017026.db2.gz VPHNOCDJPCPSBX-GOSISDBHSA-N 1 1 478.012 4.020 20 30 JIEDMO C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359235894 1069035444 /nfs/dbraw/zinc/03/54/44/1069035444.db2.gz RHLGSKJOGIONEG-UHFFFAOYSA-N 1 1 453.612 4.094 20 30 JIEDMO COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300562708 1069038218 /nfs/dbraw/zinc/03/82/18/1069038218.db2.gz LPBLTDHORDJWLG-IPVFLDMMSA-N 1 1 450.631 4.128 20 30 JIEDMO C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001359239592 1069039849 /nfs/dbraw/zinc/03/98/49/1069039849.db2.gz RWKUXBFEENFNTP-VXKWHMMOSA-N 1 1 474.694 4.383 20 30 JIEDMO C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001359240625 1069042087 /nfs/dbraw/zinc/04/20/87/1069042087.db2.gz UAAMUMGAXMTZBP-OAQYLSRUSA-N 1 1 494.684 4.462 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001300565860 1069054326 /nfs/dbraw/zinc/05/43/26/1069054326.db2.gz XNXWKRHRSZPTCT-UHFFFAOYSA-N 1 1 451.924 4.336 20 30 JIEDMO C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC001359246153 1069066794 /nfs/dbraw/zinc/06/67/94/1069066794.db2.gz RMLGHPRAKACODV-UHFFFAOYSA-N 1 1 450.631 4.424 20 30 JIEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849500035 1069070494 /nfs/dbraw/zinc/07/04/94/1069070494.db2.gz WWOIWANHKHMPKW-DHIUTWEWSA-N 1 1 458.566 4.240 20 30 JIEDMO C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300591537 1069156984 /nfs/dbraw/zinc/15/69/84/1069156984.db2.gz SLDCPGNSZGYRMQ-KRWDZBQOSA-N 1 1 460.409 4.110 20 30 JIEDMO C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC[N@@H+]1CCC)C1CC1 ZINC001359251459 1069169177 /nfs/dbraw/zinc/16/91/77/1069169177.db2.gz LOLHKVRSWWOJBV-YADHBBJMSA-N 1 1 488.677 4.006 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001300595844 1069172129 /nfs/dbraw/zinc/17/21/29/1069172129.db2.gz RFIPIRLCCGNQJL-ZONZVBGPSA-N 1 1 487.692 4.224 20 30 JIEDMO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[N@H+]1CCc2sccc2C1 ZINC001300609227 1069209855 /nfs/dbraw/zinc/20/98/55/1069209855.db2.gz KVWRBEHZUPMXAI-UHFFFAOYSA-N 1 1 488.430 4.426 20 30 JIEDMO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359258222 1069268429 /nfs/dbraw/zinc/26/84/29/1069268429.db2.gz KCKKJRKACHSFST-XJUOHMSHSA-N 1 1 464.658 4.178 20 30 JIEDMO C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001359260186 1069280003 /nfs/dbraw/zinc/28/00/03/1069280003.db2.gz WCWTYOMBIJGMHA-UHFFFAOYSA-N 1 1 456.654 4.181 20 30 JIEDMO C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001359271572 1069309019 /nfs/dbraw/zinc/30/90/19/1069309019.db2.gz YHYKFMMKDRHDRJ-SFTDATJTSA-N 1 1 481.645 4.030 20 30 JIEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626686 719085483 /nfs/dbraw/zinc/08/54/83/719085483.db2.gz PBZZEBJQMXVJAN-PXNSSMCTSA-N 1 1 474.939 4.429 20 30 JIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664870 719359216 /nfs/dbraw/zinc/35/92/16/719359216.db2.gz QXIPZSLSGDRMML-NAKRPHOHSA-N 1 1 474.653 4.409 20 30 JIEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2 ZINC001164813924 720204110 /nfs/dbraw/zinc/20/41/10/720204110.db2.gz QUXHIZUJDVHQOS-YKSBVNFPSA-N 1 1 487.982 4.398 20 30 JIEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838775 720610974 /nfs/dbraw/zinc/61/09/74/720610974.db2.gz LTPDQBQGVABRDN-CMTIAEDTSA-N 1 1 470.621 4.301 20 30 JIEDMO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(C#N)c(Cl)c2c1 ZINC001164748168 720861811 /nfs/dbraw/zinc/86/18/11/720861811.db2.gz KVAHNKXEMOYINE-YCRNBWNJSA-N 1 1 462.001 4.039 20 30 JIEDMO N#Cc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164747863 720872565 /nfs/dbraw/zinc/87/25/65/720872565.db2.gz BZVOEPMUQRXKHC-QPPBQGQZSA-N 1 1 487.982 4.302 20 30 JIEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755644 720882650 /nfs/dbraw/zinc/88/26/50/720882650.db2.gz MIRKZRKBNAUYGK-GBXCKJPGSA-N 1 1 487.982 4.302 20 30 JIEDMO N#Cc1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756882 720884619 /nfs/dbraw/zinc/88/46/19/720884619.db2.gz RVNCNFQSFSDCMX-LBNVMWSVSA-N 1 1 453.590 4.257 20 30 JIEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868113 721197080 /nfs/dbraw/zinc/19/70/80/721197080.db2.gz KTYLSMWVAJQMRY-QZTJIDSGSA-N 1 1 451.933 4.082 20 30 JIEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164786847 721452039 /nfs/dbraw/zinc/45/20/39/721452039.db2.gz NYXSDWDMDJHFGO-FTJBHMTQSA-N 1 1 489.664 4.174 20 30 JIEDMO CCCc1cc(C#N)c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1Cl ZINC001164787511 721461775 /nfs/dbraw/zinc/46/17/75/721461775.db2.gz RCOQPKSJMRJHBF-QFIPXVFZSA-N 1 1 461.050 4.293 20 30 JIEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1F ZINC001164909934 721536461 /nfs/dbraw/zinc/53/64/61/721536461.db2.gz SOFMGYOOCBRLKS-HKUYNNGSSA-N 1 1 467.907 4.289 20 30 JIEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904158 721586263 /nfs/dbraw/zinc/58/62/63/721586263.db2.gz DIZPUMMRWGFZMG-LJQANCHMSA-N 1 1 453.871 4.284 20 30 JIEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)[C@@H]2CCCO[C@@H]21 ZINC001164807633 721589598 /nfs/dbraw/zinc/58/95/98/721589598.db2.gz PAGBSCQNXGGHCJ-MZYLBHOOSA-N 1 1 476.968 4.057 20 30 JIEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)[C@@H]2CCCO[C@@H]21 ZINC001164807633 721589601 /nfs/dbraw/zinc/58/96/01/721589601.db2.gz PAGBSCQNXGGHCJ-MZYLBHOOSA-N 1 1 476.968 4.057 20 30 JIEDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001165023211 721841547 /nfs/dbraw/zinc/84/15/47/721841547.db2.gz YQUCIHBFRXGWKZ-UHFFFAOYSA-N 1 1 450.917 4.270 20 30 JIEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976329 722159567 /nfs/dbraw/zinc/15/95/67/722159567.db2.gz WSHAMJKAOXUTTP-ZHRRBRCNSA-N 1 1 469.923 4.160 20 30 JIEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164973714 722169286 /nfs/dbraw/zinc/16/92/86/722169286.db2.gz CEBQHWGVRFSZHT-CJFMBICVSA-N 1 1 456.656 4.482 20 30 JIEDMO C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001359272257 1069310246 /nfs/dbraw/zinc/31/02/46/1069310246.db2.gz NWAVFDLCOPRINP-JOCHJYFZSA-N 1 1 472.678 4.445 20 30 JIEDMO C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300644080 1069315157 /nfs/dbraw/zinc/31/51/57/1069315157.db2.gz QYAPHHKKPIDHBG-OAQYLSRUSA-N 1 1 462.063 4.040 20 30 JIEDMO C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001359290894 1069339452 /nfs/dbraw/zinc/33/94/52/1069339452.db2.gz VCQGBGZDYYEOTI-QFIPXVFZSA-N 1 1 496.656 4.175 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001359312492 1069356442 /nfs/dbraw/zinc/35/64/42/1069356442.db2.gz VWQKCCAFJRXUBF-GBXCKJPGSA-N 1 1 494.684 4.439 20 30 JIEDMO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001359316285 1069367800 /nfs/dbraw/zinc/36/78/00/1069367800.db2.gz LVNPTPDNQYQOET-ICSRJNTNSA-N 1 1 460.022 4.120 20 30 JIEDMO C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001359324272 1069377813 /nfs/dbraw/zinc/37/78/13/1069377813.db2.gz HNLQPXYGOWMEFD-ISKFKSNPSA-N 1 1 453.631 4.067 20 30 JIEDMO C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001300673175 1069413583 /nfs/dbraw/zinc/41/35/83/1069413583.db2.gz GQXHEZVPXOJNDK-NFBKMPQASA-N 1 1 469.680 4.161 20 30 JIEDMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001359411144 1069525194 /nfs/dbraw/zinc/52/51/94/1069525194.db2.gz CAASOMWAYGTSAD-XPWZEYHZSA-N 1 1 491.684 4.068 20 30 JIEDMO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001359469515 1069614747 /nfs/dbraw/zinc/61/47/47/1069614747.db2.gz GPCVBSZKQXILSH-SJORKVTESA-N 1 1 465.429 4.349 20 30 JIEDMO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001359476680 1069634590 /nfs/dbraw/zinc/63/45/90/1069634590.db2.gz IWFONTPWHZMHIJ-VQTJNVASSA-N 1 1 461.614 4.210 20 30 JIEDMO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001359477697 1069639520 /nfs/dbraw/zinc/63/95/20/1069639520.db2.gz DCCUMZDSTDQIMW-IQFVJIFQSA-N 1 1 464.658 4.457 20 30 JIEDMO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359478592 1069643430 /nfs/dbraw/zinc/64/34/30/1069643430.db2.gz WHMVCPBFUYIBLE-AGILITTLSA-N 1 1 464.658 4.241 20 30 JIEDMO CC(C)(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001359534537 1069827569 /nfs/dbraw/zinc/82/75/69/1069827569.db2.gz XOANTVXLTJOEFG-DEOSSOPVSA-N 1 1 478.685 4.308 20 30 JIEDMO CC(C)(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001359534537 1069827571 /nfs/dbraw/zinc/82/75/71/1069827571.db2.gz XOANTVXLTJOEFG-DEOSSOPVSA-N 1 1 478.685 4.308 20 30 JIEDMO COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001315667989 1064889501 /nfs/dbraw/zinc/88/95/01/1064889501.db2.gz RYGLSZARMQYZMV-QFQXNSOFSA-N 1 1 498.697 4.210 20 30 JIEDMO COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315893699 1065356652 /nfs/dbraw/zinc/35/66/52/1065356652.db2.gz HKIZFFKQSLIQOF-FUPPJEDESA-N 1 1 464.658 4.436 20 30 JIEDMO COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315894122 1065358079 /nfs/dbraw/zinc/35/80/79/1065358079.db2.gz ZZDXVZQTSKSTHW-AOHZBQACSA-N 1 1 464.658 4.438 20 30 JIEDMO COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+](C)C1CCCC1)[C@H]1CC[C@H](C)C1 ZINC001316075332 1065713281 /nfs/dbraw/zinc/71/32/81/1065713281.db2.gz BTYDNWKUCVXDLQ-RDPSFJRHSA-N 1 1 450.631 4.333 20 30 JIEDMO COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001316084400 1065734127 /nfs/dbraw/zinc/73/41/27/1065734127.db2.gz FQKZLJFTXAOFAN-NRFANRHFSA-N 1 1 452.647 4.436 20 30 JIEDMO COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001316173044 1065846952 /nfs/dbraw/zinc/84/69/52/1065846952.db2.gz WMHOZEPAIBPWRQ-WIYYLYMNSA-N 1 1 475.037 4.088 20 30 JIEDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)C2CC2)C[C@H](C)O1 ZINC001316502599 1066466365 /nfs/dbraw/zinc/46/63/65/1066466365.db2.gz ADDNYWZTMGKGCT-BGYRXZFFSA-N 1 1 450.631 4.188 20 30 JIEDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)C2CC2)C[C@H](C)O1 ZINC001316502599 1066466373 /nfs/dbraw/zinc/46/63/73/1066466373.db2.gz ADDNYWZTMGKGCT-BGYRXZFFSA-N 1 1 450.631 4.188 20 30 JIEDMO C[NH+]1CCN(c2ccc(C=NN3C(=S)N=NC3COc3c(Cl)cccc3Cl)cc2F)CC1 ZINC001317894472 1066764218 /nfs/dbraw/zinc/76/42/18/1066764218.db2.gz WHQYSTAMTXZADS-UHFFFAOYSA-N 1 1 495.411 4.226 20 30 JIEDMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001318310645 1067011776 /nfs/dbraw/zinc/01/17/76/1067011776.db2.gz IPICTDRSFVSBJJ-UHFFFAOYSA-N 1 1 477.609 4.000 20 30 JIEDMO C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001300693281 1067044176 /nfs/dbraw/zinc/04/41/76/1067044176.db2.gz WITKOXXGEVVGNT-NRFANRHFSA-N 1 1 499.501 4.117 20 30 JIEDMO C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC001320810941 1067094591 /nfs/dbraw/zinc/09/45/91/1067094591.db2.gz JOWDNAXXMAEVDQ-FQEVSTJZSA-N 1 1 474.026 4.032 20 30 JIEDMO C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001300746472 1067257194 /nfs/dbraw/zinc/25/71/94/1067257194.db2.gz SQRJVFMSWWGIQX-QGZVFWFLSA-N 1 1 450.027 4.272 20 30 JIEDMO CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001352176881 1067306082 /nfs/dbraw/zinc/30/60/82/1067306082.db2.gz SHLBYBRPHKSRTG-XZOQPEGZSA-N 1 1 456.631 4.477 20 30 JIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC001355013802 1067336703 /nfs/dbraw/zinc/33/67/03/1067336703.db2.gz YEOFQDOLQGMNEO-QGZVFWFLSA-N 1 1 455.530 4.464 20 30 JIEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC001355013802 1067336721 /nfs/dbraw/zinc/33/67/21/1067336721.db2.gz YEOFQDOLQGMNEO-QGZVFWFLSA-N 1 1 455.530 4.464 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[N@H+](C)CCOC ZINC001300789535 1067357853 /nfs/dbraw/zinc/35/78/53/1067357853.db2.gz OUHOADPNCZWOAE-UQBPGWFLSA-N 1 1 455.672 4.092 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300790829 1067360982 /nfs/dbraw/zinc/36/09/82/1067360982.db2.gz XDSGHNMGIHVGOP-NXMSCROESA-N 1 1 459.997 4.229 20 30 JIEDMO COc1cc(NC(=S)Nc2ccccc2Cl)c(C#N)cc1OCCC[NH+]1CCOCC1 ZINC001200862248 1067369754 /nfs/dbraw/zinc/36/97/54/1067369754.db2.gz QFMCFFDVGODADB-UHFFFAOYSA-N 1 1 460.987 4.130 20 30 JIEDMO CCCCCCCCCCNC(=S)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001200211458 1067849499 /nfs/dbraw/zinc/84/94/99/1067849499.db2.gz PCRXRAGJTPPBEY-VWLOTQADSA-N 1 1 462.704 4.000 20 30 JIEDMO CCCCCCCCCCNC(=S)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001200211458 1067849500 /nfs/dbraw/zinc/84/95/00/1067849500.db2.gz PCRXRAGJTPPBEY-VWLOTQADSA-N 1 1 462.704 4.000 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300302613 1068146124 /nfs/dbraw/zinc/14/61/24/1068146124.db2.gz CLJGUXRULDLLBP-ZRBLBEILSA-N 1 1 486.705 4.219 20 30 JIEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300332476 1068282457 /nfs/dbraw/zinc/28/24/57/1068282457.db2.gz HKYURLVXTDKPPW-OYRHEFFESA-N 1 1 476.669 4.358 20 30 JIEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300334740 1068302790 /nfs/dbraw/zinc/30/27/90/1068302790.db2.gz RTMYHTIWFZWEEB-OAQYLSRUSA-N 1 1 464.658 4.043 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001358875128 1068369635 /nfs/dbraw/zinc/36/96/35/1068369635.db2.gz JLXHOXMEQOAHBG-GOSISDBHSA-N 1 1 495.469 4.341 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001358881948 1068381317 /nfs/dbraw/zinc/38/13/17/1068381317.db2.gz PVTPDPYAAFLHQI-CTNGQTDRSA-N 1 1 462.598 4.365 20 30 JIEDMO C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001300367335 1068406882 /nfs/dbraw/zinc/40/68/82/1068406882.db2.gz CPDIMMPHYBJPPW-FQEVSTJZSA-N 1 1 478.666 4.329 20 30 JIEDMO C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001358906259 1068416284 /nfs/dbraw/zinc/41/62/84/1068416284.db2.gz BANYNXQAGIKMNP-UHFFFAOYSA-N 1 1 497.594 4.023 20 30 JIEDMO C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC001358923660 1068465483 /nfs/dbraw/zinc/46/54/83/1068465483.db2.gz WKXXDECCGPRBRD-NRFANRHFSA-N 1 1 488.474 4.367 20 30 JIEDMO C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358946255 1068498093 /nfs/dbraw/zinc/49/80/93/1068498093.db2.gz OFLLWXGOXIAESA-SZPZYZBQSA-N 1 1 489.668 4.063 20 30 JIEDMO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001358978093 1068526588 /nfs/dbraw/zinc/52/65/88/1068526588.db2.gz CULAMQKOFBJXLW-ZEQRLZLVSA-N 1 1 496.700 4.120 20 30 JIEDMO C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001358982053 1068528958 /nfs/dbraw/zinc/52/89/58/1068528958.db2.gz HXECRRTXXWECAO-RUZDIDTESA-N 1 1 461.654 4.482 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001358985747 1068535129 /nfs/dbraw/zinc/53/51/29/1068535129.db2.gz GPOHZMGXFUNTBH-SFTDATJTSA-N 1 1 454.018 4.266 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001358986270 1068537175 /nfs/dbraw/zinc/53/71/75/1068537175.db2.gz RUWKTWLEDGDZKX-FSSWDIPSSA-N 1 1 451.590 4.141 20 30 JIEDMO 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C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359042015 1068657139 /nfs/dbraw/zinc/65/71/39/1068657139.db2.gz OOKUSCNGYBHRNF-NRFANRHFSA-N 1 1 497.087 4.076 20 30 JIEDMO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001359049750 1068669585 /nfs/dbraw/zinc/66/95/85/1068669585.db2.gz VNTFEPWIKXZGCW-YADHBBJMSA-N 1 1 453.656 4.076 20 30 JIEDMO C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001359051481 1068677679 /nfs/dbraw/zinc/67/76/79/1068677679.db2.gz YCMRCAKJJKICTL-MRXNPFEDSA-N 1 1 482.517 4.304 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[N@@H+]1CC ZINC001359067201 1068715058 /nfs/dbraw/zinc/71/50/58/1068715058.db2.gz DUHRYASUDCABAW-VGOFRKELSA-N 1 1 460.395 4.323 20 30 JIEDMO C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001359087595 1068770668 /nfs/dbraw/zinc/77/06/68/1068770668.db2.gz KYZKKDAFUIKOSJ-KRWDZBQOSA-N 1 1 466.811 4.094 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001359096020 1068801314 /nfs/dbraw/zinc/80/13/14/1068801314.db2.gz VUTQSEFDFGVWLL-FVJLSDCUSA-N 1 1 492.437 4.358 20 30 JIEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC001359097333 1068802624 /nfs/dbraw/zinc/80/26/24/1068802624.db2.gz NSKXKJCGNQHWBC-RPWUZVMVSA-N 1 1 452.647 4.270 20 30 JIEDMO C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001359107838 1068817497 /nfs/dbraw/zinc/81/74/97/1068817497.db2.gz WSEFMXGFWARPRQ-CYFREDJKSA-N 1 1 462.038 4.157 20 30 JIEDMO C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001359117083 1068826330 /nfs/dbraw/zinc/82/63/30/1068826330.db2.gz CQJFZPQXRNCXCZ-GGAORHGYSA-N 1 1 487.092 4.481 20 30 JIEDMO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001359118952 1068829656 /nfs/dbraw/zinc/82/96/56/1068829656.db2.gz MURDAFVSPRYCFR-MRXNPFEDSA-N 1 1 468.465 4.282 20 30 JIEDMO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359122741 1068833800 /nfs/dbraw/zinc/83/38/00/1068833800.db2.gz SWMLJYLXSOHSTE-OYRHEFFESA-N 1 1 457.066 4.093 20 30 JIEDMO C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001359123464 1068834093 /nfs/dbraw/zinc/83/40/93/1068834093.db2.gz PAPUPKVRHLBSJG-HSZRJFAPSA-N 1 1 487.092 4.044 20 30 JIEDMO C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC001359152484 1068863204 /nfs/dbraw/zinc/86/32/04/1068863204.db2.gz YPOJVFNTVBTKCD-HXUWFJFHSA-N 1 1 452.430 4.212 20 30 JIEDMO C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001359156326 1068867549 /nfs/dbraw/zinc/86/75/49/1068867549.db2.gz BSCMXUHZKVRGSF-GOSISDBHSA-N 1 1 468.454 4.277 20 30 JIEDMO C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001359162226 1068873218 /nfs/dbraw/zinc/87/32/18/1068873218.db2.gz JJXPPFDHBOWDNN-HSZRJFAPSA-N 1 1 483.657 4.256 20 30 JIEDMO C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001359162518 1068873640 /nfs/dbraw/zinc/87/36/40/1068873640.db2.gz UBRPIDIHVCEHQN-UHFFFAOYSA-N 1 1 483.657 4.400 20 30 JIEDMO C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+](CC)CCC)CC1 ZINC001359165107 1068875182 /nfs/dbraw/zinc/87/51/82/1068875182.db2.gz GYANHCPQJWWUOG-UHFFFAOYSA-N 1 1 460.667 4.281 20 30 JIEDMO C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001359167354 1068877249 /nfs/dbraw/zinc/87/72/49/1068877249.db2.gz CPESUCDKECDGAG-JOCHJYFZSA-N 1 1 454.022 4.252 20 30 JIEDMO C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001359173449 1068885439 /nfs/dbraw/zinc/88/54/39/1068885439.db2.gz GRSVDQLDXFUOPI-DENIHFKCSA-N 1 1 474.049 4.321 20 30 JIEDMO C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001359182187 1068905702 /nfs/dbraw/zinc/90/57/02/1068905702.db2.gz WAKXNHZAJXUDFT-UHFFFAOYSA-N 1 1 468.715 4.307 20 30 JIEDMO C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001359182269 1068906537 /nfs/dbraw/zinc/90/65/37/1068906537.db2.gz ZKJZKNDOZGQYAR-UHFFFAOYSA-N 1 1 484.714 4.007 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300519950 1068908763 /nfs/dbraw/zinc/90/87/63/1068908763.db2.gz BIHWJIVDVBVZBB-ICSRJNTNSA-N 1 1 468.443 4.209 20 30 JIEDMO C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001359183996 1068910469 /nfs/dbraw/zinc/91/04/69/1068910469.db2.gz ZGNHXETYIQSEAW-JTAQYXEDSA-N 1 1 471.621 4.316 20 30 JIEDMO C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001359185063 1068916092 /nfs/dbraw/zinc/91/60/92/1068916092.db2.gz KHZWEKZFYBWAMQ-NZQKXSOJSA-N 1 1 453.631 4.103 20 30 JIEDMO C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359186230 1068919558 /nfs/dbraw/zinc/91/95/58/1068919558.db2.gz YWYASZQFCBPLJH-FQEVSTJZSA-N 1 1 453.631 4.246 20 30 JIEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1cccc(Br)c1C#N ZINC001354146882 1068930827 /nfs/dbraw/zinc/93/08/27/1068930827.db2.gz FAQFPCXTAIFTSD-IBGZPJMESA-N 1 1 456.384 4.070 20 30 JIEDMO C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001359209934 1068991422 /nfs/dbraw/zinc/99/14/22/1068991422.db2.gz DQKQJIIKYGLCCO-IRXDYDNUSA-N 1 1 460.420 4.355 20 30 JIEDMO C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359223105 1069012864 /nfs/dbraw/zinc/01/28/64/1069012864.db2.gz AQUMVRILIRRBQX-UHFFFAOYSA-N 1 1 460.582 4.023 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+](C)CCCC ZINC001300562061 1069035404 /nfs/dbraw/zinc/03/54/04/1069035404.db2.gz ZPQJKTWDUKLGOU-UHFFFAOYSA-N 1 1 460.395 4.042 20 30 JIEDMO C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359239179 1069039739 /nfs/dbraw/zinc/03/97/39/1069039739.db2.gz HPXUJDVRUAJEGO-HXUWFJFHSA-N 1 1 486.686 4.135 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCC[N@@H+]1CCC ZINC001300569155 1069069997 /nfs/dbraw/zinc/06/99/97/1069069997.db2.gz DFXJYDHUCQWXMZ-OAQYLSRUSA-N 1 1 498.469 4.444 20 30 JIEDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 ZINC000849501736 1069075633 /nfs/dbraw/zinc/07/56/33/1069075633.db2.gz ACWCMNZRAQNVJX-RTBURBONSA-N 1 1 488.539 4.032 20 30 JIEDMO C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001300597429 1069177267 /nfs/dbraw/zinc/17/72/67/1069177267.db2.gz HWYRPUYKIAYJPO-DEOSSOPVSA-N 1 1 462.642 4.404 20 30 JIEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849602709 1069260585 /nfs/dbraw/zinc/26/05/85/1069260585.db2.gz QBBZGGCIEOWQCC-RBUKOAKNSA-N 1 1 461.404 4.200 20 30 JIEDMO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](CC(C)C)CC2)cc1C ZINC001164657590 719337150 /nfs/dbraw/zinc/33/71/50/719337150.db2.gz TVMGJLBSYXDKAU-DEOSSOPVSA-N 1 1 477.634 4.063 20 30 JIEDMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164698712 719856952 /nfs/dbraw/zinc/85/69/52/719856952.db2.gz CWVSCEMGZDHBGK-RXFWQSSRSA-N 1 1 476.602 4.068 20 30 JIEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164710599 720098537 /nfs/dbraw/zinc/09/85/37/720098537.db2.gz JQXPFFMRHGTVIK-UIOOFZCWSA-N 1 1 482.632 4.343 20 30 JIEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)c(C)c1C#N)CC2 ZINC001164710279 720104366 /nfs/dbraw/zinc/10/43/66/720104366.db2.gz IHHZQTFHWWLDRZ-GOSISDBHSA-N 1 1 460.409 4.471 20 30 JIEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164714928 720121631 /nfs/dbraw/zinc/12/16/31/720121631.db2.gz FNOSHDHCQCOHJE-LJQANCHMSA-N 1 1 461.944 4.054 20 30 JIEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164719128 720126468 /nfs/dbraw/zinc/12/64/68/720126468.db2.gz WNHXJIRVKIVUED-LADGPHEKSA-N 1 1 486.595 4.174 20 30 JIEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164731140 720487579 /nfs/dbraw/zinc/48/75/79/720487579.db2.gz WBIUJRXVJXENIQ-FGZHOGPDSA-N 1 1 466.923 4.462 20 30 JIEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164731140 720487589 /nfs/dbraw/zinc/48/75/89/720487589.db2.gz WBIUJRXVJXENIQ-FGZHOGPDSA-N 1 1 466.923 4.462 20 30 JIEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164835868 720564063 /nfs/dbraw/zinc/56/40/63/720564063.db2.gz ISOGZXGJSUTYOG-MQSCRBSSSA-N 1 1 473.650 4.311 20 30 JIEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@@H]21 ZINC001164839773 720642035 /nfs/dbraw/zinc/64/20/35/720642035.db2.gz OOFLDPOIJVQBOM-ONTIZHBOSA-N 1 1 478.000 4.368 20 30 JIEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@@H]21 ZINC001164842840 720643189 /nfs/dbraw/zinc/64/31/89/720643189.db2.gz VUUXXMGEJOMPSQ-HKBOAZHASA-N 1 1 478.000 4.368 20 30 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COc1ccc(CCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300116845 1067727520 /nfs/dbraw/zinc/72/75/20/1067727520.db2.gz IDLSNIYFIRQFPM-HSZRJFAPSA-N 1 1 464.658 4.322 20 30 JIEDMO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300272953 1068054322 /nfs/dbraw/zinc/05/43/22/1068054322.db2.gz QZJAFEJVYMROHJ-JOCHJYFZSA-N 1 1 466.630 4.116 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300276601 1068060270 /nfs/dbraw/zinc/06/02/70/1068060270.db2.gz NTHPQJQQWYKRLT-BEFAXECRSA-N 1 1 462.411 4.425 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300298367 1068133224 /nfs/dbraw/zinc/13/32/24/1068133224.db2.gz BLVFQCOHUUSLGL-VXKWHMMOSA-N 1 1 489.668 4.062 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001300302786 1068145653 /nfs/dbraw/zinc/14/56/53/1068145653.db2.gz DUZPYMIUDZZTQG-UNMCSNQZSA-N 1 1 498.647 4.122 20 30 JIEDMO C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001300302910 1068147433 /nfs/dbraw/zinc/14/74/33/1068147433.db2.gz FINZPGWRMCGSMW-FGZHOGPDSA-N 1 1 489.668 4.178 20 30 JIEDMO COc1cccc(C2([NH2+]CC(=O)Nc3sc4c(c3C#N)CCCCC4)CCOCC2)c1F ZINC001473431525 1068172929 /nfs/dbraw/zinc/17/29/29/1068172929.db2.gz FZUFTKWAYXSXJW-UHFFFAOYSA-N 1 1 457.571 4.270 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001300319493 1068229408 /nfs/dbraw/zinc/22/94/08/1068229408.db2.gz BPDUOTIBGIRGRT-QNWVGRARSA-N 1 1 490.677 4.028 20 30 JIEDMO C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300352339 1068366012 /nfs/dbraw/zinc/36/60/12/1068366012.db2.gz KFOLXYWOSREBOQ-UHFFFAOYSA-N 1 1 488.474 4.306 20 30 JIEDMO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001358876105 1068373028 /nfs/dbraw/zinc/37/30/28/1068373028.db2.gz CDOVXKHGRKWKQQ-YESZJQIVSA-N 1 1 462.411 4.425 20 30 JIEDMO 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C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001358923945 1068467914 /nfs/dbraw/zinc/46/79/14/1068467914.db2.gz HMACOVDSCVEHTQ-BGYRXZFFSA-N 1 1 473.040 4.146 20 30 JIEDMO C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001358934350 1068481098 /nfs/dbraw/zinc/48/10/98/1068481098.db2.gz YLSJJZTWAGKHGH-DHLKQENFSA-N 1 1 479.669 4.115 20 30 JIEDMO C#CCCCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001358935938 1068486082 /nfs/dbraw/zinc/48/60/82/1068486082.db2.gz XTKLNVCUSCRTJT-UHFFFAOYSA-N 1 1 467.664 4.376 20 30 JIEDMO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCC[N@@H+]1CCC ZINC001358974858 1068523266 /nfs/dbraw/zinc/52/32/66/1068523266.db2.gz UKVGMSZKAFZHQW-IBGZPJMESA-N 1 1 454.416 4.045 20 30 JIEDMO C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001358985746 1068535414 /nfs/dbraw/zinc/53/54/14/1068535414.db2.gz GPOHZMGXFUNTBH-RTWAWAEBSA-N 1 1 454.018 4.266 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001358988364 1068546804 /nfs/dbraw/zinc/54/68/04/1068546804.db2.gz MFWQNAIASHMJDR-GOSISDBHSA-N 1 1 474.472 4.352 20 30 JIEDMO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001358995260 1068558159 /nfs/dbraw/zinc/55/81/59/1068558159.db2.gz KHYHAKBKOYCFIY-QFIPXVFZSA-N 1 1 465.592 4.407 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359016270 1068597897 /nfs/dbraw/zinc/59/78/97/1068597897.db2.gz WAIQEAFYFDMAOD-UFHPHHKVSA-N 1 1 497.659 4.218 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359016241 1068598041 /nfs/dbraw/zinc/59/80/41/1068598041.db2.gz VHOOEVWEEIIHGX-HSZRJFAPSA-N 1 1 460.601 4.487 20 30 JIEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359017868 1068606706 /nfs/dbraw/zinc/60/67/06/1068606706.db2.gz USWZAQQFASUEAK-FGZHOGPDSA-N 1 1 460.601 4.163 20 30 JIEDMO C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001300419690 1068626458 /nfs/dbraw/zinc/62/64/58/1068626458.db2.gz QPERTQAXCJZFQF-IRLDBZIGSA-N 1 1 456.034 4.338 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359063566 1068705003 /nfs/dbraw/zinc/70/50/03/1068705003.db2.gz XLCWIBXJBRUGCG-VNZAXJPBSA-N 1 1 490.696 4.489 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001359065790 1068710459 /nfs/dbraw/zinc/71/04/59/1068710459.db2.gz BXDPFVFYIZYLOO-KBMIEXCESA-N 1 1 473.568 4.040 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCn1cc[nH+]c1C ZINC001359067259 1068715193 /nfs/dbraw/zinc/71/51/93/1068715193.db2.gz GWQYORIXBSGPMQ-AREMUKBSSA-N 1 1 462.598 4.328 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359067710 1068718385 /nfs/dbraw/zinc/71/83/85/1068718385.db2.gz YSSQUYIXPDUSGL-MUUNZHRXSA-N 1 1 479.669 4.473 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359067710 1068718405 /nfs/dbraw/zinc/71/84/05/1068718405.db2.gz YSSQUYIXPDUSGL-MUUNZHRXSA-N 1 1 479.669 4.473 20 30 JIEDMO C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001359074962 1068732551 /nfs/dbraw/zinc/73/25/51/1068732551.db2.gz YKQPWMTVWMISBT-QFQXNSOFSA-N 1 1 483.682 4.072 20 30 JIEDMO C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001359077909 1068737648 /nfs/dbraw/zinc/73/76/48/1068737648.db2.gz OBEBIRKWZZJFJZ-IXDOHACOSA-N 1 1 464.383 4.139 20 30 JIEDMO C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001359080011 1068748672 /nfs/dbraw/zinc/74/86/72/1068748672.db2.gz CLIQRVDVLYDPHN-UHFFFAOYSA-N 1 1 482.854 4.302 20 30 JIEDMO C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359083504 1068758879 /nfs/dbraw/zinc/75/88/79/1068758879.db2.gz LIWCRWLFJWFAJC-HSALFYBXSA-N 1 1 466.468 4.172 20 30 JIEDMO 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C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300558714 1069022309 /nfs/dbraw/zinc/02/23/09/1069022309.db2.gz AFAHRSJKFSVBEH-BGYRXZFFSA-N 1 1 498.469 4.058 20 30 JIEDMO C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359239146 1069039810 /nfs/dbraw/zinc/03/98/10/1069039810.db2.gz GTBWWRXUFKZGJU-SFTDATJTSA-N 1 1 460.667 4.279 20 30 JIEDMO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001300571354 1069079344 /nfs/dbraw/zinc/07/93/44/1069079344.db2.gz CMEMYRMVHWTXST-HSZRJFAPSA-N 1 1 454.622 4.468 20 30 JIEDMO C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001359250220 1069151623 /nfs/dbraw/zinc/15/16/23/1069151623.db2.gz FGUVJLGFDHGFID-SFTDATJTSA-N 1 1 472.678 4.279 20 30 JIEDMO C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC[N@@H+]1CCC)C1CC1 ZINC001359251456 1069169331 /nfs/dbraw/zinc/16/93/31/1069169331.db2.gz LOLHKVRSWWOJBV-FCHUYYIVSA-N 1 1 488.677 4.006 20 30 JIEDMO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300604933 1069196563 /nfs/dbraw/zinc/19/65/63/1069196563.db2.gz QQFAZDLCWIESJW-LJQANCHMSA-N 1 1 462.411 4.427 20 30 JIEDMO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359257827 1069259600 /nfs/dbraw/zinc/25/96/00/1069259600.db2.gz XDICSHZDVWWTTC-VWLOTQADSA-N 1 1 486.668 4.324 20 30 JIEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849602708 1069260297 /nfs/dbraw/zinc/26/02/97/1069260297.db2.gz QBBZGGCIEOWQCC-OALUTQOASA-N 1 1 461.404 4.200 20 30 JIEDMO C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359260066 1069279689 /nfs/dbraw/zinc/27/96/89/1069279689.db2.gz RRNGCIZOPPIXJY-FQEVSTJZSA-N 1 1 451.594 4.131 20 30 JIEDMO C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1CCn1cc[nH+]c1C ZINC001359267630 1069303192 /nfs/dbraw/zinc/30/31/92/1069303192.db2.gz MSZBFBOLBOZNRW-UHFFFAOYSA-N 1 1 457.376 4.100 20 30 JIEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2 ZINC001164650379 719317575 /nfs/dbraw/zinc/31/75/75/719317575.db2.gz DBBXJASRHXOYRM-UHFFFAOYSA-N 1 1 451.962 4.196 20 30 JIEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164695351 719887815 /nfs/dbraw/zinc/88/78/15/719887815.db2.gz PCCBSUVTBZSOAI-QHCPKHFHSA-N 1 1 459.619 4.373 20 30 JIEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164710592 720097829 /nfs/dbraw/zinc/09/78/29/720097829.db2.gz JQXPFFMRHGTVIK-CLJLJLNGSA-N 1 1 482.632 4.343 20 30 JIEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC[C@@H]21 ZINC001164842793 720647712 /nfs/dbraw/zinc/64/77/12/720647712.db2.gz UHQQDEGAXBWFFP-NRJQMVOHSA-N 1 1 452.965 4.473 20 30 JIEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc2c1Cl ZINC001164746154 720807477 /nfs/dbraw/zinc/80/74/77/720807477.db2.gz LXSQMXGXJURRPK-HUUCEWRRSA-N 1 1 491.329 4.090 20 30 JIEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755488 720876214 /nfs/dbraw/zinc/87/62/14/720876214.db2.gz XWUPQCMAZPMHLA-AMGIVPHBSA-N 1 1 489.023 4.305 20 30 JIEDMO N#Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164757428 720888165 /nfs/dbraw/zinc/88/81/65/720888165.db2.gz UPOYKSFMMXOSNB-URXFXBBRSA-N 1 1 487.982 4.302 20 30 JIEDMO N#Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164753812 720909990 /nfs/dbraw/zinc/90/99/90/720909990.db2.gz UFARYPSPTLNNLD-UFHPHHKVSA-N 1 1 453.590 4.257 20 30 JIEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1F ZINC001164909940 721536332 /nfs/dbraw/zinc/53/63/32/721536332.db2.gz SOFMGYOOCBRLKS-PKOBYXMFSA-N 1 1 467.907 4.289 20 30 JIEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164805770 721589834 /nfs/dbraw/zinc/58/98/34/721589834.db2.gz LTUDMFBZPNWUPS-XKCSPQBFSA-N 1 1 476.968 4.057 20 30 JIEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164805770 721589835 /nfs/dbraw/zinc/58/98/35/721589835.db2.gz LTUDMFBZPNWUPS-XKCSPQBFSA-N 1 1 476.968 4.057 20 30 JIEDMO N#C[C@@H](c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1)c1ccccc1F ZINC001164906763 721712142 /nfs/dbraw/zinc/71/21/42/721712142.db2.gz NZXDTHQDBLNFLB-PXDATVDWSA-N 1 1 478.522 4.404 20 30 JIEDMO COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)c(Cl)n1 ZINC001164908080 721712250 /nfs/dbraw/zinc/71/22/50/721712250.db2.gz VFZHFXFQQNLBRP-FQEVSTJZSA-N 1 1 483.897 4.293 20 30 JIEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C[C@@H]21 ZINC001165018851 721817185 /nfs/dbraw/zinc/81/71/85/721817185.db2.gz ARMSGMLSTIXOCQ-WVIBYCHQSA-N 1 1 456.569 4.403 20 30 JIEDMO