smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286302147 1060053966 /nfs/dbraw/zinc/05/39/66/1060053966.db2.gz KLNNUUZWACFTMC-JOCHJYFZSA-N 2 2 472.641 2.610 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286473944 1060379307 /nfs/dbraw/zinc/37/93/07/1060379307.db2.gz WONHNOSBCVGJGO-HXUWFJFHSA-N 2 2 457.420 2.803 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001286474693 1060386408 /nfs/dbraw/zinc/38/64/08/1060386408.db2.gz OSHPNZVYTJJHPU-OAQYLSRUSA-N 2 2 452.603 2.592 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001286474693 1060386426 /nfs/dbraw/zinc/38/64/26/1060386426.db2.gz OSHPNZVYTJJHPU-OAQYLSRUSA-N 2 2 452.603 2.592 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286475097 1060388579 /nfs/dbraw/zinc/38/85/79/1060388579.db2.gz QMPRGMTVAXFHPH-RUZDIDTESA-N 2 2 475.641 2.709 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286478712 1060394307 /nfs/dbraw/zinc/39/43/07/1060394307.db2.gz JVLTXKDYSFVUHL-HSZRJFAPSA-N 2 2 459.063 2.715 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479929 1060397503 /nfs/dbraw/zinc/39/75/03/1060397503.db2.gz JCIHQXZEDYETRO-XZOQPEGZSA-N 2 2 452.603 2.586 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286483381 1060407677 /nfs/dbraw/zinc/40/76/77/1060407677.db2.gz INZGXVCRCJVFTJ-RUZDIDTESA-N 2 2 464.658 2.565 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286483381 1060407693 /nfs/dbraw/zinc/40/76/93/1060407693.db2.gz INZGXVCRCJVFTJ-RUZDIDTESA-N 2 2 464.658 2.565 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286483890 1060411238 /nfs/dbraw/zinc/41/12/38/1060411238.db2.gz CIICBMYEDODFGU-QFIPXVFZSA-N 2 2 466.630 2.743 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286484361 1060416004 /nfs/dbraw/zinc/41/60/04/1060416004.db2.gz MMPUSOPSNHAPQY-QFIPXVFZSA-N 2 2 466.630 2.741 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286484361 1060416014 /nfs/dbraw/zinc/41/60/14/1060416014.db2.gz MMPUSOPSNHAPQY-QFIPXVFZSA-N 2 2 466.630 2.741 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286484381 1060417344 /nfs/dbraw/zinc/41/73/44/1060417344.db2.gz JQUWQAIGBOGEDU-VWLOTQADSA-N 2 2 468.671 2.666 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286485554 1060426537 /nfs/dbraw/zinc/42/65/37/1060426537.db2.gz PSILAMCJHVWJSD-VSKRKVRLSA-N 2 2 485.677 2.536 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286485554 1060426551 /nfs/dbraw/zinc/42/65/51/1060426551.db2.gz PSILAMCJHVWJSD-VSKRKVRLSA-N 2 2 485.677 2.536 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286485671 1060428350 /nfs/dbraw/zinc/42/83/50/1060428350.db2.gz UJUIOINGGIAHQM-YADHBBJMSA-N 2 2 485.677 2.837 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001286485671 1060428356 /nfs/dbraw/zinc/42/83/56/1060428356.db2.gz UJUIOINGGIAHQM-YADHBBJMSA-N 2 2 485.677 2.837 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286472265 1060368874 /nfs/dbraw/zinc/36/88/74/1060368874.db2.gz RMHZKEUBUSIODY-OAQYLSRUSA-N 2 2 487.048 2.939 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472725 1060370412 /nfs/dbraw/zinc/37/04/12/1060370412.db2.gz DHOWUZVIWAWXMQ-NRFANRHFSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286472725 1060370429 /nfs/dbraw/zinc/37/04/29/1060370429.db2.gz DHOWUZVIWAWXMQ-NRFANRHFSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001286475114 1060389342 /nfs/dbraw/zinc/38/93/42/1060389342.db2.gz QXXDMDSSNYBYNL-HXUWFJFHSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001286475114 1060389361 /nfs/dbraw/zinc/38/93/61/1060389361.db2.gz QXXDMDSSNYBYNL-HXUWFJFHSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286482463 1060405661 /nfs/dbraw/zinc/40/56/61/1060405661.db2.gz RNZVFLJJEWLTRY-HSZRJFAPSA-N 2 2 450.631 2.753 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001286482288 1060405876 /nfs/dbraw/zinc/40/58/76/1060405876.db2.gz PCFRQMPQYPVAEF-UHFFFAOYSA-N 2 2 450.631 2.897 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286483454 1060409266 /nfs/dbraw/zinc/40/92/66/1060409266.db2.gz LFJQIGWYKIMXBF-VWLOTQADSA-N 2 2 464.658 2.565 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286484275 1060415316 /nfs/dbraw/zinc/41/53/16/1060415316.db2.gz HJIHBGZAZBQUQF-HSZRJFAPSA-N 2 2 450.631 2.961 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001286484275 1060415328 /nfs/dbraw/zinc/41/53/28/1060415328.db2.gz HJIHBGZAZBQUQF-HSZRJFAPSA-N 2 2 450.631 2.961 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286484654 1060418237 /nfs/dbraw/zinc/41/82/37/1060418237.db2.gz UGDITGOWCLMGFV-UHFFFAOYSA-N 2 2 484.620 2.641 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286484643 1060419529 /nfs/dbraw/zinc/41/95/29/1060419529.db2.gz MTUGUNYRJAFPJZ-OAQYLSRUSA-N 2 2 483.686 2.535 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286485563 1060426406 /nfs/dbraw/zinc/42/64/06/1060426406.db2.gz PYSXNGHRNLZKRT-FQEVSTJZSA-N 2 2 454.644 2.676 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001286485563 1060426413 /nfs/dbraw/zinc/42/64/13/1060426413.db2.gz PYSXNGHRNLZKRT-FQEVSTJZSA-N 2 2 454.644 2.676 20 30 JFEDLP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294649801 1062193242 /nfs/dbraw/zinc/19/32/42/1062193242.db2.gz RQZWJGOZYJVEKU-HSZRJFAPSA-N 2 2 492.672 2.539 20 30 JFEDLP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294649801 1062193252 /nfs/dbraw/zinc/19/32/52/1062193252.db2.gz RQZWJGOZYJVEKU-HSZRJFAPSA-N 2 2 492.672 2.539 20 30 JFEDLP C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286302150 1060054195 /nfs/dbraw/zinc/05/41/95/1060054195.db2.gz KLNNUUZWACFTMC-QFIPXVFZSA-N 2 2 472.641 2.610 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286472687 1060370203 /nfs/dbraw/zinc/37/02/03/1060370203.db2.gz BDXALIOZBUSUDP-UHFFFAOYSA-N 2 2 452.603 2.592 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001286473014 1060372408 /nfs/dbraw/zinc/37/24/08/1060372408.db2.gz NNQCSYYVHWSSJE-GOSISDBHSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001286473014 1060372415 /nfs/dbraw/zinc/37/24/15/1060372415.db2.gz NNQCSYYVHWSSJE-GOSISDBHSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001286473170 1060373417 /nfs/dbraw/zinc/37/34/17/1060373417.db2.gz YEJREQXWJDMAST-OAQYLSRUSA-N 2 2 450.631 2.552 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001286475001 1060388531 /nfs/dbraw/zinc/38/85/31/1060388531.db2.gz UNAFKMQWZBCSON-NRFANRHFSA-N 2 2 464.570 2.613 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286478716 1060394478 /nfs/dbraw/zinc/39/44/78/1060394478.db2.gz JVLTXKDYSFVUHL-QHCPKHFHSA-N 2 2 459.063 2.715 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001286481941 1060404731 /nfs/dbraw/zinc/40/47/31/1060404731.db2.gz YVAGNHBQLDADFV-UHFFFAOYSA-N 2 2 487.693 2.878 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001286481941 1060404738 /nfs/dbraw/zinc/40/47/38/1060404738.db2.gz YVAGNHBQLDADFV-UHFFFAOYSA-N 2 2 487.693 2.878 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001286483826 1060411287 /nfs/dbraw/zinc/41/12/87/1060411287.db2.gz ZTMBZHKGVYAXEO-HSZRJFAPSA-N 2 2 450.631 2.919 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001286483826 1060411295 /nfs/dbraw/zinc/41/12/95/1060411295.db2.gz ZTMBZHKGVYAXEO-HSZRJFAPSA-N 2 2 450.631 2.919 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001286484611 1060418426 /nfs/dbraw/zinc/41/84/26/1060418426.db2.gz SVVSLOOTFQFVEW-FQEVSTJZSA-N 2 2 452.534 2.647 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286485387 1060425466 /nfs/dbraw/zinc/42/54/66/1060425466.db2.gz JZZOKVMYCYCBOD-NJYVYQBISA-N 2 2 473.666 2.534 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286485564 1060427517 /nfs/dbraw/zinc/42/75/17/1060427517.db2.gz PYSXNGHRNLZKRT-HXUWFJFHSA-N 2 2 454.644 2.676 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001286485564 1060427530 /nfs/dbraw/zinc/42/75/30/1060427530.db2.gz PYSXNGHRNLZKRT-HXUWFJFHSA-N 2 2 454.644 2.676 20 30 JFEDLP CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294523961 1062061037 /nfs/dbraw/zinc/06/10/37/1062061037.db2.gz JDICCGYBLRFEEL-QFIPXVFZSA-N 2 2 492.672 2.682 20 30 JFEDLP CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294523961 1062061060 /nfs/dbraw/zinc/06/10/60/1062061060.db2.gz JDICCGYBLRFEEL-QFIPXVFZSA-N 2 2 492.672 2.682 20 30 JFEDLP CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835000 1063851162 /nfs/dbraw/zinc/85/11/62/1063851162.db2.gz ZQAQFACGPWQVIH-JOCHJYFZSA-N 2 2 492.672 2.680 20 30 JFEDLP CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835000 1063851170 /nfs/dbraw/zinc/85/11/70/1063851170.db2.gz ZQAQFACGPWQVIH-JOCHJYFZSA-N 2 2 492.672 2.680 20 30 JFEDLP CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296134755 1064236576 /nfs/dbraw/zinc/23/65/76/1064236576.db2.gz PWAGMWNHDQYJBF-QFIPXVFZSA-N 2 2 494.688 2.675 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472949 1060371562 /nfs/dbraw/zinc/37/15/62/1060371562.db2.gz XTAGNRKXMVTFMS-GGAORHGYSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001286472949 1060371585 /nfs/dbraw/zinc/37/15/85/1060371585.db2.gz XTAGNRKXMVTFMS-GGAORHGYSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286473676 1060376576 /nfs/dbraw/zinc/37/65/76/1060376576.db2.gz QKNLFRDJZVGJLI-WOJBJXKFSA-N 2 2 488.583 2.801 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286473714 1060377643 /nfs/dbraw/zinc/37/76/43/1060377643.db2.gz ROKBGKBBCRFYLJ-UHFFFAOYSA-N 2 2 464.536 2.983 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001286473714 1060377659 /nfs/dbraw/zinc/37/76/59/1060377659.db2.gz ROKBGKBBCRFYLJ-UHFFFAOYSA-N 2 2 464.536 2.983 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480008 1060398387 /nfs/dbraw/zinc/39/83/87/1060398387.db2.gz JOLSALIDJFNBBS-NHCUHLMSSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286480008 1060398408 /nfs/dbraw/zinc/39/84/08/1060398408.db2.gz JOLSALIDJFNBBS-NHCUHLMSSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286484377 1060417200 /nfs/dbraw/zinc/41/72/00/1060417200.db2.gz JQUWQAIGBOGEDU-RUZDIDTESA-N 2 2 468.671 2.666 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001286484757 1060419478 /nfs/dbraw/zinc/41/94/78/1060419478.db2.gz OAPBZAIPOBUKQP-UHFFFAOYSA-N 2 2 475.435 2.715 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001286484757 1060419487 /nfs/dbraw/zinc/41/94/87/1060419487.db2.gz OAPBZAIPOBUKQP-UHFFFAOYSA-N 2 2 475.435 2.715 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286485254 1060424392 /nfs/dbraw/zinc/42/43/92/1060424392.db2.gz GVEBNZJAQZJODS-ZLNRFVROSA-N 2 2 499.704 2.926 20 30 JFEDLP CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294523951 1062060810 /nfs/dbraw/zinc/06/08/10/1062060810.db2.gz JDICCGYBLRFEEL-JOCHJYFZSA-N 2 2 492.672 2.682 20 30 JFEDLP CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294523951 1062060832 /nfs/dbraw/zinc/06/08/32/1062060832.db2.gz JDICCGYBLRFEEL-JOCHJYFZSA-N 2 2 492.672 2.682 20 30 JFEDLP C#CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286449762 1060334657 /nfs/dbraw/zinc/33/46/57/1060334657.db2.gz GEHWZWZWJRYZQA-UHFFFAOYSA-N 2 2 472.641 2.612 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286472227 1060368987 /nfs/dbraw/zinc/36/89/87/1060368987.db2.gz FQDTUTFVZDLZFS-UHFFFAOYSA-N 2 2 474.451 2.676 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472377 1060369075 /nfs/dbraw/zinc/36/90/75/1060369075.db2.gz HHIQDAJOQZATBW-IBGZPJMESA-N 2 2 488.478 2.922 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286472377 1060369093 /nfs/dbraw/zinc/36/90/93/1060369093.db2.gz HHIQDAJOQZATBW-IBGZPJMESA-N 2 2 488.478 2.922 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473495 1060375564 /nfs/dbraw/zinc/37/55/64/1060375564.db2.gz NIAKGQBPGNOVQJ-XMMPIXPASA-N 2 2 495.628 2.746 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286473534 1060375765 /nfs/dbraw/zinc/37/57/65/1060375765.db2.gz OSXYCDPFMJPHBY-UHFFFAOYSA-N 2 2 457.022 2.589 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473765 1060377241 /nfs/dbraw/zinc/37/72/41/1060377241.db2.gz SVIGLQIETBEOKO-VWLOTQADSA-N 2 2 480.657 2.846 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001286474331 1060382721 /nfs/dbraw/zinc/38/27/21/1060382721.db2.gz DAJXNGHJFPGGMS-JOCHJYFZSA-N 2 2 464.658 2.966 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286478915 1060395688 /nfs/dbraw/zinc/39/56/88/1060395688.db2.gz IHPOVAHONHAIAR-OAQYLSRUSA-N 2 2 490.656 2.721 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479928 1060397701 /nfs/dbraw/zinc/39/77/01/1060397701.db2.gz JCIHQXZEDYETRO-PKTZIBPZSA-N 2 2 452.603 2.586 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479864 1060397830 /nfs/dbraw/zinc/39/78/30/1060397830.db2.gz JCIHQXZEDYETRO-DHIUTWEWSA-N 2 2 452.603 2.586 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286485725 1060429414 /nfs/dbraw/zinc/42/94/14/1060429414.db2.gz VVVCFVHEPIQLCK-DEOSSOPVSA-N 2 2 486.711 2.772 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472726 1060370485 /nfs/dbraw/zinc/37/04/85/1060370485.db2.gz DHOWUZVIWAWXMQ-OAQYLSRUSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286472726 1060370508 /nfs/dbraw/zinc/37/05/08/1060370508.db2.gz DHOWUZVIWAWXMQ-OAQYLSRUSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001286474816 1060387344 /nfs/dbraw/zinc/38/73/44/1060387344.db2.gz QIVZZGAFRRUROZ-JOCHJYFZSA-N 2 2 466.630 2.982 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001286474816 1060387365 /nfs/dbraw/zinc/38/73/65/1060387365.db2.gz QIVZZGAFRRUROZ-JOCHJYFZSA-N 2 2 466.630 2.982 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001286474969 1060388916 /nfs/dbraw/zinc/38/89/16/1060388916.db2.gz UDPDVSWMRXSRLN-UHFFFAOYSA-N 2 2 466.630 2.840 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001286481688 1060403134 /nfs/dbraw/zinc/40/31/34/1060403134.db2.gz WPFGJOSPEKMRSU-XMMPIXPASA-N 2 2 493.704 2.574 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001286483495 1060409165 /nfs/dbraw/zinc/40/91/65/1060409165.db2.gz NHLKDCZIFOEVLS-UHFFFAOYSA-N 2 2 450.631 2.703 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286483677 1060409913 /nfs/dbraw/zinc/40/99/13/1060409913.db2.gz UIEIHQMTQAQRGM-HSZRJFAPSA-N 2 2 450.631 2.559 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001286483677 1060409927 /nfs/dbraw/zinc/40/99/27/1060409927.db2.gz UIEIHQMTQAQRGM-HSZRJFAPSA-N 2 2 450.631 2.559 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286483678 1060410072 /nfs/dbraw/zinc/41/00/72/1060410072.db2.gz UIEIHQMTQAQRGM-QHCPKHFHSA-N 2 2 450.631 2.559 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001286483678 1060410086 /nfs/dbraw/zinc/41/00/86/1060410086.db2.gz UIEIHQMTQAQRGM-QHCPKHFHSA-N 2 2 450.631 2.559 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286483762 1060410157 /nfs/dbraw/zinc/41/01/57/1060410157.db2.gz XWOJEIPBWMWPLD-UHFFFAOYSA-N 2 2 452.603 2.957 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286483762 1060410168 /nfs/dbraw/zinc/41/01/68/1060410168.db2.gz XWOJEIPBWMWPLD-UHFFFAOYSA-N 2 2 452.603 2.957 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001286484113 1060414105 /nfs/dbraw/zinc/41/41/05/1060414105.db2.gz DXPSUMFXMLFKSJ-QFIPXVFZSA-N 2 2 475.622 2.848 20 30 JFEDLP C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291012633 1062917156 /nfs/dbraw/zinc/91/71/56/1062917156.db2.gz BZPAFAZEUDROQK-VXKWHMMOSA-N 2 2 465.646 2.953 20 30 JFEDLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295366271 1063329710 /nfs/dbraw/zinc/32/97/10/1063329710.db2.gz RNWXUQBWSGPOFQ-VXKWHMMOSA-N 2 2 492.672 2.680 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001286470459 1060363038 /nfs/dbraw/zinc/36/30/38/1060363038.db2.gz ZLVLLWRRHNSLAT-UHFFFAOYSA-N 2 2 463.630 2.777 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001286470459 1060363049 /nfs/dbraw/zinc/36/30/49/1060363049.db2.gz ZLVLLWRRHNSLAT-UHFFFAOYSA-N 2 2 463.630 2.777 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286471977 1060367701 /nfs/dbraw/zinc/36/77/01/1060367701.db2.gz CAGVUWZJODJMEG-SFHVURJKSA-N 2 2 474.451 2.911 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001286472842 1060371024 /nfs/dbraw/zinc/37/10/24/1060371024.db2.gz LXJWXQUKZPFJHW-UHFFFAOYSA-N 2 2 488.478 2.923 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472952 1060371864 /nfs/dbraw/zinc/37/18/64/1060371864.db2.gz XTAGNRKXMVTFMS-GMAHTHKFSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001286472952 1060371881 /nfs/dbraw/zinc/37/18/81/1060371881.db2.gz XTAGNRKXMVTFMS-GMAHTHKFSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001286474123 1060381191 /nfs/dbraw/zinc/38/11/91/1060381191.db2.gz BDZLZZHTQQTCDD-JOCHJYFZSA-N 2 2 496.656 2.609 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286474123 1060381206 /nfs/dbraw/zinc/38/12/06/1060381206.db2.gz BDZLZZHTQQTCDD-JOCHJYFZSA-N 2 2 496.656 2.609 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286474536 1060384802 /nfs/dbraw/zinc/38/48/02/1060384802.db2.gz LZSQCELBBXEGCH-UHFFFAOYSA-N 2 2 460.985 2.604 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286474536 1060384820 /nfs/dbraw/zinc/38/48/20/1060384820.db2.gz LZSQCELBBXEGCH-UHFFFAOYSA-N 2 2 460.985 2.604 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474575 1060385826 /nfs/dbraw/zinc/38/58/26/1060385826.db2.gz IAJMTVJMCILDCF-INIZCTEOSA-N 2 2 463.449 2.866 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001286474575 1060385845 /nfs/dbraw/zinc/38/58/45/1060385845.db2.gz IAJMTVJMCILDCF-INIZCTEOSA-N 2 2 463.449 2.866 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001286479644 1060396718 /nfs/dbraw/zinc/39/67/18/1060396718.db2.gz VRUFINLDMFJZAD-OAQYLSRUSA-N 2 2 471.049 2.778 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286479644 1060396738 /nfs/dbraw/zinc/39/67/38/1060396738.db2.gz VRUFINLDMFJZAD-OAQYLSRUSA-N 2 2 471.049 2.778 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286482264 1060405627 /nfs/dbraw/zinc/40/56/27/1060405627.db2.gz OHGOQJQHGSCHEQ-UHFFFAOYSA-N 2 2 464.639 2.674 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286482464 1060405799 /nfs/dbraw/zinc/40/57/99/1060405799.db2.gz RNZVFLJJEWLTRY-QHCPKHFHSA-N 2 2 450.631 2.753 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286484047 1060413047 /nfs/dbraw/zinc/41/30/47/1060413047.db2.gz GTDASUKBZBILAV-UHFFFAOYSA-N 2 2 496.656 2.510 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001286484102 1060414096 /nfs/dbraw/zinc/41/40/96/1060414096.db2.gz DXPSUMFXMLFKSJ-JOCHJYFZSA-N 2 2 475.622 2.848 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286484202 1060415434 /nfs/dbraw/zinc/41/54/34/1060415434.db2.gz GEXORELCLCWGPP-RUZDIDTESA-N 2 2 474.657 2.760 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286484358 1060416144 /nfs/dbraw/zinc/41/61/44/1060416144.db2.gz MMPUSOPSNHAPQY-JOCHJYFZSA-N 2 2 466.630 2.741 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286484358 1060416150 /nfs/dbraw/zinc/41/61/50/1060416150.db2.gz MMPUSOPSNHAPQY-JOCHJYFZSA-N 2 2 466.630 2.741 20 30 JFEDLP CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159382 1062555439 /nfs/dbraw/zinc/55/54/39/1062555439.db2.gz ZQCJOBOAOLUBQG-DEOSSOPVSA-N 2 2 495.672 2.721 20 30 JFEDLP CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159382 1062555456 /nfs/dbraw/zinc/55/54/56/1062555456.db2.gz ZQCJOBOAOLUBQG-DEOSSOPVSA-N 2 2 495.672 2.721 20 30 JFEDLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295366269 1063329747 /nfs/dbraw/zinc/32/97/47/1063329747.db2.gz RNWXUQBWSGPOFQ-FCHUYYIVSA-N 2 2 492.672 2.680 20 30 JFEDLP CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835001 1063851435 /nfs/dbraw/zinc/85/14/35/1063851435.db2.gz ZQAQFACGPWQVIH-QFIPXVFZSA-N 2 2 492.672 2.680 20 30 JFEDLP CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835001 1063851449 /nfs/dbraw/zinc/85/14/49/1063851449.db2.gz ZQAQFACGPWQVIH-QFIPXVFZSA-N 2 2 492.672 2.680 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001286473015 1060372671 /nfs/dbraw/zinc/37/26/71/1060372671.db2.gz NNQCSYYVHWSSJE-SFHVURJKSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001286473015 1060372687 /nfs/dbraw/zinc/37/26/87/1060372687.db2.gz NNQCSYYVHWSSJE-SFHVURJKSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286474165 1060381056 /nfs/dbraw/zinc/38/10/56/1060381056.db2.gz CVOCBYRNTXOPSD-UHFFFAOYSA-N 2 2 454.619 2.695 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474576 1060385903 /nfs/dbraw/zinc/38/59/03/1060385903.db2.gz IAJMTVJMCILDCF-MRXNPFEDSA-N 2 2 463.449 2.866 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001286474576 1060385921 /nfs/dbraw/zinc/38/59/21/1060385921.db2.gz IAJMTVJMCILDCF-MRXNPFEDSA-N 2 2 463.449 2.866 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001286475003 1060388660 /nfs/dbraw/zinc/38/86/60/1060388660.db2.gz UNAFKMQWZBCSON-OAQYLSRUSA-N 2 2 464.570 2.613 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCC2)CC1 ZINC001286479292 1060396164 /nfs/dbraw/zinc/39/61/64/1060396164.db2.gz GRAPBMZGULXBJM-UHFFFAOYSA-N 2 2 485.677 2.634 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480013 1060398452 /nfs/dbraw/zinc/39/84/52/1060398452.db2.gz JOLSALIDJFNBBS-SFTDATJTSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286480013 1060398473 /nfs/dbraw/zinc/39/84/73/1060398473.db2.gz JOLSALIDJFNBBS-SFTDATJTSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286484278 1060415364 /nfs/dbraw/zinc/41/53/64/1060415364.db2.gz HJIHBGZAZBQUQF-QHCPKHFHSA-N 2 2 450.631 2.961 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001286484278 1060415372 /nfs/dbraw/zinc/41/53/72/1060415372.db2.gz HJIHBGZAZBQUQF-QHCPKHFHSA-N 2 2 450.631 2.961 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286484642 1060418483 /nfs/dbraw/zinc/41/84/83/1060418483.db2.gz MTUGUNYRJAFPJZ-NRFANRHFSA-N 2 2 483.686 2.535 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286485553 1060426464 /nfs/dbraw/zinc/42/64/64/1060426464.db2.gz PSILAMCJHVWJSD-FDFHNCONSA-N 2 2 485.677 2.536 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286485553 1060426471 /nfs/dbraw/zinc/42/64/71/1060426471.db2.gz PSILAMCJHVWJSD-FDFHNCONSA-N 2 2 485.677 2.536 20 30 JFEDLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295335976 1063254884 /nfs/dbraw/zinc/25/48/84/1063254884.db2.gz KDLBOUSXNUCQCY-UHFFFAOYSA-N 2 2 492.672 2.683 20 30 JFEDLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295366270 1063329455 /nfs/dbraw/zinc/32/94/55/1063329455.db2.gz RNWXUQBWSGPOFQ-FGZHOGPDSA-N 2 2 492.672 2.680 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001286473169 1060373461 /nfs/dbraw/zinc/37/34/61/1060373461.db2.gz YEJREQXWJDMAST-NRFANRHFSA-N 2 2 450.631 2.552 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001286473303 1060373906 /nfs/dbraw/zinc/37/39/06/1060373906.db2.gz KEPJXNSBELSADF-NRFANRHFSA-N 2 2 482.629 2.601 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001286473303 1060373922 /nfs/dbraw/zinc/37/39/22/1060373922.db2.gz KEPJXNSBELSADF-NRFANRHFSA-N 2 2 482.629 2.601 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001286478913 1060395807 /nfs/dbraw/zinc/39/58/07/1060395807.db2.gz IHPOVAHONHAIAR-NRFANRHFSA-N 2 2 490.656 2.721 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479865 1060397641 /nfs/dbraw/zinc/39/76/41/1060397641.db2.gz JCIHQXZEDYETRO-GOTSBHOMSA-N 2 2 452.603 2.586 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286483791 1060411331 /nfs/dbraw/zinc/41/13/31/1060411331.db2.gz YYSYTPOTFOISHH-ZRZAMGCNSA-N 2 2 464.658 2.706 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286483791 1060411337 /nfs/dbraw/zinc/41/13/37/1060411337.db2.gz YYSYTPOTFOISHH-ZRZAMGCNSA-N 2 2 464.658 2.706 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286484552 1060418296 /nfs/dbraw/zinc/41/82/96/1060418296.db2.gz MEONMAQTWOBBJS-HXUWFJFHSA-N 2 2 483.686 2.535 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286484552 1060418306 /nfs/dbraw/zinc/41/83/06/1060418306.db2.gz MEONMAQTWOBBJS-HXUWFJFHSA-N 2 2 483.686 2.535 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286485253 1060424281 /nfs/dbraw/zinc/42/42/81/1060424281.db2.gz GVEBNZJAQZJODS-RJGXRXQPSA-N 2 2 499.704 2.926 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCC)CC1 ZINC001286485801 1060429222 /nfs/dbraw/zinc/42/92/22/1060429222.db2.gz YLYFECPWEFHMPX-NRFANRHFSA-N 2 2 473.666 2.837 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)CCCC)CC1 ZINC001286485801 1060429244 /nfs/dbraw/zinc/42/92/44/1060429244.db2.gz YLYFECPWEFHMPX-NRFANRHFSA-N 2 2 473.666 2.837 20 30 JFEDLP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294649802 1062193275 /nfs/dbraw/zinc/19/32/75/1062193275.db2.gz RQZWJGOZYJVEKU-QHCPKHFHSA-N 2 2 492.672 2.539 20 30 JFEDLP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294649802 1062193289 /nfs/dbraw/zinc/19/32/89/1062193289.db2.gz RQZWJGOZYJVEKU-QHCPKHFHSA-N 2 2 492.672 2.539 20 30 JFEDLP Cc1nc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC[N@@H+](C)C(C)C)CC2)cc[nH+]1 ZINC001290501877 1062295206 /nfs/dbraw/zinc/29/52/06/1062295206.db2.gz SUJAIOINCUJFCN-UHFFFAOYSA-N 2 2 489.628 2.884 20 30 JFEDLP Cc1nc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC[N@H+](C)C(C)C)CC2)cc[nH+]1 ZINC001290501877 1062295232 /nfs/dbraw/zinc/29/52/32/1062295232.db2.gz SUJAIOINCUJFCN-UHFFFAOYSA-N 2 2 489.628 2.884 20 30 JFEDLP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291012631 1062917578 /nfs/dbraw/zinc/91/75/78/1062917578.db2.gz BZPAFAZEUDROQK-FGZHOGPDSA-N 2 2 465.646 2.953 20 30 JFEDLP CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001296024371 1064084032 /nfs/dbraw/zinc/08/40/32/1064084032.db2.gz YKPWBILKTQFHEE-UHFFFAOYSA-N 2 2 451.619 2.707 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472946 1060371656 /nfs/dbraw/zinc/37/16/56/1060371656.db2.gz XTAGNRKXMVTFMS-FYYLOGMGSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001286472946 1060371677 /nfs/dbraw/zinc/37/16/77/1060371677.db2.gz XTAGNRKXMVTFMS-FYYLOGMGSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001286473117 1060373376 /nfs/dbraw/zinc/37/33/76/1060373376.db2.gz ISFSZNMCHAUULD-UHFFFAOYSA-N 2 2 462.440 2.910 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286473507 1060375502 /nfs/dbraw/zinc/37/55/02/1060375502.db2.gz NWTMUMXNAWLSHQ-OAQYLSRUSA-N 2 2 454.619 2.694 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473763 1060377443 /nfs/dbraw/zinc/37/74/43/1060377443.db2.gz SVIGLQIETBEOKO-RUZDIDTESA-N 2 2 480.657 2.846 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001286474875 1060388113 /nfs/dbraw/zinc/38/81/13/1060388113.db2.gz SNPNCIHRTCEPFM-UHFFFAOYSA-N 2 2 454.619 2.836 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286475098 1060388783 /nfs/dbraw/zinc/38/87/83/1060388783.db2.gz QMPRGMTVAXFHPH-VWLOTQADSA-N 2 2 475.641 2.709 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)CC1 ZINC001286476482 1060392269 /nfs/dbraw/zinc/39/22/69/1060392269.db2.gz XZHBFKILWWSZQM-UHFFFAOYSA-N 2 2 475.460 2.512 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286479582 1060396917 /nfs/dbraw/zinc/39/69/17/1060396917.db2.gz VRUFINLDMFJZAD-NRFANRHFSA-N 2 2 471.049 2.778 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286479582 1060396937 /nfs/dbraw/zinc/39/69/37/1060396937.db2.gz VRUFINLDMFJZAD-NRFANRHFSA-N 2 2 471.049 2.778 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480011 1060398533 /nfs/dbraw/zinc/39/85/33/1060398533.db2.gz JOLSALIDJFNBBS-RTWAWAEBSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286480011 1060398550 /nfs/dbraw/zinc/39/85/50/1060398550.db2.gz JOLSALIDJFNBBS-RTWAWAEBSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286480878 1060399838 /nfs/dbraw/zinc/39/98/38/1060399838.db2.gz QCDKVOJJATZFDW-NRFANRHFSA-N 2 2 485.677 2.632 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](CC)C2CC2)CC1 ZINC001286480878 1060399861 /nfs/dbraw/zinc/39/98/61/1060399861.db2.gz QCDKVOJJATZFDW-NRFANRHFSA-N 2 2 485.677 2.632 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286480879 1060399961 /nfs/dbraw/zinc/39/99/61/1060399961.db2.gz QCDKVOJJATZFDW-OAQYLSRUSA-N 2 2 485.677 2.632 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](CC)C2CC2)CC1 ZINC001286480879 1060399979 /nfs/dbraw/zinc/39/99/79/1060399979.db2.gz QCDKVOJJATZFDW-OAQYLSRUSA-N 2 2 485.677 2.632 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286483790 1060410203 /nfs/dbraw/zinc/41/02/03/1060410203.db2.gz YYSYTPOTFOISHH-GOTSBHOMSA-N 2 2 464.658 2.706 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286484178 1060414210 /nfs/dbraw/zinc/41/42/10/1060414210.db2.gz JSKJEMWFBOVNSK-JOCHJYFZSA-N 2 2 454.594 2.872 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286484178 1060414219 /nfs/dbraw/zinc/41/42/19/1060414219.db2.gz JSKJEMWFBOVNSK-JOCHJYFZSA-N 2 2 454.594 2.872 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286484215 1060415223 /nfs/dbraw/zinc/41/52/23/1060415223.db2.gz GPLGTZNOLBBNSV-UHFFFAOYSA-N 2 2 489.462 2.963 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286484550 1060418335 /nfs/dbraw/zinc/41/83/35/1060418335.db2.gz MEONMAQTWOBBJS-FQEVSTJZSA-N 2 2 483.686 2.535 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286484550 1060418341 /nfs/dbraw/zinc/41/83/41/1060418341.db2.gz MEONMAQTWOBBJS-FQEVSTJZSA-N 2 2 483.686 2.535 20 30 JFEDLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296134405 1064236221 /nfs/dbraw/zinc/23/62/21/1064236221.db2.gz OQLXYJCPZIDHKX-JOCHJYFZSA-N 2 2 494.688 2.722 20 30 JFEDLP CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC001296164838 1064282942 /nfs/dbraw/zinc/28/29/42/1064282942.db2.gz DUZLNELEPDDCNL-LJQANCHMSA-N 2 2 460.586 2.768 20 30 JFEDLP CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC001296164838 1064282956 /nfs/dbraw/zinc/28/29/56/1064282956.db2.gz DUZLNELEPDDCNL-LJQANCHMSA-N 2 2 460.586 2.768 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472383 1060368671 /nfs/dbraw/zinc/36/86/71/1060368671.db2.gz HHIQDAJOQZATBW-LJQANCHMSA-N 2 2 488.478 2.922 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286472383 1060368694 /nfs/dbraw/zinc/36/86/94/1060368694.db2.gz HHIQDAJOQZATBW-LJQANCHMSA-N 2 2 488.478 2.922 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472955 1060371742 /nfs/dbraw/zinc/37/17/42/1060371742.db2.gz XTAGNRKXMVTFMS-JTHBVZDNSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001286472955 1060371765 /nfs/dbraw/zinc/37/17/65/1060371765.db2.gz XTAGNRKXMVTFMS-JTHBVZDNSA-N 2 2 458.651 2.554 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[NH+]2CCCCC2)CC1 ZINC001286473020 1060372307 /nfs/dbraw/zinc/37/23/07/1060372307.db2.gz GULZXITXCIHTIZ-UHFFFAOYSA-N 2 2 487.446 2.957 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473494 1060375463 /nfs/dbraw/zinc/37/54/63/1060375463.db2.gz NIAKGQBPGNOVQJ-DEOSSOPVSA-N 2 2 495.628 2.746 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286473506 1060375796 /nfs/dbraw/zinc/37/57/96/1060375796.db2.gz NWTMUMXNAWLSHQ-NRFANRHFSA-N 2 2 454.619 2.694 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286473672 1060376639 /nfs/dbraw/zinc/37/66/39/1060376639.db2.gz QKNLFRDJZVGJLI-BGYRXZFFSA-N 2 2 488.583 2.801 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286473672 1060376655 /nfs/dbraw/zinc/37/66/55/1060376655.db2.gz QKNLFRDJZVGJLI-BGYRXZFFSA-N 2 2 488.583 2.801 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474556 1060384623 /nfs/dbraw/zinc/38/46/23/1060384623.db2.gz MLTTWBWFZOSHPM-QGZVFWFLSA-N 2 2 475.410 2.944 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001286474556 1060384640 /nfs/dbraw/zinc/38/46/40/1060384640.db2.gz MLTTWBWFZOSHPM-QGZVFWFLSA-N 2 2 475.410 2.944 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286482095 1060405829 /nfs/dbraw/zinc/40/58/29/1060405829.db2.gz ZVRJACDJZIDZOU-NRFANRHFSA-N 2 2 485.677 2.632 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286482098 1060405854 /nfs/dbraw/zinc/40/58/54/1060405854.db2.gz ZVRJACDJZIDZOU-OAQYLSRUSA-N 2 2 485.677 2.632 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001286484875 1060420707 /nfs/dbraw/zinc/42/07/07/1060420707.db2.gz ZERCLIHSKDVWLP-UHFFFAOYSA-N 2 2 472.634 2.579 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286485142 1060423261 /nfs/dbraw/zinc/42/32/61/1060423261.db2.gz WBORMBIWWXFPPH-QFIPXVFZSA-N 2 2 452.651 2.550 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286485142 1060423269 /nfs/dbraw/zinc/42/32/69/1060423269.db2.gz WBORMBIWWXFPPH-QFIPXVFZSA-N 2 2 452.651 2.550 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001286485208 1060424297 /nfs/dbraw/zinc/42/42/97/1060424297.db2.gz XLDKEODOSYDLCG-UHFFFAOYSA-N 2 2 461.614 2.606 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286485726 1060429277 /nfs/dbraw/zinc/42/92/77/1060429277.db2.gz VVVCFVHEPIQLCK-XMMPIXPASA-N 2 2 486.711 2.772 20 30 JFEDLP CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC001296164837 1064283026 /nfs/dbraw/zinc/28/30/26/1064283026.db2.gz DUZLNELEPDDCNL-IBGZPJMESA-N 2 2 460.586 2.768 20 30 JFEDLP CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC001296164837 1064283040 /nfs/dbraw/zinc/28/30/40/1064283040.db2.gz DUZLNELEPDDCNL-IBGZPJMESA-N 2 2 460.586 2.768 20 30 JFEDLP CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296195780 1064363491 /nfs/dbraw/zinc/36/34/91/1064363491.db2.gz QAZHFJJWRCGRJP-QHCPKHFHSA-N 2 2 494.688 2.533 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286473758 1060377527 /nfs/dbraw/zinc/37/75/27/1060377527.db2.gz WMXLJYKJWSLZTK-UHFFFAOYSA-N 2 2 487.446 2.574 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCSCC2)CC1 ZINC001286474166 1060380993 /nfs/dbraw/zinc/38/09/93/1060380993.db2.gz CVRMGZROXYDLIC-UHFFFAOYSA-N 2 2 493.450 2.651 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286474962 1060388223 /nfs/dbraw/zinc/38/82/23/1060388223.db2.gz UBPSYRRETIMVKZ-UHFFFAOYSA-N 2 2 466.630 2.840 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC001286481686 1060403270 /nfs/dbraw/zinc/40/32/70/1060403270.db2.gz WPFGJOSPEKMRSU-DEOSSOPVSA-N 2 2 493.704 2.574 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286483789 1060410045 /nfs/dbraw/zinc/41/00/45/1060410045.db2.gz YYSYTPOTFOISHH-DHIUTWEWSA-N 2 2 464.658 2.706 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCCC)CC1 ZINC001286485735 1060429507 /nfs/dbraw/zinc/42/95/07/1060429507.db2.gz WQFCULSUVDPMQN-OYRHEFFESA-N 2 2 473.666 2.536 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)CCCC)CC1 ZINC001286485735 1060429520 /nfs/dbraw/zinc/42/95/20/1060429520.db2.gz WQFCULSUVDPMQN-OYRHEFFESA-N 2 2 473.666 2.536 20 30 JFEDLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295366272 1063330386 /nfs/dbraw/zinc/33/03/86/1063330386.db2.gz RNWXUQBWSGPOFQ-YADHBBJMSA-N 2 2 492.672 2.680 20 30 JFEDLP CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296195778 1064363556 /nfs/dbraw/zinc/36/35/56/1064363556.db2.gz QAZHFJJWRCGRJP-HSZRJFAPSA-N 2 2 494.688 2.533 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286472262 1060368802 /nfs/dbraw/zinc/36/88/02/1060368802.db2.gz RMHZKEUBUSIODY-NRFANRHFSA-N 2 2 487.048 2.939 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286474098 1060380110 /nfs/dbraw/zinc/38/01/10/1060380110.db2.gz AFXGGNDZOFQKER-UHFFFAOYSA-N 2 2 472.037 2.638 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001286474332 1060382674 /nfs/dbraw/zinc/38/26/74/1060382674.db2.gz DAJXNGHJFPGGMS-QFIPXVFZSA-N 2 2 464.658 2.966 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286484034 1060413148 /nfs/dbraw/zinc/41/31/48/1060413148.db2.gz CVYVDUWVWJLSEO-QFIPXVFZSA-N 2 2 461.614 2.748 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286484034 1060413159 /nfs/dbraw/zinc/41/31/59/1060413159.db2.gz CVYVDUWVWJLSEO-QFIPXVFZSA-N 2 2 461.614 2.748 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286484031 1060413206 /nfs/dbraw/zinc/41/32/06/1060413206.db2.gz CVYVDUWVWJLSEO-JOCHJYFZSA-N 2 2 461.614 2.748 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286484031 1060413212 /nfs/dbraw/zinc/41/32/12/1060413212.db2.gz CVYVDUWVWJLSEO-JOCHJYFZSA-N 2 2 461.614 2.748 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286484181 1060414187 /nfs/dbraw/zinc/41/41/87/1060414187.db2.gz JSKJEMWFBOVNSK-QFIPXVFZSA-N 2 2 454.594 2.872 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286484181 1060414190 /nfs/dbraw/zinc/41/41/90/1060414190.db2.gz JSKJEMWFBOVNSK-QFIPXVFZSA-N 2 2 454.594 2.872 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286485141 1060423232 /nfs/dbraw/zinc/42/32/32/1060423232.db2.gz WBORMBIWWXFPPH-JOCHJYFZSA-N 2 2 452.651 2.550 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286485141 1060423237 /nfs/dbraw/zinc/42/32/37/1060423237.db2.gz WBORMBIWWXFPPH-JOCHJYFZSA-N 2 2 452.651 2.550 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001286485647 1060427389 /nfs/dbraw/zinc/42/73/89/1060427389.db2.gz SKMBDWAHARPDQE-YADHBBJMSA-N 2 2 485.677 2.980 20 30 JFEDLP CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296134406 1064236137 /nfs/dbraw/zinc/23/61/37/1064236137.db2.gz OQLXYJCPZIDHKX-QFIPXVFZSA-N 2 2 494.688 2.722 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286469433 1060357999 /nfs/dbraw/zinc/35/79/99/1060357999.db2.gz FIFPUWPKSLIHDA-UHFFFAOYSA-N 2 2 498.075 2.739 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC001286469779 1060359373 /nfs/dbraw/zinc/35/93/73/1060359373.db2.gz LDUCRGLHRKYQMG-UHFFFAOYSA-N 2 2 486.624 2.571 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286473903 1060378279 /nfs/dbraw/zinc/37/82/79/1060378279.db2.gz UXZVKBSFVOWCTI-NRFANRHFSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286473904 1060379230 /nfs/dbraw/zinc/37/92/30/1060379230.db2.gz UXZVKBSFVOWCTI-OAQYLSRUSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286473943 1060379263 /nfs/dbraw/zinc/37/92/63/1060379263.db2.gz WONHNOSBCVGJGO-FQEVSTJZSA-N 2 2 457.420 2.803 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286474613 1060385511 /nfs/dbraw/zinc/38/55/11/1060385511.db2.gz NQRRJLRJCUQTBH-QFIPXVFZSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286474612 1060385548 /nfs/dbraw/zinc/38/55/48/1060385548.db2.gz NQRRJLRJCUQTBH-JOCHJYFZSA-N 2 2 466.630 2.838 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001286474610 1060385709 /nfs/dbraw/zinc/38/57/09/1060385709.db2.gz NNTWTIJEPGSJIS-UHFFFAOYSA-N 2 2 454.644 2.536 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001286474817 1060387159 /nfs/dbraw/zinc/38/71/59/1060387159.db2.gz QIVZZGAFRRUROZ-QFIPXVFZSA-N 2 2 466.630 2.982 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001286474817 1060387185 /nfs/dbraw/zinc/38/71/85/1060387185.db2.gz QIVZZGAFRRUROZ-QFIPXVFZSA-N 2 2 466.630 2.982 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286476092 1060391672 /nfs/dbraw/zinc/39/16/72/1060391672.db2.gz NTZLAHCYYDRFBE-UHFFFAOYSA-N 2 2 459.520 2.846 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001286476092 1060391695 /nfs/dbraw/zinc/39/16/95/1060391695.db2.gz NTZLAHCYYDRFBE-UHFFFAOYSA-N 2 2 459.520 2.846 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480006 1060397583 /nfs/dbraw/zinc/39/75/83/1060397583.db2.gz JOLSALIDJFNBBS-LEWJYISDSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286480006 1060397605 /nfs/dbraw/zinc/39/76/05/1060397605.db2.gz JOLSALIDJFNBBS-LEWJYISDSA-N 2 2 485.677 2.631 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286483453 1060409203 /nfs/dbraw/zinc/40/92/03/1060409203.db2.gz LFJQIGWYKIMXBF-RUZDIDTESA-N 2 2 464.658 2.565 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001286485646 1060427477 /nfs/dbraw/zinc/42/74/77/1060427477.db2.gz SKMBDWAHARPDQE-VXKWHMMOSA-N 2 2 485.677 2.980 20 30 JFEDLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001290399682 1062100959 /nfs/dbraw/zinc/10/09/59/1062100959.db2.gz FWRBKVSHKMWLMP-UHFFFAOYSA-N 2 2 455.603 2.582 20 30 JFEDLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001290399682 1062100964 /nfs/dbraw/zinc/10/09/64/1062100964.db2.gz FWRBKVSHKMWLMP-UHFFFAOYSA-N 2 2 455.603 2.582 20 30 JFEDLP Cc1[nH+]ccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290513476 1062312062 /nfs/dbraw/zinc/31/20/62/1062312062.db2.gz ABNKPDLUIHFGJG-UHFFFAOYSA-N 2 2 462.602 2.959 20 30 JFEDLP Cc1[nH+]ccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290513476 1062312081 /nfs/dbraw/zinc/31/20/81/1062312081.db2.gz ABNKPDLUIHFGJG-UHFFFAOYSA-N 2 2 462.602 2.959 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286473674 1060376700 /nfs/dbraw/zinc/37/67/00/1060376700.db2.gz QKNLFRDJZVGJLI-PMACEKPBSA-N 2 2 488.583 2.801 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286474217 1060382164 /nfs/dbraw/zinc/38/21/64/1060382164.db2.gz FISVZPWCVXOQCO-UHFFFAOYSA-N 2 2 496.656 2.607 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286474217 1060382176 /nfs/dbraw/zinc/38/21/76/1060382176.db2.gz FISVZPWCVXOQCO-UHFFFAOYSA-N 2 2 496.656 2.607 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474554 1060384961 /nfs/dbraw/zinc/38/49/61/1060384961.db2.gz MLTTWBWFZOSHPM-KRWDZBQOSA-N 2 2 475.410 2.944 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001286474554 1060384977 /nfs/dbraw/zinc/38/49/77/1060384977.db2.gz MLTTWBWFZOSHPM-KRWDZBQOSA-N 2 2 475.410 2.944 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286475578 1060390130 /nfs/dbraw/zinc/39/01/30/1060390130.db2.gz BVUDNHRROBRMSW-UHFFFAOYSA-N 2 2 454.594 2.729 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286476321 1060392537 /nfs/dbraw/zinc/39/25/37/1060392537.db2.gz TXLYNCOYNSPHHC-UHFFFAOYSA-N 2 2 487.446 2.575 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286482613 1060406659 /nfs/dbraw/zinc/40/66/59/1060406659.db2.gz UQJNKILDTMGFES-UHFFFAOYSA-N 2 2 450.631 2.755 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286483382 1060407813 /nfs/dbraw/zinc/40/78/13/1060407813.db2.gz INZGXVCRCJVFTJ-VWLOTQADSA-N 2 2 464.658 2.565 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286483382 1060407826 /nfs/dbraw/zinc/40/78/26/1060407826.db2.gz INZGXVCRCJVFTJ-VWLOTQADSA-N 2 2 464.658 2.565 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286483889 1060411398 /nfs/dbraw/zinc/41/13/98/1060411398.db2.gz CIICBMYEDODFGU-JOCHJYFZSA-N 2 2 466.630 2.743 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001286484612 1060418392 /nfs/dbraw/zinc/41/83/92/1060418392.db2.gz SVVSLOOTFQFVEW-HXUWFJFHSA-N 2 2 452.534 2.647 20 30 JFEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291012632 1062917506 /nfs/dbraw/zinc/91/75/06/1062917506.db2.gz BZPAFAZEUDROQK-SZPZYZBQSA-N 2 2 465.646 2.953 20 30 JFEDLP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001291012632 1062917531 /nfs/dbraw/zinc/91/75/31/1062917531.db2.gz BZPAFAZEUDROQK-SZPZYZBQSA-N 2 2 465.646 2.953 20 30 JFEDLP CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296134754 1064236615 /nfs/dbraw/zinc/23/66/15/1064236615.db2.gz PWAGMWNHDQYJBF-JOCHJYFZSA-N 2 2 494.688 2.675 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286471974 1060367815 /nfs/dbraw/zinc/36/78/15/1060367815.db2.gz CAGVUWZJODJMEG-GOSISDBHSA-N 2 2 474.451 2.911 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001286473388 1060374801 /nfs/dbraw/zinc/37/48/01/1060374801.db2.gz LHBHBSRKIGOAAS-UHFFFAOYSA-N 2 2 466.630 2.982 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286474124 1060381250 /nfs/dbraw/zinc/38/12/50/1060381250.db2.gz BDZLZZHTQQTCDD-QFIPXVFZSA-N 2 2 496.656 2.609 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286474124 1060381267 /nfs/dbraw/zinc/38/12/67/1060381267.db2.gz BDZLZZHTQQTCDD-QFIPXVFZSA-N 2 2 496.656 2.609 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001286474692 1060386490 /nfs/dbraw/zinc/38/64/90/1060386490.db2.gz OSHPNZVYTJJHPU-NRFANRHFSA-N 2 2 452.603 2.592 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001286474692 1060386509 /nfs/dbraw/zinc/38/65/09/1060386509.db2.gz OSHPNZVYTJJHPU-NRFANRHFSA-N 2 2 452.603 2.592 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001286475113 1060389636 /nfs/dbraw/zinc/38/96/36/1060389636.db2.gz QXXDMDSSNYBYNL-FQEVSTJZSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001286475113 1060389660 /nfs/dbraw/zinc/38/96/60/1060389660.db2.gz QXXDMDSSNYBYNL-FQEVSTJZSA-N 2 2 457.420 2.947 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286475731 1060391046 /nfs/dbraw/zinc/39/10/46/1060391046.db2.gz HNHDPMGVMGIICZ-UHFFFAOYSA-N 2 2 478.519 2.703 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001286475731 1060391061 /nfs/dbraw/zinc/39/10/61/1060391061.db2.gz HNHDPMGVMGIICZ-UHFFFAOYSA-N 2 2 478.519 2.703 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCC(C)C)CC1 ZINC001286483701 1060410006 /nfs/dbraw/zinc/41/00/06/1060410006.db2.gz VFEQERNVTQPIMT-UHFFFAOYSA-N 2 2 463.674 2.834 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001286483827 1060411165 /nfs/dbraw/zinc/41/11/65/1060411165.db2.gz ZTMBZHKGVYAXEO-QHCPKHFHSA-N 2 2 450.631 2.919 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001286483827 1060411172 /nfs/dbraw/zinc/41/11/72/1060411172.db2.gz ZTMBZHKGVYAXEO-QHCPKHFHSA-N 2 2 450.631 2.919 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286484203 1060415403 /nfs/dbraw/zinc/41/54/03/1060415403.db2.gz GEXORELCLCWGPP-VWLOTQADSA-N 2 2 474.657 2.760 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCCC2)CC1 ZINC001286485491 1060426572 /nfs/dbraw/zinc/42/65/72/1060426572.db2.gz NINLGQUULCBZOO-QFIPXVFZSA-N 2 2 485.677 2.981 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286485670 1060428393 /nfs/dbraw/zinc/42/83/93/1060428393.db2.gz UJUIOINGGIAHQM-VXKWHMMOSA-N 2 2 485.677 2.837 20 30 JFEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001286485670 1060428399 /nfs/dbraw/zinc/42/83/99/1060428399.db2.gz UJUIOINGGIAHQM-VXKWHMMOSA-N 2 2 485.677 2.837 20 30 JFEDLP CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159383 1062555628 /nfs/dbraw/zinc/55/56/28/1062555628.db2.gz ZQCJOBOAOLUBQG-XMMPIXPASA-N 2 2 495.672 2.721 20 30 JFEDLP CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159383 1062555648 /nfs/dbraw/zinc/55/56/48/1062555648.db2.gz ZQCJOBOAOLUBQG-XMMPIXPASA-N 2 2 495.672 2.721 20 30 JFEDLP