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 1069311954 /nfs/dbraw/zinc/31/19/54/1069311954.db2.gz PQSPPZKGYFMGRP-UHFFFAOYSA-N 1 0 452.691 4.128 20 30 JIEDRO C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359275829 1069313137 /nfs/dbraw/zinc/31/31/37/1069313137.db2.gz HWSKVKBBERSYOT-UHFFFAOYSA-N 1 0 455.647 4.439 20 30 JIEDRO C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001359308071 1069348505 /nfs/dbraw/zinc/34/85/05/1069348505.db2.gz CMKMXNAQYYKJQH-UHFFFAOYSA-N 1 0 466.655 4.167 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001359311939 1069356041 /nfs/dbraw/zinc/35/60/41/1069356041.db2.gz LCSWBNYBYVAMLG-DNRQZRRGSA-N 1 0 494.684 4.297 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300657926 1069359787 /nfs/dbraw/zinc/35/97/87/1069359787.db2.gz VBVSAFFLEGHNEM-JOCHJYFZSA-N 1 0 460.626 4.152 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001359314072 1069359886 /nfs/dbraw/zinc/35/98/86/1069359886.db2.gz VTOQYTLVVJRBPM-WOIUINJBSA-N 1 0 460.022 4.195 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001359316308 1069367843 /nfs/dbraw/zinc/36/78/43/1069367843.db2.gz MHLKQYLFYNONHF-VXKWHMMOSA-N 1 0 483.016 4.086 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001359326056 1069382498 /nfs/dbraw/zinc/38/24/98/1069382498.db2.gz RRZLTKQTHVFYOZ-IFMALSPDSA-N 1 0 460.022 4.166 20 30 JIEDRO C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359342486 1069407257 /nfs/dbraw/zinc/40/72/57/1069407257.db2.gz YWJYICUPYUPGMD-PWRODBHTSA-N 1 0 492.734 4.231 20 30 JIEDRO C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359344043 1069410617 /nfs/dbraw/zinc/41/06/17/1069410617.db2.gz JPYOLCQRVIYZQR-UHFFFAOYSA-N 1 0 466.630 4.035 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359466663 1069602527 /nfs/dbraw/zinc/60/25/27/1069602527.db2.gz FPHHZUXYWUKBPY-SQNIBIBYSA-N 1 0 489.462 4.191 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359467501 1069604766 /nfs/dbraw/zinc/60/47/66/1069604766.db2.gz SXMHVSWKDLLZEU-YWZLYKJASA-N 1 0 488.409 4.084 20 30 JIEDRO CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC001359467222 1069604993 /nfs/dbraw/zinc/60/49/93/1069604993.db2.gz ONRIAQGTZWRDGG-CRRLPVGBSA-N 1 0 494.684 4.217 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359469514 1069615027 /nfs/dbraw/zinc/61/50/27/1069615027.db2.gz GPCVBSZKQXILSH-IRXDYDNUSA-N 1 0 465.429 4.349 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359474984 1069628284 /nfs/dbraw/zinc/62/82/84/1069628284.db2.gz ZWGHPIUIUINUIZ-WMZHIEFXSA-N 1 0 452.603 4.041 20 30 JIEDRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N)[N@@H+]1CCC[C@@H](C)C1 ZINC001359477096 1069636813 /nfs/dbraw/zinc/63/68/13/1069636813.db2.gz QVFJRUJBAKWREB-GUDVDZBRSA-N 1 0 489.462 4.336 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359477114 1069637147 /nfs/dbraw/zinc/63/71/47/1069637147.db2.gz RFHAFGJDNPJYKH-JOCHJYFZSA-N 1 0 466.699 4.411 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001359477335 1069637797 /nfs/dbraw/zinc/63/77/97/1069637797.db2.gz WAVOMVLAWZZLRF-OAQYLSRUSA-N 1 0 452.647 4.482 20 30 JIEDRO 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 1069639197 /nfs/dbraw/zinc/63/91/97/1069639197.db2.gz DCCUMZDSTDQIMW-GNLZIIPMSA-N 1 0 464.658 4.457 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359542267 1069840627 /nfs/dbraw/zinc/84/06/27/1069840627.db2.gz UHRZWDMSHKSOQH-HSZRJFAPSA-N 1 0 464.658 4.438 20 30 JIEDRO CC(C)(C)CCCn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359545365 1069848296 /nfs/dbraw/zinc/84/82/96/1069848296.db2.gz RNHNMZKYOAMRRO-UHFFFAOYSA-N 1 0 458.614 4.145 20 30 JIEDRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359627213 1070125762 /nfs/dbraw/zinc/12/57/62/1070125762.db2.gz FEYFMHKXQJMRHS-VWNXMTODSA-N 1 0 491.684 4.070 20 30 JIEDRO CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001359643645 1070181920 /nfs/dbraw/zinc/18/19/20/1070181920.db2.gz IOSMAINVEQJAAJ-JOCHJYFZSA-N 1 0 450.631 4.048 20 30 JIEDRO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359665899 1070299036 /nfs/dbraw/zinc/29/90/36/1070299036.db2.gz IEPUBFNBOIJJGY-ZEQKJWHPSA-N 1 0 450.631 4.150 20 30 JIEDRO 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 1064489002 /nfs/dbraw/zinc/48/90/02/1064489002.db2.gz DBCCHBZRSROGJP-QHAWAJNXSA-N 1 0 468.646 4.361 20 30 JIEDRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[C@](C)(C#N)C2)[NH+]2CCCC2)c1 ZINC001315547381 1064557272 /nfs/dbraw/zinc/55/72/72/1064557272.db2.gz QBQBYUGJWYSTOE-JYFHCDHNSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315599094 1064703801 /nfs/dbraw/zinc/70/38/01/1064703801.db2.gz PQZLPBNRGQWEDP-FQEVSTJZSA-N 1 0 450.612 4.448 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001315623645 1064761958 /nfs/dbraw/zinc/76/19/58/1064761958.db2.gz WKQCQIHMSRMPBN-UHFFFAOYSA-N 1 0 450.631 4.274 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315662048 1064862986 /nfs/dbraw/zinc/86/29/86/1064862986.db2.gz ZUKQZAWINBFTOI-IBGZPJMESA-N 1 0 456.660 4.439 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001315704606 1064971928 /nfs/dbraw/zinc/97/19/28/1064971928.db2.gz HQHABBZKKMFWFZ-MOPGFXCFSA-N 1 0 472.609 4.042 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001315704679 1064972514 /nfs/dbraw/zinc/97/25/14/1064972514.db2.gz JMZKVNCNGLMCFU-FQEVSTJZSA-N 1 0 475.641 4.430 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001315704648 1064972568 /nfs/dbraw/zinc/97/25/68/1064972568.db2.gz ILZJWPMFCDGTEC-RTBURBONSA-N 1 0 472.609 4.042 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)CC1 ZINC001315706594 1064977872 /nfs/dbraw/zinc/97/78/72/1064977872.db2.gz SXYXHDUYNIYLOP-UHFFFAOYSA-N 1 0 478.666 4.447 20 30 JIEDRO COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315833054 1065201480 /nfs/dbraw/zinc/20/14/80/1065201480.db2.gz RWCRZOGSTPOLFU-QHCPKHFHSA-N 1 0 450.631 4.190 20 30 JIEDRO COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315891899 1065352008 /nfs/dbraw/zinc/35/20/08/1065352008.db2.gz BSJMHYRQOKHOCD-GMAHTHKFSA-N 1 0 450.631 4.192 20 30 JIEDRO COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001315892172 1065352553 /nfs/dbraw/zinc/35/25/53/1065352553.db2.gz SOXPNIWRHYYTFW-QFIPXVFZSA-N 1 0 450.631 4.334 20 30 JIEDRO COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315894125 1065358133 /nfs/dbraw/zinc/35/81/33/1065358133.db2.gz ZZDXVZQTSKSTHW-ZDXQCDESSA-N 1 0 464.658 4.438 20 30 JIEDRO COCC[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 ZINC001316066123 1065704512 /nfs/dbraw/zinc/70/45/12/1065704512.db2.gz VLRZMPDFMNCGLB-NRFANRHFSA-N 1 0 450.612 4.188 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001316099779 1065766183 /nfs/dbraw/zinc/76/61/83/1065766183.db2.gz LQCLSBIUXKHWIP-LJQANCHMSA-N 1 0 489.462 4.194 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316100041 1065766769 /nfs/dbraw/zinc/76/67/69/1065766769.db2.gz QCTOQYUVQOUCMC-IFMALSPDSA-N 1 0 475.641 4.289 20 30 JIEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2)CC1 ZINC001326129075 1066286587 /nfs/dbraw/zinc/28/65/87/1066286587.db2.gz JMRQXSKDZVZFGC-UHFFFAOYSA-N 1 0 455.562 4.420 20 30 JIEDRO Cc1ccc(C2(CNC(NCCc3cccs3)=[NH+]CC3(O)CCOCC3)CCC2)cc1C ZINC001336373453 1066438203 /nfs/dbraw/zinc/43/82/03/1066438203.db2.gz MIEKDLXYMFDQAR-UHFFFAOYSA-N 1 0 455.668 4.106 20 30 JIEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316498093 1066451927 /nfs/dbraw/zinc/45/19/27/1066451927.db2.gz WZUQKAMIDDOIAH-IRLDBZIGSA-N 1 0 493.656 4.042 20 30 JIEDRO N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[NH+]2CCSCC2)c1 ZINC001316529057 1066547764 /nfs/dbraw/zinc/54/77/64/1066547764.db2.gz NADUHBSOPDIASH-UHFFFAOYSA-N 1 0 464.561 4.034 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300690098 1067036142 /nfs/dbraw/zinc/03/61/42/1067036142.db2.gz BABGHLDQVKQOIH-LJQANCHMSA-N 1 0 475.468 4.128 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300733059 1067175989 /nfs/dbraw/zinc/17/59/89/1067175989.db2.gz HNSNGEDILAOQRL-QFIPXVFZSA-N 1 0 467.683 4.466 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300740683 1067221298 /nfs/dbraw/zinc/22/12/98/1067221298.db2.gz AQQSFDHJEZFDLZ-GOSISDBHSA-N 1 0 462.063 4.405 20 30 JIEDRO C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001300740809 1067223595 /nfs/dbraw/zinc/22/35/95/1067223595.db2.gz DYKOKRCGCBSMOX-URXFXBBRSA-N 1 0 451.684 4.497 20 30 JIEDRO C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300746598 1067257065 /nfs/dbraw/zinc/25/70/65/1067257065.db2.gz UIMSKZWISAIYAI-SFHVURJKSA-N 1 0 492.462 4.278 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001300787015 1067350163 /nfs/dbraw/zinc/35/01/63/1067350163.db2.gz JFLTYMPIPLLKOZ-ISJBWFOZSA-N 1 0 485.076 4.090 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300788786 1067355593 /nfs/dbraw/zinc/35/55/93/1067355593.db2.gz MDHRVRIXQHAKTL-PGRDOPGGSA-N 1 0 461.452 4.015 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCCCC[NH+]1CCCC1 ZINC001300788652 1067355673 /nfs/dbraw/zinc/35/56/73/1067355673.db2.gz HJLGGVSPKWLJBB-AREMUKBSSA-N 1 0 451.615 4.221 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300789850 1067358617 /nfs/dbraw/zinc/35/86/17/1067358617.db2.gz AZVIUQVUCYZINK-NOMHHCBYSA-N 1 0 465.642 4.322 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300790137 1067359582 /nfs/dbraw/zinc/35/95/82/1067359582.db2.gz JMFAGSBPTBOMBR-NEKDWFFYSA-N 1 0 495.668 4.090 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@@H+](CC)CCC ZINC001300790189 1067359802 /nfs/dbraw/zinc/35/98/02/1067359802.db2.gz LPGSSTHVYFZFPT-HSZRJFAPSA-N 1 0 474.447 4.440 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001300030232 1067417775 /nfs/dbraw/zinc/41/77/75/1067417775.db2.gz DEGJCDLSGIFDNB-FQEVSTJZSA-N 1 0 466.630 4.357 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300050887 1067511606 /nfs/dbraw/zinc/51/16/06/1067511606.db2.gz VUVRZOODRPJAON-DFBJGRDBSA-N 1 0 480.638 4.457 20 30 JIEDRO C[NH+](C)CCn1ncc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1-c1ccccc1 ZINC001358034547 1067996829 /nfs/dbraw/zinc/99/68/29/1067996829.db2.gz HOZBIPYUFQISFC-FQEVSTJZSA-N 1 0 457.456 4.005 20 30 JIEDRO 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 1068036051 /nfs/dbraw/zinc/03/60/51/1068036051.db2.gz YSVSRDWIWUYHKV-HBMCJLEFSA-N 1 0 468.646 4.218 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001300273069 1068054867 /nfs/dbraw/zinc/05/48/67/1068054867.db2.gz SVYPFGJVNYRRSP-UHFFFAOYSA-N 1 0 466.630 4.260 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001300286381 1068086221 /nfs/dbraw/zinc/08/62/21/1068086221.db2.gz JDNIYMAGLIOHJU-FUHWJXTLSA-N 1 0 450.414 4.067 20 30 JIEDRO 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 1068133063 /nfs/dbraw/zinc/13/30/63/1068133063.db2.gz BLVFQCOHUUSLGL-FGZHOGPDSA-N 1 0 489.668 4.062 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300298770 1068134326 /nfs/dbraw/zinc/13/43/26/1068134326.db2.gz HSAZKYQWUWXJSY-RDPSFJRHSA-N 1 0 489.668 4.204 20 30 JIEDRO 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 1068136729 /nfs/dbraw/zinc/13/67/29/1068136729.db2.gz LTPANGDYJFFTDN-BHIFYINESA-N 1 0 459.642 4.345 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001300302912 1068147242 /nfs/dbraw/zinc/14/72/42/1068147242.db2.gz FINZPGWRMCGSMW-YADHBBJMSA-N 1 0 489.668 4.178 20 30 JIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)CC1 ZINC000604454127 1068148798 /nfs/dbraw/zinc/14/87/98/1068148798.db2.gz QJJCCESYTFBMEQ-UHFFFAOYSA-N 1 0 478.647 4.485 20 30 JIEDRO C[N@H+](CCCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000510246605 1068166737 /nfs/dbraw/zinc/16/67/37/1068166737.db2.gz TYZGHLRCESZXOS-UHFFFAOYSA-N 1 0 452.609 4.346 20 30 JIEDRO C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001300341378 1068327729 /nfs/dbraw/zinc/32/77/29/1068327729.db2.gz GKOISGPXJGOJHV-UHFFFAOYSA-N 1 0 473.463 4.304 20 30 JIEDRO C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001300342196 1068330774 /nfs/dbraw/zinc/33/07/74/1068330774.db2.gz QTFKGIZIHWSXSV-FGZHOGPDSA-N 1 0 451.615 4.295 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001358871800 1068365901 /nfs/dbraw/zinc/36/59/01/1068365901.db2.gz KPYIRDGVNZWFBV-RTWAWAEBSA-N 1 0 483.632 4.439 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(SC)CC[NH+](C)CC1 ZINC001358872573 1068366491 /nfs/dbraw/zinc/36/64/91/1068366491.db2.gz WFDMDEFUCNZMGX-FPOVZHCZSA-N 1 0 455.672 4.320 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358873326 1068367242 /nfs/dbraw/zinc/36/72/42/1068367242.db2.gz HNSOTQKAUWSYAV-VQTJNVASSA-N 1 0 462.573 4.367 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001358875370 1068371074 /nfs/dbraw/zinc/37/10/74/1068371074.db2.gz OIXNBTYKCGADFT-PGRDOPGGSA-N 1 0 481.442 4.341 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001358876907 1068374838 /nfs/dbraw/zinc/37/48/38/1068374838.db2.gz SSURYVQJYYXKRG-ZWKOTPCHSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001358881919 1068381446 /nfs/dbraw/zinc/38/14/46/1068381446.db2.gz PLDLWXKLCDACKS-TZIWHRDSSA-N 1 0 463.582 4.240 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001358885592 1068383342 /nfs/dbraw/zinc/38/33/42/1068383342.db2.gz MVHIPZQVZMNKHW-AVRDEDQJSA-N 1 0 489.649 4.058 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358897039 1068391103 /nfs/dbraw/zinc/39/11/03/1068391103.db2.gz RUYXEHCGKARZGU-QFIPXVFZSA-N 1 0 467.683 4.293 20 30 JIEDRO 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 1068394471 /nfs/dbraw/zinc/39/44/71/1068394471.db2.gz BALXVOZJQUOJLG-HKBOAZHASA-N 1 0 472.678 4.319 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358899798 1068397155 /nfs/dbraw/zinc/39/71/55/1068397155.db2.gz VIFLKXKTSMBEGN-FQEVSTJZSA-N 1 0 485.723 4.399 20 30 JIEDRO C#CCOc1ccc(NC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC001200402801 1068397869 /nfs/dbraw/zinc/39/78/69/1068397869.db2.gz NQONTDDSFAVSIF-UHFFFAOYSA-N 1 0 452.986 4.171 20 30 JIEDRO C#CCCCCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001358913936 1068436951 /nfs/dbraw/zinc/43/69/51/1068436951.db2.gz CVKURACMLXITTA-BKMJKUGQSA-N 1 0 477.632 4.064 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001358921988 1068460848 /nfs/dbraw/zinc/46/08/48/1068460848.db2.gz PPQMBSVIKYJKRK-UHFFFAOYSA-N 1 0 467.415 4.080 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001358922190 1068461872 /nfs/dbraw/zinc/46/18/72/1068461872.db2.gz WVNIFPKWQLMLCJ-FQEVSTJZSA-N 1 0 487.490 4.408 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001358923947 1068467491 /nfs/dbraw/zinc/46/74/91/1068467491.db2.gz HMACOVDSCVEHTQ-WOJBJXKFSA-N 1 0 473.040 4.146 20 30 JIEDRO C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001358924409 1068468417 /nfs/dbraw/zinc/46/84/17/1068468417.db2.gz VWIIHUAIMKSQBG-GOSISDBHSA-N 1 0 474.447 4.298 20 30 JIEDRO C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001358929004 1068474478 /nfs/dbraw/zinc/47/44/78/1068474478.db2.gz PYOACOMLKNWIIC-OAQYLSRUSA-N 1 0 472.678 4.117 20 30 JIEDRO C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001358936492 1068488549 /nfs/dbraw/zinc/48/85/49/1068488549.db2.gz OUEOMNNLKGINOQ-FGZHOGPDSA-N 1 0 455.672 4.036 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001358941608 1068493484 /nfs/dbraw/zinc/49/34/84/1068493484.db2.gz QOQJJYFRFIVMIZ-LJQANCHMSA-N 1 0 474.428 4.150 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001358972238 1068516233 /nfs/dbraw/zinc/51/62/33/1068516233.db2.gz YQFRYJLWSJDIHJ-IBGZPJMESA-N 1 0 486.433 4.432 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+](C)Cc1ccccc1 ZINC001358972797 1068518774 /nfs/dbraw/zinc/51/87/74/1068518774.db2.gz TWKNOCHEXAFVKU-OAQYLSRUSA-N 1 0 457.647 4.336 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001358972890 1068519898 /nfs/dbraw/zinc/51/98/98/1068519898.db2.gz WUCPDPBOGMEGRM-QGZVFWFLSA-N 1 0 460.445 4.106 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358974744 1068523353 /nfs/dbraw/zinc/52/33/53/1068523353.db2.gz PRPCXXOAEKWFAH-NRFANRHFSA-N 1 0 456.432 4.147 20 30 JIEDRO C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358983435 1068531692 /nfs/dbraw/zinc/53/16/92/1068531692.db2.gz INTRUZWHBYIXLX-FQEVSTJZSA-N 1 0 456.059 4.419 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001358988365 1068547002 /nfs/dbraw/zinc/54/70/02/1068547002.db2.gz MFWQNAIASHMJDR-SFHVURJKSA-N 1 0 474.472 4.352 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001358998048 1068565840 /nfs/dbraw/zinc/56/58/40/1068565840.db2.gz NWEGEVFUHPVRFO-UHFFFAOYSA-N 1 0 461.654 4.349 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359004881 1068580151 /nfs/dbraw/zinc/58/01/51/1068580151.db2.gz NJJBAFRBEZJLJV-UHFFFAOYSA-N 1 0 479.650 4.320 20 30 JIEDRO C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359013141 1068588475 /nfs/dbraw/zinc/58/84/75/1068588475.db2.gz MMUBTOLSPPQPDC-UHFFFAOYSA-N 1 0 479.669 4.393 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1 ZINC001359016139 1068598261 /nfs/dbraw/zinc/59/82/61/1068598261.db2.gz QYJGMXIYSSSFLO-UHFFFAOYSA-N 1 0 450.949 4.034 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001359032265 1068643523 /nfs/dbraw/zinc/64/35/23/1068643523.db2.gz ICVGWGAWKKIRDJ-JOCHJYFZSA-N 1 0 497.043 4.038 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359032403 1068645271 /nfs/dbraw/zinc/64/52/71/1068645271.db2.gz NCCBJPBMWAFYBY-ZEQRLZLVSA-N 1 0 462.686 4.021 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359049748 1068669794 /nfs/dbraw/zinc/66/97/94/1068669794.db2.gz VNTFEPWIKXZGCW-FGZHOGPDSA-N 1 0 453.656 4.076 20 30 JIEDRO C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001359051486 1068677482 /nfs/dbraw/zinc/67/74/82/1068677482.db2.gz YDWXGVLUACWPSU-QFIPXVFZSA-N 1 0 497.709 4.277 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359064251 1068706006 /nfs/dbraw/zinc/70/60/06/1068706006.db2.gz ORTDVOSHGMEAQA-JVFUWBCBSA-N 1 0 451.546 4.445 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359066209 1068711594 /nfs/dbraw/zinc/71/15/94/1068711594.db2.gz RMJKAUFRUMVRFB-RUZDIDTESA-N 1 0 456.034 4.480 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001359066637 1068713689 /nfs/dbraw/zinc/71/36/89/1068713689.db2.gz IJCDVVLBZYQKNZ-UFHPHHKVSA-N 1 0 463.670 4.472 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1OCC[NH+](C)C ZINC001300440974 1068714184 /nfs/dbraw/zinc/71/41/84/1068714184.db2.gz CQJCMSJEMZBFNG-UHFFFAOYSA-N 1 0 463.651 4.334 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC[NH+]1CCCCC1 ZINC001359067675 1068717600 /nfs/dbraw/zinc/71/76/00/1068717600.db2.gz XKVMHOFTQZFHRI-HSZRJFAPSA-N 1 0 472.431 4.194 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359067549 1068717726 /nfs/dbraw/zinc/71/77/26/1068717726.db2.gz SJWFAUWAEDQPKP-KDYSTLNUSA-N 1 0 465.642 4.465 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300443254 1068727240 /nfs/dbraw/zinc/72/72/40/1068727240.db2.gz CTTNVFJDQKYXOW-NHCUHLMSSA-N 1 0 477.609 4.074 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359074291 1068729728 /nfs/dbraw/zinc/72/97/28/1068729728.db2.gz XUIIEQSNRFPLGI-VANUSSGQSA-N 1 0 453.606 4.499 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359074156 1068729895 /nfs/dbraw/zinc/72/98/95/1068729895.db2.gz SVEILVLPRKEGBC-QFQXNSOFSA-N 1 0 451.615 4.122 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359078649 1068741427 /nfs/dbraw/zinc/74/14/27/1068741427.db2.gz KBKRNVIGUBJZBV-KDURUIRLSA-N 1 0 499.457 4.051 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359078624 1068741469 /nfs/dbraw/zinc/74/14/69/1068741469.db2.gz JITGEMWKTBXUJB-UHFFFAOYSA-N 1 0 455.404 4.180 20 30 JIEDRO C=C(Br)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001359078739 1068742082 /nfs/dbraw/zinc/74/20/82/1068742082.db2.gz MDTCKNQFIDQGHK-QGZVFWFLSA-N 1 0 494.503 4.341 20 30 JIEDRO C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359080063 1068749394 /nfs/dbraw/zinc/74/93/94/1068749394.db2.gz FAYBTDINTJMKRW-LJQANCHMSA-N 1 0 455.404 4.038 20 30 JIEDRO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359083326 1068757868 /nfs/dbraw/zinc/75/78/68/1068757868.db2.gz HTYUHOWMYIFDTE-VQTJNVASSA-N 1 0 460.420 4.139 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359085759 1068765459 /nfs/dbraw/zinc/76/54/59/1068765459.db2.gz YIBKAQDBUDPLBO-UHFFFAOYSA-N 1 0 464.427 4.473 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359092980 1068793031 /nfs/dbraw/zinc/79/30/31/1068793031.db2.gz ISXSFLDNJYJQEC-FPOVZHCZSA-N 1 0 475.584 4.448 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359093513 1068794826 /nfs/dbraw/zinc/79/48/26/1068794826.db2.gz OQDHIRRSXXPCPU-SFLYRZDNSA-N 1 0 453.631 4.103 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359095782 1068800420 /nfs/dbraw/zinc/80/04/20/1068800420.db2.gz RRURGHFBIZKLEQ-CPJSRVTESA-N 1 0 483.657 4.254 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359101343 1068805916 /nfs/dbraw/zinc/80/59/16/1068805916.db2.gz NGPVQCWLAZYZBP-XUZZJYLKSA-N 1 0 458.050 4.424 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359102055 1068806582 /nfs/dbraw/zinc/80/65/82/1068806582.db2.gz VVOIYAVPYUEKOM-HOYKHHGWSA-N 1 0 459.585 4.095 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359103337 1068809623 /nfs/dbraw/zinc/80/96/23/1068809623.db2.gz NAROTCFPDXPOBT-RDPSFJRHSA-N 1 0 474.049 4.270 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001359105209 1068814067 /nfs/dbraw/zinc/81/40/67/1068814067.db2.gz LKIDJIHJXNSRII-GMAHTHKFSA-N 1 0 455.622 4.408 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001300473019 1068816802 /nfs/dbraw/zinc/81/68/02/1068816802.db2.gz MQAIKYPJKNEVQU-IBGZPJMESA-N 1 0 474.447 4.344 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001359107841 1068817492 /nfs/dbraw/zinc/81/74/92/1068817492.db2.gz WSEFMXGFWARPRQ-YADARESESA-N 1 0 462.038 4.157 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359111842 1068822001 /nfs/dbraw/zinc/82/20/01/1068822001.db2.gz PBHHVJJMCNWBRR-NRFANRHFSA-N 1 0 477.657 4.342 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001300478851 1068830652 /nfs/dbraw/zinc/83/06/52/1068830652.db2.gz DCGVKPROYKDHCU-PSWAGMNNSA-N 1 0 492.668 4.152 20 30 JIEDRO C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359121208 1068832648 /nfs/dbraw/zinc/83/26/48/1068832648.db2.gz BICKMRMGSWFYFH-SFTDATJTSA-N 1 0 458.651 4.033 20 30 JIEDRO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001359122742 1068833743 /nfs/dbraw/zinc/83/37/43/1068833743.db2.gz SWMLJYLXSOHSTE-SFTDATJTSA-N 1 0 457.066 4.093 20 30 JIEDRO C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359136960 1068846939 /nfs/dbraw/zinc/84/69/39/1068846939.db2.gz ACPNHFSTGCTENR-YADHBBJMSA-N 1 0 488.677 4.007 20 30 JIEDRO C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001359143007 1068852543 /nfs/dbraw/zinc/85/25/43/1068852543.db2.gz RZORSOYMOBTVTN-IEBWSBKVSA-N 1 0 468.429 4.371 20 30 JIEDRO C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001359143839 1068854384 /nfs/dbraw/zinc/85/43/84/1068854384.db2.gz OOOPLXTVVPLULL-FQEVSTJZSA-N 1 0 493.881 4.065 20 30 JIEDRO C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2CCN(CC)CC2)CC1 ZINC001359159587 1068870293 /nfs/dbraw/zinc/87/02/93/1068870293.db2.gz ZLMKIAJXHXIFKK-JOCHJYFZSA-N 1 0 470.637 4.131 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001359162559 1068873609 /nfs/dbraw/zinc/87/36/09/1068873609.db2.gz VMHSHYJKKOPVCZ-OAQYLSRUSA-N 1 0 492.437 4.360 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)C[NH+](C)C ZINC001300509388 1068884716 /nfs/dbraw/zinc/88/47/16/1068884716.db2.gz KOSBEUJZHKPLTA-HXUWFJFHSA-N 1 0 456.034 4.349 20 30 JIEDRO C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001359173452 1068885250 /nfs/dbraw/zinc/88/52/50/1068885250.db2.gz GRSVDQLDXFUOPI-UGKGYDQZSA-N 1 0 474.049 4.321 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359175723 1068888861 /nfs/dbraw/zinc/88/88/61/1068888861.db2.gz XAXVOPYHBYJVTJ-FQEVSTJZSA-N 1 0 485.698 4.262 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300511499 1068889573 /nfs/dbraw/zinc/88/95/73/1068889573.db2.gz JMYXDEAHHJYAOR-RPBOFIJWSA-N 1 0 461.654 4.476 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300512358 1068891663 /nfs/dbraw/zinc/89/16/63/1068891663.db2.gz OZDOJBHYGCNNGE-WOVHNISZSA-N 1 0 451.590 4.141 20 30 JIEDRO C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001359182015 1068905427 /nfs/dbraw/zinc/90/54/27/1068905427.db2.gz PDVJZRWAJNGYDE-QFIPXVFZSA-N 1 0 485.698 4.338 20 30 JIEDRO C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359191273 1068934825 /nfs/dbraw/zinc/93/48/25/1068934825.db2.gz UANDQYBLWZSUOW-UHFFFAOYSA-N 1 0 470.687 4.327 20 30 JIEDRO C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001300541256 1068973223 /nfs/dbraw/zinc/97/32/23/1068973223.db2.gz ONPYZJKDCGIIQT-URXFXBBRSA-N 1 0 472.662 4.007 20 30 JIEDRO C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001359210409 1068993212 /nfs/dbraw/zinc/99/32/12/1068993212.db2.gz RZMCGOJPPTZOPA-MRXNPFEDSA-N 1 0 482.854 4.484 20 30 JIEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359219289 1069005663 /nfs/dbraw/zinc/00/56/63/1069005663.db2.gz MGYXGXQLUVZGCO-UHFFFAOYSA-N 1 0 466.674 4.127 20 30 JIEDRO C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359222810 1069012400 /nfs/dbraw/zinc/01/24/00/1069012400.db2.gz SXLAWUWJLRTHFZ-FPOVZHCZSA-N 1 0 460.022 4.339 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300558892 1069022776 /nfs/dbraw/zinc/02/27/76/1069022776.db2.gz FUIHIITXYAUJMX-PMACEKPBSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300559114 1069024540 /nfs/dbraw/zinc/02/45/40/1069024540.db2.gz JJXSBVJJZMPQTL-OAQYLSRUSA-N 1 0 456.432 4.147 20 30 JIEDRO C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001359227861 1069024700 /nfs/dbraw/zinc/02/47/00/1069024700.db2.gz NZRDZWUETSTWOE-UHFFFAOYSA-N 1 0 473.612 4.441 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)C[NH+](C)C ZINC001300559171 1069024874 /nfs/dbraw/zinc/02/48/74/1069024874.db2.gz KYWCGGQBOVFADC-UHFFFAOYSA-N 1 0 456.638 4.403 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300559659 1069026732 /nfs/dbraw/zinc/02/67/32/1069026732.db2.gz WMYQXBPIMXYVKW-QFIPXVFZSA-N 1 0 454.622 4.387 20 30 JIEDRO C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359232772 1069029695 /nfs/dbraw/zinc/02/96/95/1069029695.db2.gz DVDPEXDZPHRRES-QHCPKHFHSA-N 1 0 454.669 4.437 20 30 JIEDRO C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001359233062 1069030029 /nfs/dbraw/zinc/03/00/29/1069030029.db2.gz PGNSFJQJLTXMGB-SFHVURJKSA-N 1 0 459.392 4.098 20 30 JIEDRO C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359237972 1069038171 /nfs/dbraw/zinc/03/81/71/1069038171.db2.gz UQXLVBNHHCSMLY-NRFANRHFSA-N 1 0 477.638 4.223 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001300591364 1069155944 /nfs/dbraw/zinc/15/59/44/1069155944.db2.gz OTXMQKSKYGCZJL-UHFFFAOYSA-N 1 0 498.469 4.347 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300591628 1069156643 /nfs/dbraw/zinc/15/66/43/1069156643.db2.gz VHHQURBUYGZSKC-OAQYLSRUSA-N 1 0 498.469 4.347 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300591626 1069156876 /nfs/dbraw/zinc/15/68/76/1069156876.db2.gz VHHQURBUYGZSKC-NRFANRHFSA-N 1 0 498.469 4.347 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300595233 1069170029 /nfs/dbraw/zinc/17/00/29/1069170029.db2.gz JOZWIIDJUDPMSM-RBZQAINGSA-N 1 0 453.675 4.172 20 30 JIEDRO C=CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001359253480 1069206476 /nfs/dbraw/zinc/20/64/76/1069206476.db2.gz HTQLOKIAPHEHQN-OYRHEFFESA-N 1 0 453.631 4.208 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359254797 1069225745 /nfs/dbraw/zinc/22/57/45/1069225745.db2.gz CZRIUXSHJNMTPZ-RUZDIDTESA-N 1 0 489.668 4.278 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359257600 1069259065 /nfs/dbraw/zinc/25/90/65/1069259065.db2.gz OWWUNUIDDQZRGZ-UHFFFAOYSA-N 1 0 496.725 4.361 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001359257702 1069259832 /nfs/dbraw/zinc/25/98/32/1069259832.db2.gz SSORGQKDCGXXAB-UHFFFAOYSA-N 1 0 499.457 4.075 20 30 JIEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cn1 ZINC000849612574 1069275196 /nfs/dbraw/zinc/27/51/96/1069275196.db2.gz JKODQWIQSKUKJW-HZPDHXFCSA-N 1 0 466.401 4.384 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359259268 1069277492 /nfs/dbraw/zinc/27/74/92/1069277492.db2.gz QGPNXKBSQKQWKH-DHIUTWEWSA-N 1 0 478.685 4.350 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359260229 1069280121 /nfs/dbraw/zinc/28/01/21/1069280121.db2.gz XKDVQYLSRGGPTE-NRFANRHFSA-N 1 0 468.621 4.110 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359261265 1069283721 /nfs/dbraw/zinc/28/37/21/1069283721.db2.gz BXEWHBKBVXUDGS-QFIPXVFZSA-N 1 0 482.629 4.210 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC001359264536 1069296425 /nfs/dbraw/zinc/29/64/25/1069296425.db2.gz HRJOQLGYRBYUIE-FCHUYYIVSA-N 1 0 456.679 4.085 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001359264537 1069296677 /nfs/dbraw/zinc/29/66/77/1069296677.db2.gz HRJOQLGYRBYUIE-FGZHOGPDSA-N 1 0 456.679 4.085 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300638262 1069297522 /nfs/dbraw/zinc/29/75/22/1069297522.db2.gz QDAZVRJAYXODSP-UHFFFAOYSA-N 1 0 474.447 4.344 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001359264954 1069298339 /nfs/dbraw/zinc/29/83/39/1069298339.db2.gz UQYYSJRGSKEKQG-XMSQKQJNSA-N 1 0 489.039 4.103 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001359265281 1069299730 /nfs/dbraw/zinc/29/97/30/1069299730.db2.gz CIOSJAAEMFTEQV-TZRRMPRUSA-N 1 0 471.690 4.002 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)S[C@@H](C)C1)C(C)C ZINC001359265795 1069300216 /nfs/dbraw/zinc/30/02/16/1069300216.db2.gz LZFJKRDHPPGSAX-ZVDOUQERSA-N 1 0 486.686 4.035 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)C ZINC001359265660 1069300320 /nfs/dbraw/zinc/30/03/20/1069300320.db2.gz JYPOSQHBWZVBMJ-JOCHJYFZSA-N 1 0 452.647 4.433 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C2CC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC001359265830 1069300933 /nfs/dbraw/zinc/30/09/33/1069300933.db2.gz MSSFDPYUJSWUTD-XPWALMASSA-N 1 0 484.689 4.157 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCOC2(CCCC2)C1)C(C)C ZINC001359265987 1069300969 /nfs/dbraw/zinc/30/09/69/1069300969.db2.gz QKMJLPPGHOBXDZ-HSZRJFAPSA-N 1 0 450.631 4.188 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)c(Cl)cc3C#N)CC2)c2ccccc21 ZINC001164680775 719669460 /nfs/dbraw/zinc/66/94/60/719669460.db2.gz HMKCPFUEDXWCHL-QGZVFWFLSA-N 1 0 486.447 4.353 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)c2ccccc21 ZINC001164681490 719676063 /nfs/dbraw/zinc/67/60/63/719676063.db2.gz LXPSQQPGHXKMOH-DEOSSOPVSA-N 1 0 494.643 4.109 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164710597 720098229 /nfs/dbraw/zinc/09/82/29/720098229.db2.gz JQXPFFMRHGTVIK-IZZNHLLZSA-N 1 0 482.632 4.343 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2 ZINC001164710188 720100776 /nfs/dbraw/zinc/10/07/76/720100776.db2.gz HAAIXNGWUVDWJW-HXUWFJFHSA-N 1 0 462.985 4.057 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164822723 720356534 /nfs/dbraw/zinc/35/65/34/720356534.db2.gz DUWKDQKFZLCMDE-LEWJYISDSA-N 1 0 469.992 4.119 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842842 720642468 /nfs/dbraw/zinc/64/24/68/720642468.db2.gz VUUXXMGEJOMPSQ-PCCBWWKXSA-N 1 0 478.000 4.368 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@@H]21 ZINC001164838750 720643762 /nfs/dbraw/zinc/64/37/62/720643762.db2.gz LLLMQSVVGPWESZ-URVUXULASA-N 1 0 478.000 4.368 20 30 JIEDRO COc1cc(C(F)(F)N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)c(Cl)n1 ZINC001164842664 720699631 /nfs/dbraw/zinc/69/96/31/720699631.db2.gz MKBHMGVPYLRIQW-GOSISDBHSA-N 1 0 476.955 4.420 20 30 JIEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755502 720874778 /nfs/dbraw/zinc/87/47/78/720874778.db2.gz YAKSTBOVRUCRMY-YKSBVNFPSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164757430 720888509 /nfs/dbraw/zinc/88/85/09/720888509.db2.gz UPOYKSFMMXOSNB-ZJSXRUAMSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164757439 720892664 /nfs/dbraw/zinc/89/26/64/720892664.db2.gz URTSOKFCFKCGAY-QPPBQGQZSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164755161 720929469 /nfs/dbraw/zinc/92/94/69/720929469.db2.gz ZFWXRPYNLVXZGP-DVECYGJZSA-N 1 0 472.420 4.410 20 30 JIEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C#C[Si](C)(C)C)ccn3)C2)C1 ZINC001164781489 721374618 /nfs/dbraw/zinc/37/46/18/721374618.db2.gz JWNZSNAQERVRJC-VWLOTQADSA-N 1 0 452.675 4.034 20 30 JIEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164807410 721557280 /nfs/dbraw/zinc/55/72/80/721557280.db2.gz SXBLFTVMMIYANS-QTJGBDASSA-N 1 0 478.959 4.071 20 30 JIEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164966938 722062048 /nfs/dbraw/zinc/06/20/48/722062048.db2.gz ZPYWKDMYWNOVHO-UHFFFAOYSA-N 1 0 490.995 4.308 20 30 JIEDRO C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCO2 ZINC001164978110 722170137 /nfs/dbraw/zinc/17/01/37/722170137.db2.gz POLRKDNIYADFST-PGRDOPGGSA-N 1 0 453.961 4.235 20 30 JIEDRO C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359272092 1069310171 /nfs/dbraw/zinc/31/01/71/1069310171.db2.gz KONAUOBRTPLPRN-ZFGGDYGUSA-N 1 0 451.615 4.337 20 30 JIEDRO C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[NH+](C)C ZINC001359275301 1069311756 /nfs/dbraw/zinc/31/17/56/1069311756.db2.gz PPIOGPURFLEOKM-GOSISDBHSA-N 1 0 471.447 4.231 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300647030 1069322451 /nfs/dbraw/zinc/32/24/51/1069322451.db2.gz NGOJJORFCPFAHO-BCQCSXDESA-N 1 0 480.657 4.364 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300648847 1069327034 /nfs/dbraw/zinc/32/70/34/1069327034.db2.gz PTISLBWLYRJSBI-NHCUHLMSSA-N 1 0 475.616 4.271 20 30 JIEDRO C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001359287262 1069333273 /nfs/dbraw/zinc/33/32/73/1069333273.db2.gz UNNAOTZCYBZJDT-UHFFFAOYSA-N 1 0 480.657 4.209 20 30 JIEDRO C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359296167 1069343240 /nfs/dbraw/zinc/34/32/40/1069343240.db2.gz ZFYQZUQPXVJEHQ-QFIPXVFZSA-N 1 0 478.685 4.291 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+](C)C1CCCC1 ZINC001300656235 1069350968 /nfs/dbraw/zinc/35/09/68/1069350968.db2.gz BTLHVPCZPNZWIX-LJQANCHMSA-N 1 0 455.672 4.092 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001300656274 1069351188 /nfs/dbraw/zinc/35/11/88/1069351188.db2.gz CFPRJOGUBFDMQW-FQEVSTJZSA-N 1 0 455.672 4.093 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300657331 1069356429 /nfs/dbraw/zinc/35/64/29/1069356429.db2.gz XDPPLNSMSHFGKB-UHFFFAOYSA-N 1 0 469.699 4.484 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359312996 1069357367 /nfs/dbraw/zinc/35/73/67/1069357367.db2.gz FHWWBQNIZZXUST-BJKOFHAPSA-N 1 0 497.684 4.052 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001359314646 1069361281 /nfs/dbraw/zinc/36/12/81/1069361281.db2.gz FLYASBUASSKTMS-PQNGQFLHSA-N 1 0 453.631 4.103 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300664434 1069383557 /nfs/dbraw/zinc/38/35/57/1069383557.db2.gz BSSIKGJQDDNSTG-XXBNENTESA-N 1 0 467.614 4.315 20 30 JIEDRO C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001359337469 1069395468 /nfs/dbraw/zinc/39/54/68/1069395468.db2.gz SXPJCDAOBZEHRZ-APWZRJJASA-N 1 0 462.461 4.300 20 30 JIEDRO C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001359338432 1069398173 /nfs/dbraw/zinc/39/81/73/1069398173.db2.gz WGPPXGCJTDXIRB-UHFFFAOYSA-N 1 0 462.461 4.301 20 30 JIEDRO C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359338357 1069398241 /nfs/dbraw/zinc/39/82/41/1069398241.db2.gz SXGBYWHSPJJCFU-UHFFFAOYSA-N 1 0 462.461 4.159 20 30 JIEDRO C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359345226 1069413497 /nfs/dbraw/zinc/41/34/97/1069413497.db2.gz YBPSODAWQZOBAZ-UHFFFAOYSA-N 1 0 457.688 4.302 20 30 JIEDRO C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300673176 1069413483 /nfs/dbraw/zinc/41/34/83/1069413483.db2.gz GQXHEZVPXOJNDK-NZQKXSOJSA-N 1 0 469.680 4.161 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[N@H+](C)C(C)C ZINC001300677770 1069433313 /nfs/dbraw/zinc/43/33/13/1069433313.db2.gz APXSGADWFUIECM-XMMPIXPASA-N 1 0 456.660 4.439 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359466661 1069600973 /nfs/dbraw/zinc/60/09/73/1069600973.db2.gz FPHHZUXYWUKBPY-KZNAEPCWSA-N 1 0 489.462 4.191 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001359470077 1069617189 /nfs/dbraw/zinc/61/71/89/1069617189.db2.gz QFHKYCVGQUIHTD-WMZOPIPTSA-N 1 0 456.019 4.488 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359472142 1069620658 /nfs/dbraw/zinc/62/06/58/1069620658.db2.gz GQSVPEIKMKFQON-GMAHTHKFSA-N 1 0 495.672 4.120 20 30 JIEDRO 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 ZINC001359473357 1069623101 /nfs/dbraw/zinc/62/31/01/1069623101.db2.gz AKXRULJHCYRLBK-TZIWHRDSSA-N 1 0 487.693 4.109 20 30 JIEDRO CC(C)(C)C1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001359498620 1069747288 /nfs/dbraw/zinc/74/72/88/1069747288.db2.gz HJBOTTPGFVFMLF-DEOSSOPVSA-N 1 0 462.642 4.236 20 30 JIEDRO CC(C)(C)c1nccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001359500517 1069759650 /nfs/dbraw/zinc/75/96/50/1069759650.db2.gz YSLFRCHYZKZWSI-UHFFFAOYSA-N 1 0 486.668 4.458 20 30 JIEDRO CC(C)(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCCC[NH+]1CCCC1 ZINC001359512334 1069794160 /nfs/dbraw/zinc/79/41/60/1069794160.db2.gz XMDMNOCJMSRPHW-UHFFFAOYSA-N 1 0 463.674 4.430 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 ZINC001359548860 1069856432 /nfs/dbraw/zinc/85/64/32/1069856432.db2.gz SYNJAUGTUFWBAH-NRFANRHFSA-N 1 0 468.671 4.183 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCCC1 ZINC001359659159 1070263648 /nfs/dbraw/zinc/26/36/48/1070263648.db2.gz QSZJIKXQGLQJJU-VWLOTQADSA-N 1 0 491.684 4.020 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315625277 1064766605 /nfs/dbraw/zinc/76/66/05/1064766605.db2.gz IRVREILTRCCZDH-YPCDYVTLSA-N 1 0 468.621 4.078 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001315665243 1064878267 /nfs/dbraw/zinc/87/82/67/1064878267.db2.gz YZNLPZKDZSWLJR-QFIPXVFZSA-N 1 0 498.697 4.066 20 30 JIEDRO COCC(C)(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001315759927 1065068636 /nfs/dbraw/zinc/06/86/36/1065068636.db2.gz WAPXUMOPPSEDAT-UHFFFAOYSA-N 1 0 475.641 4.310 20 30 JIEDRO COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001315865292 1065280758 /nfs/dbraw/zinc/28/07/58/1065280758.db2.gz RKNUNWYQZJPUDC-UHFFFAOYSA-N 1 0 462.642 4.358 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315887203 1065337581 /nfs/dbraw/zinc/33/75/81/1065337581.db2.gz IGGXZMPPGALWSD-CQOQZXRMSA-N 1 0 480.657 4.102 20 30 JIEDRO COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001315894123 1065357971 /nfs/dbraw/zinc/35/79/71/1065357971.db2.gz ZZDXVZQTSKSTHW-CQOQZXRMSA-N 1 0 464.658 4.438 20 30 JIEDRO CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)ccn1 ZINC001316414289 1066207788 /nfs/dbraw/zinc/20/77/88/1066207788.db2.gz NCZCCDXEELTBIV-UHFFFAOYSA-N 1 0 461.639 4.293 20 30 JIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(F)(F)F ZINC001316503628 1066470383 /nfs/dbraw/zinc/47/03/83/1066470383.db2.gz BAJUEQQFICCJCU-KRWDZBQOSA-N 1 0 476.547 4.095 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCCCCO)c1 ZINC001316531099 1066550826 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/nfs/dbraw/zinc/04/30/73/1067043073.db2.gz UDWSDUWOMMGWIX-UHFFFAOYSA-N 1 0 455.050 4.008 20 30 JIEDRO C=CC[N@H+]1CCC[C@H]1CNC(=S)Nc1c(F)cc(Br)cc1Br ZINC001200808799 1067247430 /nfs/dbraw/zinc/24/74/30/1067247430.db2.gz SJNLJXGNFSAYMK-NSHDSACASA-N 1 0 451.203 4.288 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300778890 1067334121 /nfs/dbraw/zinc/33/41/21/1067334121.db2.gz IRGROHRCZPVUPF-WXVAWEFUSA-N 1 0 462.642 4.260 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001300782884 1067340464 /nfs/dbraw/zinc/34/04/64/1067340464.db2.gz SMKNXVXAOOWKLV-SFHVURJKSA-N 1 0 450.587 4.319 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001200009650 1067355556 /nfs/dbraw/zinc/35/55/56/1067355556.db2.gz DCVAXCWTNKUFFS-UHFFFAOYSA-N 1 0 451.571 4.179 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001300789322 1067357217 /nfs/dbraw/zinc/35/72/17/1067357217.db2.gz HHGKORKYXHTZAI-FDDCHVKYSA-N 1 0 456.432 4.350 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[N@H+](C)C(C)C)cc1Br ZINC001300029761 1067415780 /nfs/dbraw/zinc/41/57/80/1067415780.db2.gz WDPVXWXSGILBPZ-UHFFFAOYSA-N 1 0 475.435 4.186 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300030355 1067417420 /nfs/dbraw/zinc/41/74/20/1067417420.db2.gz GJHIFFGRMHPZBK-NHCUHLMSSA-N 1 0 450.631 4.452 20 30 JIEDRO C=CCCn1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)nn1 ZINC001356122031 1067665156 /nfs/dbraw/zinc/66/51/56/1067665156.db2.gz BJANNJIMFDXUAX-UHFFFAOYSA-N 1 0 450.974 4.082 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)Nc2ccccc2)cc1 ZINC000849059181 1067789344 /nfs/dbraw/zinc/78/93/44/1067789344.db2.gz HTWCJMSKXINJED-SANMLTNESA-N 1 0 486.616 4.427 20 30 JIEDRO CCNC(=O)COc1ccc(CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)cc1OC ZINC000849061112 1067791058 /nfs/dbraw/zinc/79/10/58/1067791058.db2.gz QIRKUVVRAXTUQA-UHFFFAOYSA-N 1 0 460.578 4.276 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300274547 1068057206 /nfs/dbraw/zinc/05/72/06/1068057206.db2.gz LFFAYNCXMUJNIC-IFMALSPDSA-N 1 0 467.658 4.382 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300280720 1068071878 /nfs/dbraw/zinc/07/18/78/1068071878.db2.gz FSVMSWYJSWXWNA-CVEARBPZSA-N 1 0 450.450 4.492 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CC[NH+](C)CC1 ZINC001300280724 1068071931 /nfs/dbraw/zinc/07/19/31/1068071931.db2.gz AJYLADMEYGPJSS-MSOLQXFVSA-N 1 0 457.713 4.417 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CCc2sccc2C1 ZINC001300286351 1068085912 /nfs/dbraw/zinc/08/59/12/1068085912.db2.gz ILBXETILKMGSRU-OAHLLOKOSA-N 1 0 488.430 4.424 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300289785 1068092069 /nfs/dbraw/zinc/09/20/69/1068092069.db2.gz JMEOJNISTBXKDZ-IEBWSBKVSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300291491 1068097385 /nfs/dbraw/zinc/09/73/85/1068097385.db2.gz SSRSUQJLXWRJMH-HXUWFJFHSA-N 1 0 453.631 4.178 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300292021 1068097765 /nfs/dbraw/zinc/09/77/65/1068097765.db2.gz WJFHNNNKIRCJNP-ZWKOTPCHSA-N 1 0 474.447 4.295 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300298765 1068134603 /nfs/dbraw/zinc/13/46/03/1068134603.db2.gz HSAZKYQWUWXJSY-GBXCKJPGSA-N 1 0 489.668 4.204 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000510235395 1068161690 /nfs/dbraw/zinc/16/16/90/1068161690.db2.gz JFMOZKJXCKBSHI-FQEVSTJZSA-N 1 0 464.620 4.488 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001300329580 1068266340 /nfs/dbraw/zinc/26/63/40/1068266340.db2.gz QPYMTIBDBIFESP-AGILITTLSA-N 1 0 463.670 4.492 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001300334212 1068299516 /nfs/dbraw/zinc/29/95/16/1068299516.db2.gz IJSJHKMYKQSTJH-DEOSSOPVSA-N 1 0 464.658 4.043 20 30 JIEDRO C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001300347915 1068350854 /nfs/dbraw/zinc/35/08/54/1068350854.db2.gz HMDDFGYSJKTIHG-UHFFFAOYSA-N 1 0 472.431 4.194 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001358871799 1068366239 /nfs/dbraw/zinc/36/62/39/1068366239.db2.gz KPYIRDGVNZWFBV-NHCUHLMSSA-N 1 0 483.632 4.439 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC[NH+]1CCCCCC1 ZINC001358876747 1068374249 /nfs/dbraw/zinc/37/42/49/1068374249.db2.gz PMUYLMJVNPJXLR-QGZVFWFLSA-N 1 0 460.420 4.050 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001358880290 1068379404 /nfs/dbraw/zinc/37/94/04/1068379404.db2.gz JDEWNAAOHCXIJM-AEFFLSMTSA-N 1 0 460.420 4.049 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001358881795 1068380766 /nfs/dbraw/zinc/38/07/66/1068380766.db2.gz NJHPOHLVSFWPGN-NHCUHLMSSA-N 1 0 453.631 4.321 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358889296 1068387165 /nfs/dbraw/zinc/38/71/65/1068387165.db2.gz ZXNBPYHIWLWHHH-ISKFKSNPSA-N 1 0 494.684 4.373 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001358897889 1068393036 /nfs/dbraw/zinc/39/30/36/1068393036.db2.gz HZRXZUBAJXGSOH-HXUWFJFHSA-N 1 0 469.699 4.440 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001358901511 1068399815 /nfs/dbraw/zinc/39/98/15/1068399815.db2.gz NHMVJYCZQLUISE-NHCUHLMSSA-N 1 0 487.652 4.086 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001358901568 1068401611 /nfs/dbraw/zinc/40/16/11/1068401611.db2.gz OWWSYKQSBSANOX-QFIPXVFZSA-N 1 0 494.043 4.026 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001358902210 1068403415 /nfs/dbraw/zinc/40/34/15/1068403415.db2.gz HIDVTNQSVYAFJS-QFIPXVFZSA-N 1 0 476.650 4.356 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001358903294 1068407248 /nfs/dbraw/zinc/40/72/48/1068407248.db2.gz RARSHBZLSVKUAA-OYRHEFFESA-N 1 0 476.669 4.043 20 30 JIEDRO C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001358904152 1068409009 /nfs/dbraw/zinc/40/90/09/1068409009.db2.gz WYDXPRNYWHRIBC-UHFFFAOYSA-N 1 0 450.631 4.261 20 30 JIEDRO C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001358904777 1068410828 /nfs/dbraw/zinc/41/08/28/1068410828.db2.gz LRUICYLPKZKHGT-SFTDATJTSA-N 1 0 469.605 4.050 20 30 JIEDRO C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001358912646 1068434550 /nfs/dbraw/zinc/43/45/50/1068434550.db2.gz VMJSYFQTJAEWEP-PKTZIBPZSA-N 1 0 484.689 4.261 20 30 JIEDRO C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001300373156 1068435784 /nfs/dbraw/zinc/43/57/84/1068435784.db2.gz QARLLSCFCISUQF-QGZVFWFLSA-N 1 0 450.414 4.498 20 30 JIEDRO C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001300376277 1068448763 /nfs/dbraw/zinc/44/87/63/1068448763.db2.gz IYRNNDXWBFEHKI-HBMCJLEFSA-N 1 0 458.651 4.073 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001300386175 1068488664 /nfs/dbraw/zinc/48/86/64/1068488664.db2.gz MIOTYVXLGLQOJR-IBGZPJMESA-N 1 0 473.463 4.397 20 30 JIEDRO C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001358947976 1068499916 /nfs/dbraw/zinc/49/99/16/1068499916.db2.gz PVULRRHYZCNHGH-QFIPXVFZSA-N 1 0 496.656 4.282 20 30 JIEDRO C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001358947975 1068500252 /nfs/dbraw/zinc/50/02/52/1068500252.db2.gz PVULRRHYZCNHGH-JOCHJYFZSA-N 1 0 496.656 4.282 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001358969043 1068508350 /nfs/dbraw/zinc/50/83/50/1068508350.db2.gz FUNRJTARRPCHOM-URXFXBBRSA-N 1 0 463.626 4.010 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358971520 1068514071 /nfs/dbraw/zinc/51/40/71/1068514071.db2.gz YRISHHFTWMHMAU-UHFFFAOYSA-N 1 0 454.043 4.033 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358972512 1068517431 /nfs/dbraw/zinc/51/74/31/1068517431.db2.gz HUQQCMMJVIIYHO-SFHVURJKSA-N 1 0 482.451 4.362 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001358972536 1068518504 /nfs/dbraw/zinc/51/85/04/1068518504.db2.gz IRAXCLWHQWCEHM-GOSISDBHSA-N 1 0 474.472 4.354 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001358982010 1068528117 /nfs/dbraw/zinc/52/81/17/1068528117.db2.gz GKFYTTQANNLQFB-GOTSBHOMSA-N 1 0 491.680 4.115 20 30 JIEDRO C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001300395345 1068530370 /nfs/dbraw/zinc/53/03/70/1068530370.db2.gz ZYNVEICSKMSNCK-QGZVFWFLSA-N 1 0 480.476 4.120 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001358988150 1068545958 /nfs/dbraw/zinc/54/59/58/1068545958.db2.gz FGVCODNGDBWWNO-XMMPIXPASA-N 1 0 457.578 4.155 20 30 JIEDRO C=CC[C@]1(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)CCCN1C(=O)OC(C)(C)C ZINC001353754799 1068552705 /nfs/dbraw/zinc/55/27/05/1068552705.db2.gz XWFCYSNHTMPFCQ-AREMUKBSSA-N 1 0 456.631 4.421 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358991252 1068554408 /nfs/dbraw/zinc/55/44/08/1068554408.db2.gz SQSLWRPJMVDTEC-AREMUKBSSA-N 1 0 469.637 4.248 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358991978 1068555239 /nfs/dbraw/zinc/55/52/39/1068555239.db2.gz VPLHFAQQEKJWQB-QFIPXVFZSA-N 1 0 470.602 4.427 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358995259 1068558389 /nfs/dbraw/zinc/55/83/89/1068558389.db2.gz KHYHAKBKOYCFIY-JOCHJYFZSA-N 1 0 465.592 4.407 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358996493 1068560577 /nfs/dbraw/zinc/56/05/77/1068560577.db2.gz HNHNYDAUUDEDFB-RUZDIDTESA-N 1 0 459.638 4.160 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001358997849 1068564674 /nfs/dbraw/zinc/56/46/74/1068564674.db2.gz GWZYNZJKKHVKOC-QHCPKHFHSA-N 1 0 461.654 4.349 20 30 JIEDRO C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359007572 1068582529 /nfs/dbraw/zinc/58/25/29/1068582529.db2.gz NOPPTNNGUXERFN-LYZGTLIUSA-N 1 0 489.668 4.035 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001359013889 1068590063 /nfs/dbraw/zinc/59/00/63/1068590063.db2.gz OXMRVLVDCWFISR-UHFFFAOYSA-N 1 0 486.060 4.253 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359016697 1068600511 /nfs/dbraw/zinc/60/05/11/1068600511.db2.gz KAXHRZJUALHRKI-UPVQGACJSA-N 1 0 453.606 4.216 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359019261 1068611194 /nfs/dbraw/zinc/61/11/94/1068611194.db2.gz OUWCXXGUVUCSOP-JOCHJYFZSA-N 1 0 488.474 4.304 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359030257 1068637020 /nfs/dbraw/zinc/63/70/20/1068637020.db2.gz RLCWHBVCZTXYRB-PKTZIBPZSA-N 1 0 499.103 4.481 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030484 1068637632 /nfs/dbraw/zinc/63/76/32/1068637632.db2.gz WYCBWJOMKXHRCP-WEWMWRJBSA-N 1 0 476.713 4.333 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030378 1068637686 /nfs/dbraw/zinc/63/76/86/1068637686.db2.gz VAKOYINSGWAHJQ-XPWALMASSA-N 1 0 499.103 4.195 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359033532 1068648589 /nfs/dbraw/zinc/64/85/89/1068648589.db2.gz FWXYCZSOZXUSTF-DEOSSOPVSA-N 1 0 462.667 4.153 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359049666 1068668667 /nfs/dbraw/zinc/66/86/67/1068668667.db2.gz UGOCEXFUILVZHB-PMACEKPBSA-N 1 0 471.646 4.234 20 30 JIEDRO C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001359050587 1068674641 /nfs/dbraw/zinc/67/46/41/1068674641.db2.gz VLJRHEHMYIHUAL-KRWDZBQOSA-N 1 0 494.478 4.381 20 30 JIEDRO C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001359053702 1068685403 /nfs/dbraw/zinc/68/54/03/1068685403.db2.gz WCPYTHARQSZUAF-NRFANRHFSA-N 1 0 455.647 4.399 20 30 JIEDRO C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359060136 1068695820 /nfs/dbraw/zinc/69/58/20/1068695820.db2.gz LUGIKZCUPWICCL-UHFFFAOYSA-N 1 0 455.672 4.151 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001300437939 1068703695 /nfs/dbraw/zinc/70/36/95/1068703695.db2.gz AFARTTRFEKGMLK-JOCHJYFZSA-N 1 0 481.442 4.261 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCC[NH+]1CCCC1 ZINC001359063681 1068705022 /nfs/dbraw/zinc/70/50/22/1068705022.db2.gz AYJWVYGTTGJIOU-HFZDXXHNSA-N 1 0 451.615 4.295 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359063565 1068705258 /nfs/dbraw/zinc/70/52/58/1068705258.db2.gz XLCWIBXJBRUGCG-SSLSWHBASA-N 1 0 490.696 4.489 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359066311 1068712248 /nfs/dbraw/zinc/71/22/48/1068712248.db2.gz WULOIFASGCZULV-IEGUWTFLSA-N 1 0 473.463 4.396 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001359066918 1068714345 /nfs/dbraw/zinc/71/43/45/1068714345.db2.gz UXGHLVVMXNIHTB-CJFMBICVSA-N 1 0 450.587 4.358 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300441433 1068717229 /nfs/dbraw/zinc/71/72/29/1068717229.db2.gz OEYHQNFGBOGNGI-INIZCTEOSA-N 1 0 450.450 4.349 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+](CC)CCC ZINC001359070767 1068722501 /nfs/dbraw/zinc/72/25/01/1068722501.db2.gz UHCPZUVPGKPWPZ-AREMUKBSSA-N 1 0 472.678 4.117 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300443258 1068726926 /nfs/dbraw/zinc/72/69/26/1068726926.db2.gz CTTNVFJDQKYXOW-OYRHEFFESA-N 1 0 477.609 4.074 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359074358 1068730241 /nfs/dbraw/zinc/73/02/41/1068730241.db2.gz ZZELWHRCNMQQJZ-MUUNZHRXSA-N 1 0 495.668 4.137 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300446613 1068737764 /nfs/dbraw/zinc/73/77/64/1068737764.db2.gz MWVBSOOQRMMXTO-UHFFFAOYSA-N 1 0 462.425 4.356 20 30 JIEDRO C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359077911 1068737786 /nfs/dbraw/zinc/73/77/86/1068737786.db2.gz OBEBIRKWZZJFJZ-YESZJQIVSA-N 1 0 464.383 4.139 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccccc2Br)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001300450187 1068753195 /nfs/dbraw/zinc/75/31/95/1068753195.db2.gz RMOUDLKOPSSOLJ-UHFFFAOYSA-N 1 0 465.399 4.089 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359083325 1068757927 /nfs/dbraw/zinc/75/79/27/1068757927.db2.gz HTYUHOWMYIFDTE-UXHICEINSA-N 1 0 460.420 4.139 20 30 JIEDRO C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300456342 1068775103 /nfs/dbraw/zinc/77/51/03/1068775103.db2.gz ZIDBJSGZMYGJCF-OYRHEFFESA-N 1 0 489.668 4.062 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359106144 1068815945 /nfs/dbraw/zinc/81/59/45/1068815945.db2.gz YFRGNTVBJLKJIU-YUZJIJRXSA-N 1 0 467.658 4.285 20 30 JIEDRO C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359112792 1068822664 /nfs/dbraw/zinc/82/26/64/1068822664.db2.gz SIFZCBSIAVAEFH-QFIPXVFZSA-N 1 0 480.686 4.219 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001300476022 1068824895 /nfs/dbraw/zinc/82/48/95/1068824895.db2.gz VMLXIYRNLPULKB-FQEVSTJZSA-N 1 0 456.015 4.479 20 30 JIEDRO C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001359116005 1068825679 /nfs/dbraw/zinc/82/56/79/1068825679.db2.gz URZRMBBFNRXNEA-UHFFFAOYSA-N 1 0 461.658 4.379 20 30 JIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359117695 1068827239 /nfs/dbraw/zinc/82/72/39/1068827239.db2.gz OYZNRWZSWCNQFD-PMACEKPBSA-N 1 0 460.022 4.196 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001300479901 1068832186 /nfs/dbraw/zinc/83/21/86/1068832186.db2.gz UNAMNMCTGQJPDL-ILWGZMRPSA-N 1 0 480.657 4.248 20 30 JIEDRO C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359121197 1068832496 /nfs/dbraw/zinc/83/24/96/1068832496.db2.gz AZBOWHJJGSBMEU-RTWAWAEBSA-N 1 0 458.651 4.033 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359128690 1068839584 /nfs/dbraw/zinc/83/95/84/1068839584.db2.gz CAJJUZNBMRVHPM-UHFFFAOYSA-N 1 0 492.027 4.170 20 30 JIEDRO C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001359131608 1068842696 /nfs/dbraw/zinc/84/26/96/1068842696.db2.gz ZJTIALPJEVCVPM-HSZRJFAPSA-N 1 0 452.647 4.190 20 30 JIEDRO C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359136873 1068846930 /nfs/dbraw/zinc/84/69/30/1068846930.db2.gz XNKPPIOJLWNURX-UHFFFAOYSA-N 1 0 450.052 4.347 20 30 JIEDRO C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001359143840 1068854450 /nfs/dbraw/zinc/85/44/50/1068854450.db2.gz OOOPLXTVVPLULL-HXUWFJFHSA-N 1 0 493.881 4.065 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001359146228 1068858537 /nfs/dbraw/zinc/85/85/37/1068858537.db2.gz RJIUDAJJILRBIQ-UHFFFAOYSA-N 1 0 480.440 4.441 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001359161615 1068872901 /nfs/dbraw/zinc/87/29/01/1068872901.db2.gz KTPXOEFOJLEUNA-XMMPIXPASA-N 1 0 478.685 4.342 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001359162406 1068873651 /nfs/dbraw/zinc/87/36/51/1068873651.db2.gz PROHTACUGTZAII-NRFANRHFSA-N 1 0 453.631 4.487 20 30 JIEDRO C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001359168742 1068879289 /nfs/dbraw/zinc/87/92/89/1068879289.db2.gz HQZHUDCBYNIZMW-JOCHJYFZSA-N 1 0 455.672 4.272 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001359175772 1068888887 /nfs/dbraw/zinc/88/88/87/1068888887.db2.gz YTYWWIQMKNNBPK-RXFWQSSRSA-N 1 0 485.698 4.262 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300511442 1068889154 /nfs/dbraw/zinc/88/91/54/1068889154.db2.gz IUCAVVUUIQLWDV-KNQAVFIVSA-N 1 0 454.018 4.265 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001300512202 1068891125 /nfs/dbraw/zinc/89/11/25/1068891125.db2.gz ONINTXOTUSSXKU-KNQAVFIVSA-N 1 0 452.002 4.161 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001300512204 1068891687 /nfs/dbraw/zinc/89/16/87/1068891687.db2.gz ONINTXOTUSSXKU-UGKGYDQZSA-N 1 0 452.002 4.161 20 30 JIEDRO C=CC1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001359177726 1068892300 /nfs/dbraw/zinc/89/23/00/1068892300.db2.gz ZDMMVWVYIAQILY-JOCHJYFZSA-N 1 0 463.630 4.363 20 30 JIEDRO C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001359181136 1068902735 /nfs/dbraw/zinc/90/27/35/1068902735.db2.gz GVPDRKZWPUMVOW-FGZHOGPDSA-N 1 0 467.658 4.456 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300521245 1068912959 /nfs/dbraw/zinc/91/29/59/1068912959.db2.gz ULURJWTVWHKOSE-FQEVSTJZSA-N 1 0 498.450 4.153 20 30 JIEDRO C=CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001359191424 1068935606 /nfs/dbraw/zinc/93/56/06/1068935606.db2.gz YWUJHOYSPMXOLD-ILBGXUMGSA-N 1 0 480.701 4.249 20 30 JIEDRO C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359191389 1068935685 /nfs/dbraw/zinc/93/56/85/1068935685.db2.gz XLWQPGWGIQZDDM-FGZHOGPDSA-N 1 0 456.679 4.094 20 30 JIEDRO C=CCC(C)(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359192409 1068946259 /nfs/dbraw/zinc/94/62/59/1068946259.db2.gz DWTYSCZRSWWFIE-HFZDXXHNSA-N 1 0 459.679 4.232 20 30 JIEDRO C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359197465 1068968564 /nfs/dbraw/zinc/96/85/64/1068968564.db2.gz PZQXQISKTRFITO-UHFFFAOYSA-N 1 0 459.038 4.138 20 30 JIEDRO C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001300541255 1068973434 /nfs/dbraw/zinc/97/34/34/1068973434.db2.gz ONPYZJKDCGIIQT-QPPBQGQZSA-N 1 0 472.662 4.007 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300562711 1069038255 /nfs/dbraw/zinc/03/82/55/1069038255.db2.gz LPBLTDHORDJWLG-YZIHRLCOSA-N 1 0 450.631 4.128 20 30 JIEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359238142 1069038796 /nfs/dbraw/zinc/03/87/96/1069038796.db2.gz AGYFRMCBRATAFG-WOJBJXKFSA-N 1 0 477.657 4.054 20 30 JIEDRO C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359239630 1069040889 /nfs/dbraw/zinc/04/08/89/1069040889.db2.gz SVKMCYDBIPYINI-IFMALSPDSA-N 1 0 486.636 4.457 20 30 JIEDRO C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001359244142 1069046096 /nfs/dbraw/zinc/04/60/96/1069046096.db2.gz RTVOIAVQMNFULG-UHFFFAOYSA-N 1 0 453.631 4.070 20 30 JIEDRO C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359245316 1069055552 /nfs/dbraw/zinc/05/55/52/1069055552.db2.gz KCGBXKNWQGOYQW-KSZLIROESA-N 1 0 460.648 4.035 20 30 JIEDRO C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001359246967 1069080467 /nfs/dbraw/zinc/08/04/67/1069080467.db2.gz PRDASKPDMXHHSF-DLBZAZTESA-N 1 0 461.452 4.321 20 30 JIEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849503878 1069083230 /nfs/dbraw/zinc/08/32/30/1069083230.db2.gz MFJYDRJGTDQQAJ-SXOMAYOGSA-N 1 0 473.596 4.474 20 30 JIEDRO C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC001359250217 1069151467 /nfs/dbraw/zinc/15/14/67/1069151467.db2.gz FGUVJLGFDHGFID-LEWJYISDSA-N 1 0 472.678 4.279 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300595048 1069169282 /nfs/dbraw/zinc/16/92/82/1069169282.db2.gz GAKSAZUVRUFZPG-FGZHOGPDSA-N 1 0 465.617 4.216 20 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C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001359337470 1069395377 /nfs/dbraw/zinc/39/53/77/1069395377.db2.gz SXPJCDAOBZEHRZ-LPHOPBHVSA-N 1 0 462.461 4.300 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(C)(C#N)CC2)n1CC[NH+]1CCCCC1 ZINC001300672746 1069411395 /nfs/dbraw/zinc/41/13/95/1069411395.db2.gz PSBSBCDPMWNLCP-UHFFFAOYSA-N 1 0 454.644 4.195 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001359467146 1069603761 /nfs/dbraw/zinc/60/37/61/1069603761.db2.gz NLQCRLDGWIUHFZ-KRWDZBQOSA-N 1 0 496.457 4.468 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001359467147 1069603980 /nfs/dbraw/zinc/60/39/80/1069603980.db2.gz NLQCRLDGWIUHFZ-QGZVFWFLSA-N 1 0 496.457 4.468 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+](C)C1CCCC1 ZINC001359468632 1069611185 /nfs/dbraw/zinc/61/11/85/1069611185.db2.gz OLVFTOJCLXXDAG-HNNXBMFYSA-N 1 0 463.399 4.317 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359470890 1069620619 /nfs/dbraw/zinc/62/06/19/1069620619.db2.gz HQELHLNJBVJIDU-BDTNDASRSA-N 1 0 460.630 4.095 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001359478733 1069642946 /nfs/dbraw/zinc/64/29/46/1069642946.db2.gz ZGMXHQUJHFERBD-YTFSRNRJSA-N 1 0 486.705 4.075 20 30 JIEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CC1 ZINC001359547142 1069852057 /nfs/dbraw/zinc/85/20/57/1069852057.db2.gz CSOKGPVHJAOPFI-UHFFFAOYSA-N 1 0 464.639 4.397 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001315621417 1064756204 /nfs/dbraw/zinc/75/62/04/1064756204.db2.gz GTHKAWUXFIIMEB-UHFFFAOYSA-N 1 0 450.631 4.130 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001315703228 1064967539 /nfs/dbraw/zinc/96/75/39/1064967539.db2.gz DGRDBTWUQWAOIW-HSZRJFAPSA-N 1 0 494.684 4.491 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001315704646 1064971902 /nfs/dbraw/zinc/97/19/02/1064971902.db2.gz ILZJWPMFCDGTEC-OALUTQOASA-N 1 0 472.609 4.042 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001315705995 1064975991 /nfs/dbraw/zinc/97/59/91/1064975991.db2.gz PYFWOLUHIKKJEE-FQEVSTJZSA-N 1 0 450.631 4.333 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001315706642 1064977789 /nfs/dbraw/zinc/97/77/89/1064977789.db2.gz UENQXRXPUAIYSB-QHCPKHFHSA-N 1 0 482.698 4.284 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)[NH+](C)C)CC[C@@H]1C ZINC001315716932 1065008120 /nfs/dbraw/zinc/00/81/20/1065008120.db2.gz JEVGOJAEGRJSRA-IOMROCGXSA-N 1 0 450.612 4.042 20 30 JIEDRO CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCC(C)C)CC2)CC1(C)C ZINC001315718807 1065011641 /nfs/dbraw/zinc/01/16/41/1065011641.db2.gz MXXDVLHJZFHZQO-DEOSSOPVSA-N 1 0 464.658 4.436 20 30 JIEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC[C@@H]1C ZINC001315732950 1065031642 /nfs/dbraw/zinc/03/16/42/1065031642.db2.gz DQXPBGDWSVMOLD-CFQDUWEQSA-N 1 0 480.657 4.100 20 30 JIEDRO COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315909595 1065400964 /nfs/dbraw/zinc/40/09/64/1065400964.db2.gz ATOKKUQRHLHTCR-NRFANRHFSA-N 1 0 450.631 4.334 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001316099535 1065765746 /nfs/dbraw/zinc/76/57/46/1065765746.db2.gz FTCNEHRCKWYGLA-UHFFFAOYSA-N 1 0 487.048 4.000 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001316100728 1065767860 /nfs/dbraw/zinc/76/78/60/1065767860.db2.gz WZFCVWVTMCILAH-UHFFFAOYSA-N 1 0 487.048 4.000 20 30 JIEDRO CCc1ccc(C(C)(C)CNC(N[C@H]2CCOc3ccccc32)=[NH+]CC2(O)CCOCC2)cc1 ZINC001337620491 1066499811 /nfs/dbraw/zinc/49/98/11/1066499811.db2.gz CMJONBBBNMTUAC-DEOSSOPVSA-N 1 0 465.638 4.127 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CCCCCO)c1 ZINC001316531094 1066550760 /nfs/dbraw/zinc/55/07/60/1066550760.db2.gz ZRALJVVWGRZBFJ-QHCPKHFHSA-N 1 0 450.631 4.072 20 30 JIEDRO C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001318046660 1066870036 /nfs/dbraw/zinc/87/00/36/1066870036.db2.gz PDYDSHLJRDNQSL-LJQANCHMSA-N 1 0 476.042 4.183 20 30 JIEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1=S ZINC001318168933 1066936210 /nfs/dbraw/zinc/93/62/10/1066936210.db2.gz YKDXQEZLZNZYEL-DEOSSOPVSA-N 1 0 480.682 4.034 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001300682076 1067016567 /nfs/dbraw/zinc/01/65/67/1067016567.db2.gz DWWUGMOZTCKYMX-ZCYQVOJMSA-N 1 0 478.685 4.055 20 30 JIEDRO CCOC(=O)c1c(NC(=O)Cc2ccc(OCC#N)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001354711503 1067056709 /nfs/dbraw/zinc/05/67/09/1067056709.db2.gz HITFGTTUTDBRLU-UHFFFAOYSA-N 1 0 455.580 4.168 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC001351224850 1067061028 /nfs/dbraw/zinc/06/10/28/1067061028.db2.gz VNUALGNALASRBY-IPAATPLFSA-N 1 0 453.656 4.144 20 30 JIEDRO C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001320810942 1067094372 /nfs/dbraw/zinc/09/43/72/1067094372.db2.gz JOWDNAXXMAEVDQ-HXUWFJFHSA-N 1 0 474.026 4.032 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001300728769 1067149626 /nfs/dbraw/zinc/14/96/26/1067149626.db2.gz FOXXMAHAXFSVHR-QFIPXVFZSA-N 1 0 490.696 4.106 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001300742618 1067234156 /nfs/dbraw/zinc/23/41/56/1067234156.db2.gz PGEQHEOJIKZAJK-UHFFFAOYSA-N 1 0 482.517 4.446 20 30 JIEDRO C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300743216 1067238178 /nfs/dbraw/zinc/23/81/78/1067238178.db2.gz JAVZXSDDQOMXQB-LJQANCHMSA-N 1 0 457.713 4.276 20 30 JIEDRO C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001300768356 1067313574 /nfs/dbraw/zinc/31/35/74/1067313574.db2.gz PSTWLJBQNZIZHN-UNMCSNQZSA-N 1 0 488.101 4.291 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001300782204 1067338432 /nfs/dbraw/zinc/33/84/32/1067338432.db2.gz IZLYWOGVEIMRSE-NRFANRHFSA-N 1 0 468.671 4.038 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300789215 1067356813 /nfs/dbraw/zinc/35/68/13/1067356813.db2.gz CDQRKVAQNPHNEM-HTAPYJJXSA-N 1 0 492.487 4.262 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300029700 1067414761 /nfs/dbraw/zinc/41/47/61/1067414761.db2.gz UKFMZIUQALKVCS-OYRHEFFESA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001300030235 1067417638 /nfs/dbraw/zinc/41/76/38/1067417638.db2.gz DEGJCDLSGIFDNB-HXUWFJFHSA-N 1 0 466.630 4.357 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001300038087 1067450434 /nfs/dbraw/zinc/45/04/34/1067450434.db2.gz LARLFVOFBRYFQZ-UHFFFAOYSA-N 1 0 487.446 4.331 20 30 JIEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc3ccccc3n2CC#N)ccc1Cl ZINC001356553397 1067776441 /nfs/dbraw/zinc/77/64/41/1067776441.db2.gz GDQINGFUNHLBHV-UHFFFAOYSA-N 1 0 451.958 4.142 20 30 JIEDRO CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC001300156408 1067813087 /nfs/dbraw/zinc/81/30/87/1067813087.db2.gz BQPIHZZGVRHKBR-UHFFFAOYSA-N 1 0 454.596 4.385 20 30 JIEDRO CCC[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001357607961 1067876899 /nfs/dbraw/zinc/87/68/99/1067876899.db2.gz KHYWCEUHRRXANC-DHIUTWEWSA-N 1 0 456.631 4.477 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300275223 1068058062 /nfs/dbraw/zinc/05/80/62/1068058062.db2.gz RVOLQPRMRUVLTA-JTHBVZDNSA-N 1 0 465.642 4.138 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300275860 1068058788 /nfs/dbraw/zinc/05/87/88/1068058788.db2.gz BBTNWSURXXEKBN-WIYYLYMNSA-N 1 0 481.442 4.169 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001300276684 1068060636 /nfs/dbraw/zinc/06/06/36/1068060636.db2.gz PJIPYJCZIBQWNV-LAUBAEHRSA-N 1 0 497.441 4.339 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1CC[NH+](C2CC2)CC1 ZINC001300283794 1068078619 /nfs/dbraw/zinc/07/86/19/1068078619.db2.gz OYSUDEIMJJROHM-MRXNPFEDSA-N 1 0 472.431 4.049 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001300283646 1068078784 /nfs/dbraw/zinc/07/87/84/1068078784.db2.gz WBNGKUYHLRTREK-HUUCEWRRSA-N 1 0 462.823 4.303 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CC[NH+](CCC)CC1 ZINC001300287331 1068087910 /nfs/dbraw/zinc/08/79/10/1068087910.db2.gz YRUVATNAIDOVEP-MRXNPFEDSA-N 1 0 462.411 4.427 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300299156 1068136675 /nfs/dbraw/zinc/13/66/75/1068136675.db2.gz LTPANGDYJFFTDN-VSKRKVRLSA-N 1 0 459.642 4.345 20 30 JIEDRO 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 ZINC001300299149 1068136991 /nfs/dbraw/zinc/13/69/91/1068136991.db2.gz LTPANGDYJFFTDN-BDTNDASRSA-N 1 0 459.642 4.345 20 30 JIEDRO CSc1cccc(N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C2CC[NH+](C)CC2)c1 ZINC001353443729 1068138141 /nfs/dbraw/zinc/13/81/41/1068138141.db2.gz NGIKAHCGQNNIJN-IBGZPJMESA-N 1 0 452.599 4.373 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)NCC3([NH+]4CCSCC4)CCCC3)s2)cc1 ZINC000510240283 1068164091 /nfs/dbraw/zinc/16/40/91/1068164091.db2.gz VNDPLBLGWCFDLY-UHFFFAOYSA-N 1 0 474.681 4.185 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCCC[C@H]2CC)c1 ZINC001300331672 1068277511 /nfs/dbraw/zinc/27/75/11/1068277511.db2.gz OESDWLRZOVYACQ-HSZRJFAPSA-N 1 0 474.609 4.167 20 30 JIEDRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C#N)[NH+]2CCCC2)c1 ZINC001300334933 1068303932 /nfs/dbraw/zinc/30/39/32/1068303932.db2.gz KWSNELPEGIOZMK-YADARESESA-N 1 0 459.598 4.090 20 30 JIEDRO C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001300340967 1068325230 /nfs/dbraw/zinc/32/52/30/1068325230.db2.gz AKVPUJIQFKCOTR-LJQANCHMSA-N 1 0 486.458 4.201 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300347664 1068349681 /nfs/dbraw/zinc/34/96/81/1068349681.db2.gz GIEHCXWUPYAPNE-UHFFFAOYSA-N 1 0 450.450 4.493 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001358871801 1068366028 /nfs/dbraw/zinc/36/60/28/1068366028.db2.gz KPYIRDGVNZWFBV-SFTDATJTSA-N 1 0 483.632 4.439 20 30 JIEDRO C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001300354041 1068371282 /nfs/dbraw/zinc/37/12/82/1068371282.db2.gz VHPUFNGQNGFQNB-FGZHOGPDSA-N 1 0 469.077 4.397 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001358877456 1068375158 /nfs/dbraw/zinc/37/51/58/1068375158.db2.gz FGRUKJXUHYPNQJ-GVDBMIGSSA-N 1 0 494.865 4.318 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001358877412 1068375359 /nfs/dbraw/zinc/37/53/59/1068375359.db2.gz DGWFTUIIJQHKIL-INIZCTEOSA-N 1 0 470.440 4.285 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001358879430 1068378241 /nfs/dbraw/zinc/37/82/41/1068378241.db2.gz QZPKGBFTDCAZLC-CLOONOSVSA-N 1 0 465.623 4.012 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358888158 1068385037 /nfs/dbraw/zinc/38/50/37/1068385037.db2.gz IDDJSDDKLAHAFN-AZUAARDMSA-N 1 0 486.686 4.215 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001358897978 1068392769 /nfs/dbraw/zinc/39/27/69/1068392769.db2.gz JWPZPIPORMVOPW-VFNWGFHPSA-N 1 0 468.454 4.059 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358899675 1068396577 /nfs/dbraw/zinc/39/65/77/1068396577.db2.gz RUWAWLUCKJZFQT-QRVBRYPASA-N 1 0 462.063 4.181 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001358901784 1068402753 /nfs/dbraw/zinc/40/27/53/1068402753.db2.gz WSGPESPPKSGUCR-NQIIRXRSSA-N 1 0 464.639 4.212 20 30 JIEDRO C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001358903561 1068408078 /nfs/dbraw/zinc/40/80/78/1068408078.db2.gz BHAATKQQBFWPMX-QHCPKHFHSA-N 1 0 462.642 4.263 20 30 JIEDRO C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001358905438 1068413063 /nfs/dbraw/zinc/41/30/63/1068413063.db2.gz ZQEKWFKSGLXHNB-UIOOFZCWSA-N 1 0 462.686 4.228 20 30 JIEDRO C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001300371929 1068428663 /nfs/dbraw/zinc/42/86/63/1068428663.db2.gz KRSPKBJMAFZOFB-OAQYLSRUSA-N 1 0 486.458 4.488 20 30 JIEDRO C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001358919584 1068453260 /nfs/dbraw/zinc/45/32/60/1068453260.db2.gz FTTMYPRNBJZZFF-UHFFFAOYSA-N 1 0 497.087 4.367 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358941113 1068492852 /nfs/dbraw/zinc/49/28/52/1068492852.db2.gz YROJSWJEVMFKAA-QGZVFWFLSA-N 1 0 455.404 4.016 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001358942236 1068494110 /nfs/dbraw/zinc/49/41/10/1068494110.db2.gz NQUJMBBVKOVAEH-UHFFFAOYSA-N 1 0 494.865 4.320 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001358942066 1068494642 /nfs/dbraw/zinc/49/46/42/1068494642.db2.gz IBSXONVJZLKTSO-UHFFFAOYSA-N 1 0 488.455 4.022 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001358947730 1068500419 /nfs/dbraw/zinc/50/04/19/1068500419.db2.gz JUWMAQFCAOIBNC-VXKWHMMOSA-N 1 0 496.656 4.282 20 30 JIEDRO 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C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001358988600 1068547817 /nfs/dbraw/zinc/54/78/17/1068547817.db2.gz WEUSHBNKASCCCW-UHFFFAOYSA-N 1 0 459.594 4.044 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358989614 1068550674 /nfs/dbraw/zinc/55/06/74/1068550674.db2.gz JJPVUEYGAODJLU-UHFFFAOYSA-N 1 0 477.678 4.168 20 30 JIEDRO C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001300400400 1068553393 /nfs/dbraw/zinc/55/33/93/1068553393.db2.gz WDMIXHVFENAWHH-UHFFFAOYSA-N 1 0 455.050 4.007 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358990463 1068553930 /nfs/dbraw/zinc/55/39/30/1068553930.db2.gz OYRZGKJUYABCOW-UHFFFAOYSA-N 1 0 477.678 4.168 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358995358 1068558944 /nfs/dbraw/zinc/55/89/44/1068558944.db2.gz NXKFVDFHHYEYFR-UHFFFAOYSA-N 1 0 475.706 4.392 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358996494 1068560787 /nfs/dbraw/zinc/56/07/87/1068560787.db2.gz HNHNYDAUUDEDFB-VWLOTQADSA-N 1 0 459.638 4.160 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358997738 1068564188 /nfs/dbraw/zinc/56/41/88/1068564188.db2.gz CNCYHZLAUXIHIX-DEOSSOPVSA-N 1 0 484.629 4.090 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358998039 1068565375 /nfs/dbraw/zinc/56/53/75/1068565375.db2.gz NSYPUVNIWRRVJU-RUZDIDTESA-N 1 0 459.638 4.426 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359002926 1068575306 /nfs/dbraw/zinc/57/53/06/1068575306.db2.gz RVLHTDFAOZAEBI-IRXDYDNUSA-N 1 0 462.411 4.427 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC1([NH+](C)C)CCC1 ZINC001359003588 1068578214 /nfs/dbraw/zinc/57/82/14/1068578214.db2.gz QCCTYHFKNQQSKQ-UHFFFAOYSA-N 1 0 450.812 4.305 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359004552 1068579168 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HPPQEVNBZGQCTB-GOSISDBHSA-N 1 0 475.609 4.224 20 30 JIEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001300430599 1068679127 /nfs/dbraw/zinc/67/91/27/1068679127.db2.gz OMPZTGRIKMFYKQ-OAQYLSRUSA-N 1 0 486.060 4.424 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001359065964 1068710910 /nfs/dbraw/zinc/71/09/10/1068710910.db2.gz JFAONOBTXNMTMY-LJQANCHMSA-N 1 0 487.368 4.302 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001359066528 1068713015 /nfs/dbraw/zinc/71/30/15/1068713015.db2.gz FHLQTDRIYGPFQJ-MHECFPHRSA-N 1 0 475.468 4.270 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001359066919 1068714671 /nfs/dbraw/zinc/71/46/71/1068714671.db2.gz UXGHLVVMXNIHTB-NBGIEHNGSA-N 1 0 450.587 4.358 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359067089 1068715249 /nfs/dbraw/zinc/71/52/49/1068715249.db2.gz AHTBKVNHSUGMPB-HHHXNRCGSA-N 1 0 465.642 4.467 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001359071685 1068723378 /nfs/dbraw/zinc/72/33/78/1068723378.db2.gz ZDDDMHSJWKYHHP-RPLLCQBOSA-N 1 0 467.633 4.137 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359074290 1068729911 /nfs/dbraw/zinc/72/99/11/1068729911.db2.gz XUIIEQSNRFPLGI-LZYPDUGYSA-N 1 0 453.606 4.499 20 30 JIEDRO C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001359079944 1068749072 /nfs/dbraw/zinc/74/90/72/1068749072.db2.gz APKMGCIPDIQUSW-UHFFFAOYSA-N 1 0 499.457 4.054 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359080284 1068750020 /nfs/dbraw/zinc/75/00/20/1068750020.db2.gz MIHBENVHKKCSAJ-UHFFFAOYSA-N 1 0 455.404 4.180 20 30 JIEDRO C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001359086211 1068767244 /nfs/dbraw/zinc/76/72/44/1068767244.db2.gz OBRQLIAGHLTZND-UHFFFAOYSA-N 1 0 487.490 4.178 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359091435 1068786001 /nfs/dbraw/zinc/78/60/01/1068786001.db2.gz NHRFOBAKJLQGAS-QTEQDKRBSA-N 1 0 471.621 4.459 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001300458885 1068787492 /nfs/dbraw/zinc/78/74/92/1068787492.db2.gz NINBMBBICQZFBV-NRFANRHFSA-N 1 0 472.678 4.117 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359095781 1068800459 /nfs/dbraw/zinc/80/04/59/1068800459.db2.gz RRURGHFBIZKLEQ-CJFMBICVSA-N 1 0 483.657 4.254 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359105165 1068813759 /nfs/dbraw/zinc/81/37/59/1068813759.db2.gz KTVWICWHIXVIIU-PXDATVDWSA-N 1 0 485.698 4.481 20 30 JIEDRO C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300471510 1068813725 /nfs/dbraw/zinc/81/37/25/1068813725.db2.gz FGLDNWVFASRRPQ-QFIPXVFZSA-N 1 0 458.050 4.441 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001300473020 1068816925 /nfs/dbraw/zinc/81/69/25/1068816925.db2.gz MQAIKYPJKNEVQU-LJQANCHMSA-N 1 0 474.447 4.344 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359109362 1068819854 /nfs/dbraw/zinc/81/98/54/1068819854.db2.gz YGUCJEZRBVCDPD-JOCHJYFZSA-N 1 0 450.052 4.447 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@@H+]1CC ZINC001359111475 1068821561 /nfs/dbraw/zinc/82/15/61/1068821561.db2.gz CDLZIHKWQHJMQS-FQEVSTJZSA-N 1 0 463.630 4.123 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359113512 1068823094 /nfs/dbraw/zinc/82/30/94/1068823094.db2.gz KNQIGLOSYGRBRC-VXKWHMMOSA-N 1 0 490.693 4.111 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300475997 1068824975 /nfs/dbraw/zinc/82/49/75/1068824975.db2.gz UULGJEKZRNGLPS-MBSDFSHPSA-N 1 0 453.587 4.210 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300476225 1068825672 /nfs/dbraw/zinc/82/56/72/1068825672.db2.gz ZGFWILLWAOOAPG-CYFREDJKSA-N 1 0 465.623 4.080 20 30 JIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001359124132 1068834694 /nfs/dbraw/zinc/83/46/94/1068834694.db2.gz KGXFGWPTJXHFIM-HSZRJFAPSA-N 1 0 467.658 4.414 20 30 JIEDRO C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001359128272 1068839209 /nfs/dbraw/zinc/83/92/09/1068839209.db2.gz OYPPEXIAXJODIZ-QFIPXVFZSA-N 1 0 482.629 4.394 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359128703 1068839793 /nfs/dbraw/zinc/83/97/93/1068839793.db2.gz CYBQSAZCAZOYDH-XUZZJYLKSA-N 1 0 498.075 4.444 20 30 JIEDRO C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359136959 1068847035 /nfs/dbraw/zinc/84/70/35/1068847035.db2.gz ACPNHFSTGCTENR-VXKWHMMOSA-N 1 0 488.677 4.007 20 30 JIEDRO C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359142788 1068852557 /nfs/dbraw/zinc/85/25/57/1068852557.db2.gz OILSVYYEFILPTQ-FQEVSTJZSA-N 1 0 491.055 4.305 20 30 JIEDRO C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359151427 1068862340 /nfs/dbraw/zinc/86/23/40/1068862340.db2.gz UEPSXHVGNOCAFN-HXUWFJFHSA-N 1 0 493.096 4.457 20 30 JIEDRO C=C(Cl)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001359154369 1068864351 /nfs/dbraw/zinc/86/43/51/1068864351.db2.gz MXUXRUYBRLGWHE-XMMPIXPASA-N 1 0 487.092 4.181 20 30 JIEDRO C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001359158242 1068869906 /nfs/dbraw/zinc/86/99/06/1068869906.db2.gz KNWHNNDBUHXFAR-UHFFFAOYSA-N 1 0 480.657 4.193 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359168693 1068879280 /nfs/dbraw/zinc/87/92/80/1068879280.db2.gz FJXBMVDCUUTQBQ-SZPZYZBQSA-N 1 0 453.631 4.390 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001359169205 1068880107 /nfs/dbraw/zinc/88/01/07/1068880107.db2.gz XXGHEJVCICRPQO-QHCPKHFHSA-N 1 0 471.621 4.290 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359175771 1068888920 /nfs/dbraw/zinc/88/89/20/1068888920.db2.gz YTYWWIQMKNNBPK-IBVKSMDESA-N 1 0 485.698 4.262 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300513604 1068894451 /nfs/dbraw/zinc/89/44/51/1068894451.db2.gz ZUKXWOCDUXLHTJ-HXUWFJFHSA-N 1 0 454.018 4.409 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300519949 1068908797 /nfs/dbraw/zinc/90/87/97/1068908797.db2.gz BIHWJIVDVBVZBB-AZUAARDMSA-N 1 0 468.443 4.209 20 30 JIEDRO C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001359192060 1068941197 /nfs/dbraw/zinc/94/11/97/1068941197.db2.gz UZUOMCCSJNHAMB-QHCPKHFHSA-N 1 0 467.658 4.235 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359192565 1068947155 /nfs/dbraw/zinc/94/71/55/1068947155.db2.gz ISLQVGNZLJQGLS-DHIUTWEWSA-N 1 0 473.706 4.348 20 30 JIEDRO C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001300541257 1068973576 /nfs/dbraw/zinc/97/35/76/1068973576.db2.gz ONPYZJKDCGIIQT-XUZZJYLKSA-N 1 0 472.662 4.007 20 30 JIEDRO C=CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001359205726 1068983714 /nfs/dbraw/zinc/98/37/14/1068983714.db2.gz IFIALDRTEYOSIZ-PSWAGMNNSA-N 1 0 450.675 4.481 20 30 JIEDRO C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359206103 1068984946 /nfs/dbraw/zinc/98/49/46/1068984946.db2.gz UNZDPTDHFWKDFM-HXUWFJFHSA-N 1 0 457.594 4.042 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300548594 1068992590 /nfs/dbraw/zinc/99/25/90/1068992590.db2.gz LUECMCCWNXBWOJ-NRFANRHFSA-N 1 0 498.450 4.057 20 30 JIEDRO C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359222968 1069012157 /nfs/dbraw/zinc/01/21/57/1069012157.db2.gz XETDWCFMNLRMIO-IRXDYDNUSA-N 1 0 480.426 4.358 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001359234059 1069032051 /nfs/dbraw/zinc/03/20/51/1069032051.db2.gz BHFCOLRWBSRVCU-NRFANRHFSA-N 1 0 476.463 4.467 20 30 JIEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359238140 1069038854 /nfs/dbraw/zinc/03/88/54/1069038854.db2.gz AGYFRMCBRATAFG-BGYRXZFFSA-N 1 0 477.657 4.054 20 30 JIEDRO 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 1069040042 /nfs/dbraw/zinc/04/00/42/1069040042.db2.gz RWKUXBFEENFNTP-YADHBBJMSA-N 1 0 474.694 4.383 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300564072 1069044746 /nfs/dbraw/zinc/04/47/46/1069044746.db2.gz SKNLYKOSUGMFTI-VXKWHMMOSA-N 1 0 462.598 4.074 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001300571355 1069079416 /nfs/dbraw/zinc/07/94/16/1069079416.db2.gz CMEMYRMVHWTXST-QHCPKHFHSA-N 1 0 454.622 4.468 20 30 JIEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849503875 1069083201 /nfs/dbraw/zinc/08/32/01/1069083201.db2.gz MFJYDRJGTDQQAJ-KAYWLYCHSA-N 1 0 473.596 4.474 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300572633 1069084369 /nfs/dbraw/zinc/08/43/69/1069084369.db2.gz YRLOVWXXVSRIQN-HSZRJFAPSA-N 1 0 454.622 4.324 20 30 JIEDRO C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC001359247799 1069094054 /nfs/dbraw/zinc/09/40/54/1069094054.db2.gz PODVILRTRKPSGA-QHCPKHFHSA-N 1 0 471.671 4.014 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516577 1069102729 /nfs/dbraw/zinc/10/27/29/1069102729.db2.gz KORGQIODDHKQGR-VJGNERBWSA-N 1 0 471.605 4.194 20 30 JIEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520278 1069111578 /nfs/dbraw/zinc/11/15/78/1069111578.db2.gz NAIMWIZMAKYWHA-FTJBHMTQSA-N 1 0 457.578 4.323 20 30 JIEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 ZINC000849520979 1069112484 /nfs/dbraw/zinc/11/24/84/1069112484.db2.gz PGSMZEGWQDLSKU-FGZHOGPDSA-N 1 0 463.969 4.198 20 30 JIEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 ZINC000849520981 1069112935 /nfs/dbraw/zinc/11/29/35/1069112935.db2.gz PGSMZEGWQDLSKU-YADHBBJMSA-N 1 0 463.969 4.198 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCC[NH+]1CCC(C)CC1 ZINC001300584649 1069129292 /nfs/dbraw/zinc/12/92/92/1069129292.db2.gz ZOYUVCUSWJRZJX-UHFFFAOYSA-N 1 0 453.581 4.122 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300590468 1069149977 /nfs/dbraw/zinc/14/99/77/1069149977.db2.gz BFBGKKHJSBNDIU-XMMPIXPASA-N 1 0 461.654 4.484 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001300595235 1069169835 /nfs/dbraw/zinc/16/98/35/1069169835.db2.gz JPTMIVKPSIAUJX-FQEVSTJZSA-N 1 0 456.059 4.419 20 30 JIEDRO C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[N@H+](C)C1CCCCC1 ZINC001300598023 1069178209 /nfs/dbraw/zinc/17/82/09/1069178209.db2.gz YTYIABGVWMBICP-UHFFFAOYSA-N 1 0 450.631 4.261 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001300601273 1069189017 /nfs/dbraw/zinc/18/90/17/1069189017.db2.gz FHQGUPDQEAGEGZ-HXUWFJFHSA-N 1 0 462.573 4.328 20 30 JIEDRO C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001300602233 1069189738 /nfs/dbraw/zinc/18/97/38/1069189738.db2.gz AYJKRUAIMYHILU-GOSISDBHSA-N 1 0 471.074 4.299 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC1CC[NH+](CC)CC1 ZINC001300604959 1069196602 /nfs/dbraw/zinc/19/66/02/1069196602.db2.gz QYWOPGYQMZZHAX-UHFFFAOYSA-N 1 0 462.411 4.428 20 30 JIEDRO C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001359253676 1069206757 /nfs/dbraw/zinc/20/67/57/1069206757.db2.gz PPPPPHPBHZWMED-NSHGMRRFSA-N 1 0 470.618 4.100 20 30 JIEDRO C=CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001359253481 1069206839 /nfs/dbraw/zinc/20/68/39/1069206839.db2.gz HTQLOKIAPHEHQN-SFTDATJTSA-N 1 0 453.631 4.208 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300608813 1069208546 /nfs/dbraw/zinc/20/85/46/1069208546.db2.gz GDCBEMWAZYTUPH-GOSISDBHSA-N 1 0 474.447 4.296 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300620283 1069242356 /nfs/dbraw/zinc/24/23/56/1069242356.db2.gz GDSUYQNDVLOQKT-UHFFFAOYSA-N 1 0 459.642 4.348 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359257193 1069258549 /nfs/dbraw/zinc/25/85/49/1069258549.db2.gz CADUSBGSDKPZHG-UHFFFAOYSA-N 1 0 486.668 4.469 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)[C@H](c2cnn(C)c2)C1 ZINC000849602867 1069260430 /nfs/dbraw/zinc/26/04/30/1069260430.db2.gz BLMFFOHWDXJTAQ-HSQYWUDLSA-N 1 0 461.532 4.194 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCCC1 ZINC001359259585 1069277436 /nfs/dbraw/zinc/27/74/36/1069277436.db2.gz AUUCUNRQPLUEEA-UHFFFAOYSA-N 1 0 487.421 4.474 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300631472 1069279198 /nfs/dbraw/zinc/27/91/98/1069279198.db2.gz QUURZEQNTQWQRK-MZKRTTBSSA-N 1 0 451.615 4.007 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001359260258 1069281274 /nfs/dbraw/zinc/28/12/74/1069281274.db2.gz YIMXITFSCAJIQV-NRFANRHFSA-N 1 0 477.588 4.132 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300637648 1069294028 /nfs/dbraw/zinc/29/40/28/1069294028.db2.gz REVIYXUYRBZSSM-FNZWTVRRSA-N 1 0 466.630 4.116 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300637650 1069294321 /nfs/dbraw/zinc/29/43/21/1069294321.db2.gz REVIYXUYRBZSSM-IBVKSMDESA-N 1 0 466.630 4.116 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CCC(O)(c2ccccc2Cl)CC1)C(C)C ZINC001359264704 1069296304 /nfs/dbraw/zinc/29/63/04/1069296304.db2.gz MXIJAVAZJPRRQT-HSZRJFAPSA-N 1 0 458.050 4.427 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C ZINC001359264615 1069296719 /nfs/dbraw/zinc/29/67/19/1069296719.db2.gz JTNXZQUHVNMCDL-SQJMNOBHSA-N 1 0 471.049 4.309 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)C(C)C ZINC001359265235 1069299852 /nfs/dbraw/zinc/29/98/52/1069299852.db2.gz BNOMFLQNCVQCSY-TWDDROGUSA-N 1 0 451.663 4.392 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C ZINC001359265487 1069300356 /nfs/dbraw/zinc/30/03/56/1069300356.db2.gz GWNHQFFAKDNXEQ-HXUWFJFHSA-N 1 0 462.429 4.333 20 30 JIEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC2)CC1 ZINC001164616352 719027284 /nfs/dbraw/zinc/02/72/84/719027284.db2.gz BOBUKGIBRFZRTR-UHFFFAOYSA-N 1 0 471.964 4.052 20 30 JIEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC2)CC1 ZINC001164616459 719035502 /nfs/dbraw/zinc/03/55/02/719035502.db2.gz CPKNUSGWJVXWTP-UHFFFAOYSA-N 1 0 469.973 4.038 20 30 JIEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)C2)n1 ZINC001164665812 719358594 /nfs/dbraw/zinc/35/85/94/719358594.db2.gz YYLQEWIQUGKRKD-SSEXGKCCSA-N 1 0 494.643 4.030 20 30 JIEDRO COc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C#N)c(Cl)n1 ZINC001164698309 719894763 /nfs/dbraw/zinc/89/47/63/719894763.db2.gz RMFHBJGDLYPNDG-UHFFFAOYSA-N 1 0 468.957 4.093 20 30 JIEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)C1 ZINC001164736553 720536260 /nfs/dbraw/zinc/53/62/60/720536260.db2.gz ZKKKCVBJMYPGQL-CYBMUJFWSA-N 1 0 465.335 4.353 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4cc(F)ccc4c(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842798 720647114 /nfs/dbraw/zinc/64/71/14/720647114.db2.gz UHQQDEGAXBWFFP-SGXKBVARSA-N 1 0 452.965 4.473 20 30 JIEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755500 720875143 /nfs/dbraw/zinc/87/51/43/720875143.db2.gz YAKSTBOVRUCRMY-HYBUGGRVSA-N 1 0 487.982 4.302 20 30 JIEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)CC[C@H]2C1 ZINC001164854862 720889459 /nfs/dbraw/zinc/88/94/59/720889459.db2.gz FTIJMJIYAATJMQ-IGKIAQTJSA-N 1 0 468.601 4.461 20 30 JIEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751676 720890316 /nfs/dbraw/zinc/89/03/16/720890316.db2.gz DBRWFNLTWMFZHF-GBXCKJPGSA-N 1 0 472.420 4.410 20 30 JIEDRO N#Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164755163 720928714 /nfs/dbraw/zinc/92/87/14/720928714.db2.gz ZFWXRPYNLVXZGP-YADARESESA-N 1 0 472.420 4.410 20 30 JIEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748065 720933423 /nfs/dbraw/zinc/93/34/23/720933423.db2.gz FLFVQIHGDIZSGT-YADARESESA-N 1 0 472.420 4.410 20 30 JIEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccc4)c(-c4ccccc4)cc2C#N)CC3)CC1 ZINC001164794788 721522016 /nfs/dbraw/zinc/52/20/16/721522016.db2.gz HSAWVDNOCPOOCI-UHFFFAOYSA-N 1 0 489.627 4.251 20 30 JIEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966632 722062383 /nfs/dbraw/zinc/06/23/83/722062383.db2.gz WFSRUMKEHSCJDV-UHFFFAOYSA-N 1 0 465.960 4.413 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164975307 722159543 /nfs/dbraw/zinc/15/95/43/722159543.db2.gz SAGFKXAPFBFJPM-XMSQKQJNSA-N 1 0 465.960 4.330 20 30 JIEDRO C=CCN(CC=C)c1nnc(Cc2ccccn2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359273290 1069310776 /nfs/dbraw/zinc/31/07/76/1069310776.db2.gz VLULNFFROBJPDP-UHFFFAOYSA-N 1 0 452.672 4.194 20 30 JIEDRO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359277584 1069316276 /nfs/dbraw/zinc/31/62/76/1069316276.db2.gz QDYRYEGZLSEYHB-XPNTWCBSSA-N 1 0 471.646 4.236 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001359278600 1069318058 /nfs/dbraw/zinc/31/80/58/1069318058.db2.gz AAOBNUSZHLFIOP-QGZVFWFLSA-N 1 0 480.476 4.425 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359279178 1069319200 /nfs/dbraw/zinc/31/92/00/1069319200.db2.gz WNMGUCLXQFEZAO-LJQANCHMSA-N 1 0 476.463 4.467 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300649368 1069328595 /nfs/dbraw/zinc/32/85/95/1069328595.db2.gz VFMVFKDJORVMMY-QNWVGRARSA-N 1 0 453.606 4.071 20 30 JIEDRO C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001359284824 1069328832 /nfs/dbraw/zinc/32/88/32/1069328832.db2.gz PMIFVSVJAMGQRF-UHFFFAOYSA-N 1 0 468.827 4.094 20 30 JIEDRO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359289631 1069337584 /nfs/dbraw/zinc/33/75/84/1069337584.db2.gz XTBCPPALJCUMKQ-UHFFFAOYSA-N 1 0 480.701 4.470 20 30 JIEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359290392 1069338818 /nfs/dbraw/zinc/33/88/18/1069338818.db2.gz YYJZDFVZRROHPY-BGYRXZFFSA-N 1 0 471.671 4.091 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+](C)C1CCCC1 ZINC001300656233 1069351256 /nfs/dbraw/zinc/35/12/56/1069351256.db2.gz BTLHVPCZPNZWIX-IBGZPJMESA-N 1 0 455.672 4.092 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359312999 1069357834 /nfs/dbraw/zinc/35/78/34/1069357834.db2.gz FHWWBQNIZZXUST-ZEQRLZLVSA-N 1 0 497.684 4.052 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001359314966 1069363172 /nfs/dbraw/zinc/36/31/72/1069363172.db2.gz LILIMJFKEJDUHK-NRFANRHFSA-N 1 0 499.457 4.317 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359315866 1069366382 /nfs/dbraw/zinc/36/63/82/1069366382.db2.gz DBVGDKPRVMBMDN-LEWJYISDSA-N 1 0 459.038 4.285 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359322818 1069374147 /nfs/dbraw/zinc/37/41/47/1069374147.db2.gz CHQSTFQMPFHJRS-DQEYMECFSA-N 1 0 451.659 4.469 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001359323802 1069376582 /nfs/dbraw/zinc/37/65/82/1069376582.db2.gz XNHZVTSDGBCBAQ-HSZRJFAPSA-N 1 0 458.050 4.426 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc3cccnc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300664850 1069384680 /nfs/dbraw/zinc/38/46/80/1069384680.db2.gz FXIUZMKHCIMYCR-JIPXPUAJSA-N 1 0 460.626 4.090 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc3cccnc32)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300664846 1069384772 /nfs/dbraw/zinc/38/47/72/1069384772.db2.gz FXIUZMKHCIMYCR-IDISGSTGSA-N 1 0 460.626 4.090 20 30 JIEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359328523 1069387519 /nfs/dbraw/zinc/38/75/19/1069387519.db2.gz GVIOXYIPCUVSEF-VWNXMTODSA-N 1 0 499.725 4.199 20 30 JIEDRO C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359337922 1069396620 /nfs/dbraw/zinc/39/66/20/1069396620.db2.gz GCVBQMJDIFHFPN-IBGZPJMESA-N 1 0 462.461 4.301 20 30 JIEDRO C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359341377 1069405206 /nfs/dbraw/zinc/40/52/06/1069405206.db2.gz VKNNEGDJDJTQIV-OFNKIYASSA-N 1 0 465.671 4.087 20 30 JIEDRO C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001359344814 1069412122 /nfs/dbraw/zinc/41/21/22/1069412122.db2.gz JRBNLBGFGIEDQZ-UHFFFAOYSA-N 1 0 454.688 4.276 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001300673422 1069414955 /nfs/dbraw/zinc/41/49/55/1069414955.db2.gz ZLRTUXKGKABRSU-LJQANCHMSA-N 1 0 454.644 4.193 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001359411143 1069525229 /nfs/dbraw/zinc/52/52/29/1069525229.db2.gz CAASOMWAYGTSAD-GMUMFXLYSA-N 1 0 491.684 4.068 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359411355 1069526626 /nfs/dbraw/zinc/52/66/26/1069526626.db2.gz JPMGVNVXNXSAPV-JGSRLKPESA-N 1 0 491.684 4.068 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359468682 1069612468 /nfs/dbraw/zinc/61/24/68/1069612468.db2.gz PPHUOEVQRUEKOO-NRFANRHFSA-N 1 0 465.690 4.112 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359469004 1069613488 /nfs/dbraw/zinc/61/34/88/1069613488.db2.gz VWEGXHKEOZTRLF-AWEZNQCLSA-N 1 0 491.484 4.485 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359475523 1069628947 /nfs/dbraw/zinc/62/89/47/1069628947.db2.gz MGDKQVJMQWWMKK-SFTDATJTSA-N 1 0 470.625 4.242 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359476373 1069631316 /nfs/dbraw/zinc/63/13/16/1069631316.db2.gz CMLRNEAPQNQKNJ-COPCDDAFSA-N 1 0 499.635 4.388 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359476796 1069633878 /nfs/dbraw/zinc/63/38/78/1069633878.db2.gz LHCHBZWMTYNETA-DENIHFKCSA-N 1 0 466.561 4.412 20 30 JIEDRO CC(C)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359644549 1070187525 /nfs/dbraw/zinc/18/75/25/1070187525.db2.gz QHBUEAWPGAWOIC-UHFFFAOYSA-N 1 0 458.614 4.001 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001315525237 1064500076 /nfs/dbraw/zinc/50/00/76/1064500076.db2.gz XRNBJYBACRKMDP-IFMALSPDSA-N 1 0 466.630 4.401 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315624654 1064764887 /nfs/dbraw/zinc/76/48/87/1064764887.db2.gz JIFPLZPLOBQECQ-AREMUKBSSA-N 1 0 450.631 4.130 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001315627922 1064773645 /nfs/dbraw/zinc/77/36/45/1064773645.db2.gz QUHFTZKBVMLTGN-AREMUKBSSA-N 1 0 450.631 4.272 20 30 JIEDRO COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001315845033 1065234373 /nfs/dbraw/zinc/23/43/73/1065234373.db2.gz VLYZFSRFHOMOHO-UHFFFAOYSA-N 1 0 450.631 4.192 20 30 JIEDRO COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001315886275 1065334422 /nfs/dbraw/zinc/33/44/22/1065334422.db2.gz DEKLSXKZEGNSTJ-QHCPKHFHSA-N 1 0 480.657 4.246 20 30 JIEDRO COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001315961061 1065514419 /nfs/dbraw/zinc/51/44/19/1065514419.db2.gz AJFWGUHOXOBWFG-UHFFFAOYSA-N 1 0 480.657 4.246 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2sc3ccccc3c2Cl)n1CC[NH+]1CCCC1 ZINC001316099832 1065766044 /nfs/dbraw/zinc/76/60/44/1065766044.db2.gz MNCDCXQEJPJUNI-UHFFFAOYSA-N 1 0 459.019 4.275 20 30 JIEDRO N#CC1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001316535244 1066556465 /nfs/dbraw/zinc/55/64/65/1066556465.db2.gz HDLRECSSXYLJNM-UHFFFAOYSA-N 1 0 487.446 4.236 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300681745 1067015699 /nfs/dbraw/zinc/01/56/99/1067015699.db2.gz AEOODGUMKVMRBD-XPWALMASSA-N 1 0 496.675 4.069 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300681746 1067015894 /nfs/dbraw/zinc/01/58/94/1067015894.db2.gz AEOODGUMKVMRBD-ZLNRFVROSA-N 1 0 496.675 4.069 20 30 JIEDRO CCOC(=O)c1c(NC(=O)Cc2cccc(OCC#N)c2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC001351068700 1067040505 /nfs/dbraw/zinc/04/05/05/1067040505.db2.gz USIZNIJIRVFLJD-UHFFFAOYSA-N 1 0 455.580 4.168 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001300747012 1067259357 /nfs/dbraw/zinc/25/93/57/1067259357.db2.gz WKZBWPLQANYNSB-OAQYLSRUSA-N 1 0 467.042 4.071 20 30 JIEDRO CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300771298 1067319433 /nfs/dbraw/zinc/31/94/33/1067319433.db2.gz AOUUUZADWZIFFE-RUZDIDTESA-N 1 0 480.657 4.102 20 30 JIEDRO C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300776558 1067330236 /nfs/dbraw/zinc/33/02/36/1067330236.db2.gz MDMPYLRRLZHZBB-UHFFFAOYSA-N 1 0 468.454 4.061 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300779085 1067334606 /nfs/dbraw/zinc/33/46/06/1067334606.db2.gz ONQCVEFYFMUWDI-IATMXGELSA-N 1 0 482.698 4.333 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001300782015 1067337898 /nfs/dbraw/zinc/33/78/98/1067337898.db2.gz GBWMLNZWQPXRSY-UHFFFAOYSA-N 1 0 490.574 4.485 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300789415 1067357698 /nfs/dbraw/zinc/35/76/98/1067357698.db2.gz LNFZFJZFDTWBQU-WMZHIEFXSA-N 1 0 450.568 4.210 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300029293 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1068257795 /nfs/dbraw/zinc/25/77/95/1068257795.db2.gz BUAMDFJVHYIMHH-JFTIXFDTSA-N 1 0 494.684 4.372 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300329057 1068263547 /nfs/dbraw/zinc/26/35/47/1068263547.db2.gz NUJRANXGBWXJEN-MFKCLSPESA-N 1 0 486.705 4.265 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001300332173 1068279862 /nfs/dbraw/zinc/27/98/62/1068279862.db2.gz ZBTJYUIIUGIGAR-OAQYLSRUSA-N 1 0 450.631 4.112 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358876992 1068374624 /nfs/dbraw/zinc/37/46/24/1068374624.db2.gz UZYZLYGUXPMSMT-GOSISDBHSA-N 1 0 475.609 4.366 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358877198 1068375284 /nfs/dbraw/zinc/37/52/84/1068375284.db2.gz YSJDLMODDLCOJO-KRWDZBQOSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358877199 1068375454 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PSBXJIBNYZMCNU-UHFFFAOYSA-N 1 0 492.712 4.272 20 30 JIEDRO C#CCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001358918174 1068451020 /nfs/dbraw/zinc/45/10/20/1068451020.db2.gz MRIUURKDFFRSPS-SZPZYZBQSA-N 1 0 484.689 4.307 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358943402 1068495945 /nfs/dbraw/zinc/49/59/45/1068495945.db2.gz HULXMQOFKFBJSV-SFTDATJTSA-N 1 0 453.631 4.178 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001358972206 1068516617 /nfs/dbraw/zinc/51/66/17/1068516617.db2.gz XPQNINHURDWYPX-GOSISDBHSA-N 1 0 472.406 4.040 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001358972791 1068519050 /nfs/dbraw/zinc/51/90/50/1068519050.db2.gz SZCQQEXSKKHYEG-GOSISDBHSA-N 1 0 486.414 4.284 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001358972883 1068519937 /nfs/dbraw/zinc/51/99/37/1068519937.db2.gz 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JIEDRO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001358985745 1068535573 /nfs/dbraw/zinc/53/55/73/1068535573.db2.gz GPOHZMGXFUNTBH-NHCUHLMSSA-N 1 0 454.018 4.266 20 30 JIEDRO C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001300398903 1068547663 /nfs/dbraw/zinc/54/76/63/1068547663.db2.gz CVJVGNQIUASOAG-SFTDATJTSA-N 1 0 499.501 4.116 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001358988813 1068548400 /nfs/dbraw/zinc/54/84/00/1068548400.db2.gz DPIWFLYEGRIZAH-UHFFFAOYSA-N 1 0 450.011 4.181 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001358989162 1068550174 /nfs/dbraw/zinc/55/01/74/1068550174.db2.gz RRSRCBUUBLMIPW-NRFANRHFSA-N 1 0 462.985 4.277 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001358993464 1068557116 /nfs/dbraw/zinc/55/71/16/1068557116.db2.gz NQYCYMAYYVJZPM-ZEQRLZLVSA-N 1 0 496.700 4.120 20 30 JIEDRO 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C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359232849 1069029592 /nfs/dbraw/zinc/02/95/92/1069029592.db2.gz HICZQMXBFWKRLM-VWLOTQADSA-N 1 0 450.656 4.412 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300561299 1069031785 /nfs/dbraw/zinc/03/17/85/1069031785.db2.gz NFVKPOIXNOJCLG-MOPGFXCFSA-N 1 0 486.433 4.430 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300561421 1069032423 /nfs/dbraw/zinc/03/24/23/1069032423.db2.gz QVTWQEMNSAIPJR-IBGZPJMESA-N 1 0 486.433 4.430 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300561457 1069033087 /nfs/dbraw/zinc/03/30/87/1069033087.db2.gz RXQUAWJTQCBTQP-GOSISDBHSA-N 1 0 472.406 4.042 20 30 JIEDRO C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359244402 1069049442 /nfs/dbraw/zinc/04/94/42/1069049442.db2.gz BSJLXMGYPFTDHG-GOSISDBHSA-N 1 0 450.052 4.347 20 30 JIEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 ZINC000849501733 1069075911 /nfs/dbraw/zinc/07/59/11/1069075911.db2.gz ACWCMNZRAQNVJX-MOPGFXCFSA-N 1 0 488.539 4.032 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849503877 1069083637 /nfs/dbraw/zinc/08/36/37/1069083637.db2.gz MFJYDRJGTDQQAJ-SVBPBHIXSA-N 1 0 473.596 4.474 20 30 JIEDRO C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC001359248413 1069107169 /nfs/dbraw/zinc/10/71/69/1069107169.db2.gz MUDDNKYVUBCRMQ-UHFFFAOYSA-N 1 0 463.457 4.433 20 30 JIEDRO C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001359250218 1069151579 /nfs/dbraw/zinc/15/15/79/1069151579.db2.gz FGUVJLGFDHGFID-NHCUHLMSSA-N 1 0 472.678 4.279 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[NH+]1CCCC1 ZINC001300606471 1069202082 /nfs/dbraw/zinc/20/20/82/1069202082.db2.gz LRUCWTCFXNGFBB-UHFFFAOYSA-N 1 0 450.812 4.306 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001300609369 1069210990 /nfs/dbraw/zinc/21/09/90/1069210990.db2.gz NVOUXKPJVNIUEH-UHFFFAOYSA-N 1 0 465.001 4.419 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001300609583 1069211603 /nfs/dbraw/zinc/21/16/03/1069211603.db2.gz RSWHHUBLNXVNFX-GOSISDBHSA-N 1 0 462.436 4.152 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300609856 1069212690 /nfs/dbraw/zinc/21/26/90/1069212690.db2.gz XSVXUXZSUJOGDB-LJQANCHMSA-N 1 0 462.411 4.427 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359254059 1069216901 /nfs/dbraw/zinc/21/69/01/1069216901.db2.gz DALQBGKKEPVIQD-SANMLTNESA-N 1 0 478.666 4.287 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359259363 1069277214 /nfs/dbraw/zinc/27/72/14/1069277214.db2.gz UKANVABPTBXAIT-DEOSSOPVSA-N 1 0 468.696 4.264 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359260102 1069279605 /nfs/dbraw/zinc/27/96/05/1069279605.db2.gz SQNXGHCGFUMMPG-FNZWTVRRSA-N 1 0 470.637 4.259 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C ZINC001359264545 1069296253 /nfs/dbraw/zinc/29/62/53/1069296253.db2.gz HUXOMGGVOCNHGA-ISKFKSNPSA-N 1 0 492.668 4.000 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)C(C)C ZINC001359265232 1069298734 /nfs/dbraw/zinc/29/87/34/1069298734.db2.gz BNOMFLQNCVQCSY-IQFVJIFQSA-N 1 0 451.663 4.392 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001359266030 1069300679 /nfs/dbraw/zinc/30/06/79/1069300679.db2.gz RBJRZZLLFXSYPC-RUZDIDTESA-N 1 0 464.658 4.011 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2ccc(Cl)nc2C1)C(C)C ZINC001359266020 1069300950 /nfs/dbraw/zinc/30/09/50/1069300950.db2.gz QTRGTXBZDRSBIV-QFIPXVFZSA-N 1 0 479.032 4.045 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300639235 1069302135 /nfs/dbraw/zinc/30/21/35/1069302135.db2.gz JRVKARQDWOXPMM-OAQYLSRUSA-N 1 0 480.638 4.360 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001359268506 1069306169 /nfs/dbraw/zinc/30/61/69/1069306169.db2.gz SEJLSMYMKXTTID-OAQYLSRUSA-N 1 0 468.715 4.480 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300641503 1069308270 /nfs/dbraw/zinc/30/82/70/1069308270.db2.gz BAVZFYNTTWLYFH-HXUWFJFHSA-N 1 0 497.018 4.273 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C#N)c4ccccc4n3)CC2)c2ccccc21 ZINC001164682038 719677172 /nfs/dbraw/zinc/67/71/72/719677172.db2.gz OYGQVUYUTFZWFS-NRFANRHFSA-N 1 0 467.617 4.200 20 30 JIEDRO Cn1nnc2c1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718272 720184596 /nfs/dbraw/zinc/18/45/96/720184596.db2.gz ODNZYXDGPVZOKU-QHCPKHFHSA-N 1 0 499.644 4.180 20 30 JIEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1 ZINC001164829377 720357332 /nfs/dbraw/zinc/35/73/32/720357332.db2.gz RSFALRXPKRQRGS-WOJBJXKFSA-N 1 0 472.420 4.325 20 30 JIEDRO 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 720511103 /nfs/dbraw/zinc/51/11/03/720511103.db2.gz KNBDBMMUCDPDJN-VKJFTORMSA-N 1 0 469.367 4.379 20 30 JIEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc2c1Cl ZINC001164746151 720807310 /nfs/dbraw/zinc/80/73/10/720807310.db2.gz LXSQMXGXJURRPK-GJZGRUSLSA-N 1 0 491.329 4.090 20 30 JIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164871445 721193644 /nfs/dbraw/zinc/19/36/44/721193644.db2.gz ZRDJWXDHEXBJPU-SFTDATJTSA-N 1 0 496.949 4.088 20 30 JIEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867895 721196910 /nfs/dbraw/zinc/19/69/10/721196910.db2.gz JBLLFYRLURUBGH-IRXDYDNUSA-N 1 0 454.361 4.288 20 30 JIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C[C@@H]21 ZINC001165018832 721817131 /nfs/dbraw/zinc/81/71/31/721817131.db2.gz ARMSGMLSTIXOCQ-BLZYYQICSA-N 1 0 456.569 4.403 20 30 JIEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001165053336 722005531 /nfs/dbraw/zinc/00/55/31/722005531.db2.gz NOVYVUOUQORFSR-XMMPIXPASA-N 1 0 477.634 4.287 20 30 JIEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976322 722159481 /nfs/dbraw/zinc/15/94/81/722159481.db2.gz WSHAMJKAOXUTTP-OPAMFIHVSA-N 1 0 469.923 4.160 20 30 JIEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC[NH+](C2CC2)CC1 ZINC001359274100 1069310656 /nfs/dbraw/zinc/31/06/56/1069310656.db2.gz AERZGUFMKRCLTR-QFIPXVFZSA-N 1 0 470.662 4.403 20 30 JIEDRO C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[NH+](C)C ZINC001359275302 1069311680 /nfs/dbraw/zinc/31/16/80/1069311680.db2.gz PPIOGPURFLEOKM-SFHVURJKSA-N 1 0 471.447 4.231 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1([NH+](C)C)CCC1 ZINC001359279922 1069320864 /nfs/dbraw/zinc/32/08/64/1069320864.db2.gz XZZHJDHGVUKOMB-UHFFFAOYSA-N 1 0 462.436 4.139 20 30 JIEDRO C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359283192 1069324443 /nfs/dbraw/zinc/32/44/43/1069324443.db2.gz AUSAGUXGEKGQKV-FQEVSTJZSA-N 1 0 474.049 4.423 20 30 JIEDRO C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359283431 1069325540 /nfs/dbraw/zinc/32/55/40/1069325540.db2.gz PZZOYWSSFFRESC-FQEVSTJZSA-N 1 0 474.049 4.423 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300649606 1069329676 /nfs/dbraw/zinc/32/96/76/1069329676.db2.gz NXKUWDNYCJHLJI-OYRHEFFESA-N 1 0 455.622 4.350 20 30 JIEDRO C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359285807 1069331381 /nfs/dbraw/zinc/33/13/81/1069331381.db2.gz NLFDHVFZNWEKBB-NRFANRHFSA-N 1 0 453.631 4.246 20 30 JIEDRO C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359295729 1069342580 /nfs/dbraw/zinc/34/25/80/1069342580.db2.gz LXPQDLXLHCVKEA-UHFFFAOYSA-N 1 0 479.456 4.111 20 30 JIEDRO C=CCOc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC001359307625 1069348072 /nfs/dbraw/zinc/34/80/72/1069348072.db2.gz PVPWTWBXOVTFNO-GOSISDBHSA-N 1 0 499.457 4.190 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300655409 1069349039 /nfs/dbraw/zinc/34/90/39/1069349039.db2.gz WSMPBWMBZVJLQY-RUZDIDTESA-N 1 0 499.681 4.336 20 30 JIEDRO C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359310322 1069353789 /nfs/dbraw/zinc/35/37/89/1069353789.db2.gz SUEPWMSOOUCMRI-OAQYLSRUSA-N 1 0 467.658 4.169 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359312718 1069357049 /nfs/dbraw/zinc/35/70/49/1069357049.db2.gz ZYYISCPTDXKFRG-UPVQGACJSA-N 1 0 480.657 4.049 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001359316185 1069367471 /nfs/dbraw/zinc/36/74/71/1069367471.db2.gz JNQWIQUBLKBAOE-HXUWFJFHSA-N 1 0 492.039 4.408 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359322819 1069373990 /nfs/dbraw/zinc/37/39/90/1069373990.db2.gz CHQSTFQMPFHJRS-JWQCQUIFSA-N 1 0 451.659 4.469 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300664433 1069383598 /nfs/dbraw/zinc/38/35/98/1069383598.db2.gz BSSIKGJQDDNSTG-WMZHIEFXSA-N 1 0 467.614 4.315 20 30 JIEDRO C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359337923 1069396503 /nfs/dbraw/zinc/39/65/03/1069396503.db2.gz GCVBQMJDIFHFPN-LJQANCHMSA-N 1 0 462.461 4.301 20 30 JIEDRO C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359342485 1069407312 /nfs/dbraw/zinc/40/73/12/1069407312.db2.gz YWJYICUPYUPGMD-PCCBWWKXSA-N 1 0 492.734 4.231 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359466932 1069602294 /nfs/dbraw/zinc/60/22/94/1069602294.db2.gz JXOOYPISLLSLDS-MSOLQXFVSA-N 1 0 484.446 4.162 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359472143 1069619934 /nfs/dbraw/zinc/61/99/34/1069619934.db2.gz GQSVPEIKMKFQON-JTHBVZDNSA-N 1 0 495.672 4.120 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359470708 1069620205 /nfs/dbraw/zinc/62/02/05/1069620205.db2.gz DJCCSEDVHAPDQP-JOCHJYFZSA-N 1 0 460.630 4.239 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359472141 1069620497 /nfs/dbraw/zinc/62/04/97/1069620497.db2.gz GQSVPEIKMKFQON-GGAORHGYSA-N 1 0 495.672 4.120 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359475520 1069628576 /nfs/dbraw/zinc/62/85/76/1069628576.db2.gz MGDKQVJMQWWMKK-LEWJYISDSA-N 1 0 470.625 4.242 20 30 JIEDRO CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359515178 1069801832 /nfs/dbraw/zinc/80/18/32/1069801832.db2.gz MQERBSMYZTXEPG-UHFFFAOYSA-N 1 0 477.701 4.426 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001359534379 1069827560 /nfs/dbraw/zinc/82/75/60/1069827560.db2.gz UHNAIMJHMMJGOX-RPBOFIJWSA-N 1 0 478.685 4.044 20 30 JIEDRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359563612 1069891063 /nfs/dbraw/zinc/89/10/63/1069891063.db2.gz TZCKKKYBJBRZCV-QFIPXVFZSA-N 1 0 493.656 4.185 20 30 JIEDRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359627212 1070125990 /nfs/dbraw/zinc/12/59/90/1070125990.db2.gz FEYFMHKXQJMRHS-UPVQGACJSA-N 1 0 491.684 4.070 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)[NH+]1CCOCC1 ZINC001359658390 1070255396 /nfs/dbraw/zinc/25/53/96/1070255396.db2.gz AWKHOTHUHJQTMK-JOCHJYFZSA-N 1 0 457.022 4.085 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)[NH+]1CCOCC1 ZINC001359658391 1070255956 /nfs/dbraw/zinc/25/59/56/1070255956.db2.gz AWKHOTHUHJQTMK-QFIPXVFZSA-N 1 0 457.022 4.085 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC001359659100 1070262849 /nfs/dbraw/zinc/26/28/49/1070262849.db2.gz PMDPIWQOEKHQFW-JOCHJYFZSA-N 1 0 457.022 4.085 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001359658726 1070259202 /nfs/dbraw/zinc/25/92/02/1070259202.db2.gz ICSLLKBISRWUOP-NRFANRHFSA-N 1 0 475.424 4.073 20 30 JIEDRO CC(C)[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001359663487 1070288444 /nfs/dbraw/zinc/28/84/44/1070288444.db2.gz QDNRSRVVJTVTCL-XZOQPEGZSA-N 1 0 499.704 4.253 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001315529839 1064512451 /nfs/dbraw/zinc/51/24/51/1064512451.db2.gz OGCFZRVJYOFGCB-QFIPXVFZSA-N 1 0 480.638 4.360 20 30 JIEDRO 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CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC001315721617 1065017974 /nfs/dbraw/zinc/01/79/74/1065017974.db2.gz XDBMWNTUQPGEPS-TXTKFYIRSA-N 1 0 450.631 4.188 20 30 JIEDRO COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315791657 1065133333 /nfs/dbraw/zinc/13/33/33/1065133333.db2.gz DHAOBOFYBWLTGM-AOHZBQACSA-N 1 0 480.657 4.102 20 30 JIEDRO COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001316051745 1065674811 /nfs/dbraw/zinc/67/48/11/1065674811.db2.gz LOEXLMXPBYYNSZ-DFHRPNOPSA-N 1 0 494.684 4.349 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316100337 1065767199 /nfs/dbraw/zinc/76/71/99/1065767199.db2.gz NXRRVOZPYKPJHT-RTBURBONSA-N 1 0 489.462 4.194 20 30 JIEDRO CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)CC[NH+](C)CC1 ZINC001316401785 1066180072 /nfs/dbraw/zinc/18/00/72/1066180072.db2.gz GSOQJYLFYLHAGG-UHFFFAOYSA-N 1 0 468.671 4.038 20 30 JIEDRO CC(=O)C1C(C)=NC(C(=O)C(C(=S)NCc2ccc(S(N)(=O)=O)cc2)[n+]2ccc(C)cc2)=C1C ZINC001318355973 1067030626 /nfs/dbraw/zinc/03/06/26/1067030626.db2.gz PBDAHLRTMSFKEW-UHFFFAOYSA-O 1 0 499.638 4.156 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300691456 1067040816 /nfs/dbraw/zinc/04/08/16/1067040816.db2.gz ZLJXYTSLAKTNIM-VWLOTQADSA-N 1 0 492.712 4.246 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300692304 1067041967 /nfs/dbraw/zinc/04/19/67/1067041967.db2.gz CXLWHMMFGKTIPK-JOCHJYFZSA-N 1 0 467.017 4.030 20 30 JIEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300701268 1067061189 /nfs/dbraw/zinc/06/11/89/1067061189.db2.gz MPIKWODCLWNQJL-ZRZAMGCNSA-N 1 0 483.104 4.036 20 30 JIEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2Cl)CC1 ZINC001351483941 1067103467 /nfs/dbraw/zinc/10/34/67/1067103467.db2.gz YFGAFLOTVTUOOL-UHFFFAOYSA-N 1 0 451.880 4.410 20 30 JIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc1OC ZINC001321654336 1067191072 /nfs/dbraw/zinc/19/10/72/1067191072.db2.gz RYKPAACHIKOCAO-IBGZPJMESA-N 1 0 459.384 4.417 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001300787023 1067350196 /nfs/dbraw/zinc/35/01/96/1067350196.db2.gz JFLTYMPIPLLKOZ-YZIHRLCOSA-N 1 0 485.076 4.090 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300790066 1067359556 /nfs/dbraw/zinc/35/95/56/1067359556.db2.gz GLYYLMBBIXFXGX-CUVVAGTFSA-N 1 0 451.615 4.075 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300790879 1067361376 /nfs/dbraw/zinc/36/13/76/1067361376.db2.gz ZCGSVRSSXFZDTE-JIPXPUAJSA-N 1 0 465.642 4.467 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(COc4ccc(F)cc4)nnc3N(C)[C@@H](C)CC#N)CCCC2)CC1 ZINC001300791562 1067362490 /nfs/dbraw/zinc/36/24/90/1067362490.db2.gz NBNXZICRYQKALS-FQEVSTJZSA-N 1 0 484.620 4.158 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300029295 1067413614 /nfs/dbraw/zinc/41/36/14/1067413614.db2.gz NVPCDQBAYFDAMR-WOJBJXKFSA-N 1 0 466.630 4.070 20 30 JIEDRO COc1ccc([C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)N2CCOCC2)cc1OC ZINC000849057829 1067788496 /nfs/dbraw/zinc/78/84/96/1067788496.db2.gz UHSGZDHMNLLQLR-HSZRJFAPSA-N 1 0 452.599 4.031 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)Nc2ccccc2)cc1 ZINC000849070039 1067796223 /nfs/dbraw/zinc/79/62/23/1067796223.db2.gz AKGFYUMUCLBVGI-XMMPIXPASA-N 1 0 455.606 4.455 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001300265051 1068034221 /nfs/dbraw/zinc/03/42/21/1068034221.db2.gz NMKXYLIVIFLCSM-IRLDBZIGSA-N 1 0 466.630 4.259 20 30 JIEDRO 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 ZINC001300265558 1068036116 /nfs/dbraw/zinc/03/61/16/1068036116.db2.gz YSVSRDWIWUYHKV-QHAWAJNXSA-N 1 0 468.646 4.218 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300275221 1068058308 /nfs/dbraw/zinc/05/83/08/1068058308.db2.gz RVOLQPRMRUVLTA-GGAORHGYSA-N 1 0 465.642 4.138 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300275859 1068058580 /nfs/dbraw/zinc/05/85/80/1068058580.db2.gz BBTNWSURXXEKBN-RXVVDRJESA-N 1 0 481.442 4.169 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300276185 1068059551 /nfs/dbraw/zinc/05/95/51/1068059551.db2.gz IUMGSLAIGIIUKO-DENIHFKCSA-N 1 0 451.615 4.217 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300277307 1068062486 /nfs/dbraw/zinc/06/24/86/1068062486.db2.gz ZJLYNHUXFJFMPW-HTAPYJJXSA-N 1 0 481.442 4.404 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300277777 1068063739 /nfs/dbraw/zinc/06/37/39/1068063739.db2.gz MJKXGTZXZNNLFX-NRFANRHFSA-N 1 0 466.630 4.260 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001300291118 1068096127 /nfs/dbraw/zinc/09/61/27/1068096127.db2.gz CBOOOTUUOUFEEM-GBXCKJPGSA-N 1 0 460.626 4.088 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001300323308 1068245236 /nfs/dbraw/zinc/24/52/36/1068245236.db2.gz YRMJSNXTICRDRG-XMMPIXPASA-N 1 0 479.669 4.215 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001300327330 1068257141 /nfs/dbraw/zinc/25/71/41/1068257141.db2.gz BPQCFKAMWVLMFY-YUXAGFNASA-N 1 0 484.620 4.250 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300329059 1068263639 /nfs/dbraw/zinc/26/36/39/1068263639.db2.gz NUJRANXGBWXJEN-ZQGJOIPISA-N 1 0 486.705 4.265 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300330242 1068269743 /nfs/dbraw/zinc/26/97/43/1068269743.db2.gz WOYGPLIHPXCWBZ-YZGWKJHDSA-N 1 0 472.659 4.172 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001300332475 1068282139 /nfs/dbraw/zinc/28/21/39/1068282139.db2.gz HKYURLVXTDKPPW-NHCUHLMSSA-N 1 0 476.669 4.358 20 30 JIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)c1C#N ZINC000517504728 1068295284 /nfs/dbraw/zinc/29/52/84/1068295284.db2.gz CFQHHWVUIRZVHJ-UHFFFAOYSA-N 1 0 473.968 4.251 20 30 JIEDRO C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001300343059 1068333285 /nfs/dbraw/zinc/33/32/85/1068333285.db2.gz XNISSXXHMZJJTJ-VXKWHMMOSA-N 1 0 486.060 4.424 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001358871376 1068364389 /nfs/dbraw/zinc/36/43/89/1068364389.db2.gz DSPXBKHYYRRXOS-VQTJNVASSA-N 1 0 451.615 4.149 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358871867 1068366010 /nfs/dbraw/zinc/36/60/10/1068366010.db2.gz LIRBXBOJNQBYBO-UXHICEINSA-N 1 0 472.033 4.174 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358875006 1068369295 /nfs/dbraw/zinc/36/92/95/1068369295.db2.gz HSIFKNJASUEQMC-JXFKEZNVSA-N 1 0 455.404 4.105 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001358875072 1068369957 /nfs/dbraw/zinc/36/99/57/1068369957.db2.gz IPQVWTKAPBYXTL-SIKLNZKXSA-N 1 0 478.666 4.072 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358877458 1068375935 /nfs/dbraw/zinc/37/59/35/1068375935.db2.gz FGRUKJXUHYPNQJ-YESZJQIVSA-N 1 0 494.865 4.318 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358879357 1068377518 /nfs/dbraw/zinc/37/75/18/1068377518.db2.gz PPVBFACZYVLZDH-VSKRKVRLSA-N 1 0 491.636 4.463 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](c1ccco1)[NH+](C)C ZINC001358880673 1068379944 /nfs/dbraw/zinc/37/99/44/1068379944.db2.gz QNFQQRRLPLTFEX-RDTXWAMCSA-N 1 0 460.351 4.201 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001358889095 1068386661 /nfs/dbraw/zinc/38/66/61/1068386661.db2.gz WZEWADOVGZYTNZ-NHCUHLMSSA-N 1 0 472.678 4.115 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCCC1 ZINC001358898330 1068393411 /nfs/dbraw/zinc/39/34/11/1068393411.db2.gz QJJGQTZLDLPXAU-KRWDZBQOSA-N 1 0 450.414 4.498 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001358901766 1068401533 /nfs/dbraw/zinc/40/15/33/1068401533.db2.gz WDGFXGSEKROKLI-UHFFFAOYSA-N 1 0 485.636 4.051 20 30 JIEDRO C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300372841 1068433534 /nfs/dbraw/zinc/43/35/34/1068433534.db2.gz VRTYQCQXYRCVDD-PSWAGMNNSA-N 1 0 479.669 4.295 20 30 JIEDRO C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001358922490 1068463082 /nfs/dbraw/zinc/46/30/82/1068463082.db2.gz HALYLVQLNRZSHM-UHFFFAOYSA-N 1 0 499.501 4.116 20 30 JIEDRO C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001358935164 1068484149 /nfs/dbraw/zinc/48/41/49/1068484149.db2.gz ZJVYYVHZZJQYHA-QHCPKHFHSA-N 1 0 465.642 4.372 20 30 JIEDRO C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358936025 1068487130 /nfs/dbraw/zinc/48/71/30/1068487130.db2.gz AOSCFIRCRCWTCN-RPWUZVMVSA-N 1 0 492.668 4.474 20 30 JIEDRO C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358947463 1068498927 /nfs/dbraw/zinc/49/89/27/1068498927.db2.gz CLXWDTMGJZBATI-QHCPKHFHSA-N 1 0 480.657 4.073 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001358971153 1068513006 /nfs/dbraw/zinc/51/30/06/1068513006.db2.gz JRVQDIMTHHBLAF-LJQANCHMSA-N 1 0 479.426 4.019 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCC[NH+]1CCN(CC)CC1 ZINC001358971551 1068513616 /nfs/dbraw/zinc/51/36/16/1068513616.db2.gz ZUSWVALZSLLRHZ-UHFFFAOYSA-N 1 0 495.096 4.304 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCC[N@H+]1CC ZINC001358971377 1068513988 /nfs/dbraw/zinc/51/39/88/1068513988.db2.gz SCYMPFROMZEKAX-QFIPXVFZSA-N 1 0 458.635 4.324 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358972229 1068516454 /nfs/dbraw/zinc/51/64/54/1068516454.db2.gz YEBLLGHVDSGDKL-NJYVYQBISA-N 1 0 479.694 4.092 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358972526 1068518363 /nfs/dbraw/zinc/51/83/63/1068518363.db2.gz IILSMSSHAGWTII-QGZVFWFLSA-N 1 0 462.461 4.208 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358972525 1068518553 /nfs/dbraw/zinc/51/85/53/1068518553.db2.gz IILSMSSHAGWTII-KRWDZBQOSA-N 1 0 462.461 4.208 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001358972898 1068520266 /nfs/dbraw/zinc/52/02/66/1068520266.db2.gz XCQMCGDNNJBOHY-OAQYLSRUSA-N 1 0 482.451 4.453 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358986731 1068539246 /nfs/dbraw/zinc/53/92/46/1068539246.db2.gz FZADIBAMXNKNRO-JTHBVZDNSA-N 1 0 454.622 4.385 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001358986973 1068540045 /nfs/dbraw/zinc/54/00/45/1068540045.db2.gz NKEWGRBXARSGTA-JOCHJYFZSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001358988314 1068546512 /nfs/dbraw/zinc/54/65/12/1068546512.db2.gz LCCZZAWCGQJHIJ-FQEVSTJZSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001300399372 1068549528 /nfs/dbraw/zinc/54/95/28/1068549528.db2.gz JXFWZOHPLKKJCS-UHFFFAOYSA-N 1 0 456.034 4.341 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001358997221 1068562453 /nfs/dbraw/zinc/56/24/53/1068562453.db2.gz KGSCBAOGGQXOEX-RUZDIDTESA-N 1 0 471.605 4.449 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001358997477 1068563048 /nfs/dbraw/zinc/56/30/48/1068563048.db2.gz UVJJEFKEJJVMKO-UHFFFAOYSA-N 1 0 461.654 4.484 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)C[NH+](C)C ZINC001358998019 1068564585 /nfs/dbraw/zinc/56/45/85/1068564585.db2.gz NFOIKMALPVGULZ-UHFFFAOYSA-N 1 0 462.425 4.215 20 30 JIEDRO C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359001348 1068570588 /nfs/dbraw/zinc/57/05/88/1068570588.db2.gz RKQUBAHCPWNTOB-UFYCRDLUSA-N 1 0 474.049 4.419 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001359001848 1068572065 /nfs/dbraw/zinc/57/20/65/1068572065.db2.gz FSYDEXOGJXXNQG-UHFFFAOYSA-N 1 0 469.431 4.006 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCC1CC[NH+](CC)CC1 ZINC001359003122 1068576592 /nfs/dbraw/zinc/57/65/92/1068576592.db2.gz ZCGVGKZGZPLJRO-UHFFFAOYSA-N 1 0 474.447 4.298 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359009115 1068583685 /nfs/dbraw/zinc/58/36/85/1068583685.db2.gz IPIYCHPSEXJLSD-GGAORHGYSA-N 1 0 498.647 4.294 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359022023 1068624808 /nfs/dbraw/zinc/62/48/08/1068624808.db2.gz KFYAHXHNZROJKZ-BGYRXZFFSA-N 1 0 458.050 4.441 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359030258 1068636625 /nfs/dbraw/zinc/63/66/25/1068636625.db2.gz RLCWHBVCZTXYRB-XZOQPEGZSA-N 1 0 499.103 4.481 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359030482 1068638127 /nfs/dbraw/zinc/63/81/27/1068638127.db2.gz WYCBWJOMKXHRCP-OHSXHVKISA-N 1 0 476.713 4.333 20 30 JIEDRO C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359039403 1068652362 /nfs/dbraw/zinc/65/23/62/1068652362.db2.gz HEPKIHDXSSVWNQ-QFIPXVFZSA-N 1 0 487.117 4.099 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359040944 1068655047 /nfs/dbraw/zinc/65/50/47/1068655047.db2.gz JZNPPOHKZDPSDI-VDKIKQQVSA-N 1 0 490.696 4.058 20 30 JIEDRO C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359053082 1068683237 /nfs/dbraw/zinc/68/32/37/1068683237.db2.gz ATBQDBSYNDWFAV-GOSISDBHSA-N 1 0 476.488 4.242 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCCC[NH+]1CCCC1 ZINC001300439828 1068711340 /nfs/dbraw/zinc/71/13/40/1068711340.db2.gz INQGQTNIVWVIIC-UHFFFAOYSA-N 1 0 460.420 4.052 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+](C)C(C)C ZINC001359066317 1068712550 /nfs/dbraw/zinc/71/25/50/1068712550.db2.gz WXKKKHCOIYTLRB-JOCHJYFZSA-N 1 0 460.420 4.049 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001359073566 1068727517 /nfs/dbraw/zinc/72/75/17/1068727517.db2.gz WKOQWYFFCGRMIE-AJTFRIOCSA-N 1 0 490.677 4.127 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359074159 1068729541 /nfs/dbraw/zinc/72/95/41/1068729541.db2.gz SWJGKLRJRYIBFY-HHHXNRCGSA-N 1 0 465.642 4.370 20 30 JIEDRO C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359078030 1068738469 /nfs/dbraw/zinc/73/84/69/1068738469.db2.gz QMIQWSAQIYZSDE-UHFFFAOYSA-N 1 0 469.225 4.147 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300449313 1068749642 /nfs/dbraw/zinc/74/96/42/1068749642.db2.gz PXUUJHMVZOTDIA-SFHVURJKSA-N 1 0 460.420 4.050 20 30 JIEDRO C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001359080875 1068752719 /nfs/dbraw/zinc/75/27/19/1068752719.db2.gz HFFDKTNBHXBCQU-UHFFFAOYSA-N 1 0 492.437 4.322 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359085467 1068764529 /nfs/dbraw/zinc/76/45/29/1068764529.db2.gz OVQABQCIRKHFGS-UHFFFAOYSA-N 1 0 452.828 4.209 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001359086147 1068767163 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/nfs/dbraw/zinc/83/78/44/1068837844.db2.gz VCSHJCQWNGCVHQ-DYXWJJEUSA-N 1 0 460.022 4.337 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359128140 1068838717 /nfs/dbraw/zinc/83/87/17/1068838717.db2.gz LDVALEPXVZUIRF-KRWDZBQOSA-N 1 0 480.476 4.426 20 30 JIEDRO C=C(Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001359140439 1068850110 /nfs/dbraw/zinc/85/01/10/1068850110.db2.gz AXSQMQLYXVRTAQ-ZRZAMGCNSA-N 1 0 450.675 4.284 20 30 JIEDRO C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001359143679 1068854090 /nfs/dbraw/zinc/85/40/90/1068854090.db2.gz JWIITQGTXWYKAJ-SFHVURJKSA-N 1 0 468.827 4.007 20 30 JIEDRO C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359151426 1068862398 /nfs/dbraw/zinc/86/23/98/1068862398.db2.gz UEPSXHVGNOCAFN-FQEVSTJZSA-N 1 0 493.096 4.457 20 30 JIEDRO C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001359160275 1068871132 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C=CCSCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001359340364 1069403154 /nfs/dbraw/zinc/40/31/54/1069403154.db2.gz KVQUGEFSLABEQH-FQEVSTJZSA-N 1 0 466.655 4.095 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300680926 1069445777 /nfs/dbraw/zinc/44/57/77/1069445777.db2.gz ZUNDDARNWVQOAJ-CJFMBICVSA-N 1 0 468.671 4.441 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359411354 1069526392 /nfs/dbraw/zinc/52/63/92/1069526392.db2.gz JPMGVNVXNXSAPV-ITYMFSOSSA-N 1 0 491.684 4.068 20 30 JIEDRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C#N)C[NH+]1CCCCC1 ZINC001359469879 1069616432 /nfs/dbraw/zinc/61/64/32/1069616432.db2.gz MKDOGGISRGTJBK-QZTJIDSGSA-N 1 0 459.436 4.425 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359476527 1069632953 /nfs/dbraw/zinc/63/29/53/1069632953.db2.gz GNBIRVNKPXLFAD-KDOFPFPSSA-N 1 0 451.402 4.100 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359476797 1069634408 /nfs/dbraw/zinc/63/44/08/1069634408.db2.gz LHCHBZWMTYNETA-KNQAVFIVSA-N 1 0 466.561 4.412 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359477099 1069637043 /nfs/dbraw/zinc/63/70/43/1069637043.db2.gz QVFJRUJBAKWREB-QRVBRYPASA-N 1 0 489.462 4.336 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359478183 1069641100 /nfs/dbraw/zinc/64/11/00/1069641100.db2.gz OBRXMCBPTLSOLG-IJXRJRJASA-N 1 0 487.674 4.009 20 30 JIEDRO CC(C)(C)c1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001359497757 1069740170 /nfs/dbraw/zinc/74/01/70/1069740170.db2.gz CHDHZYRINCCLFT-UHFFFAOYSA-N 1 0 494.684 4.131 20 30 JIEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CC1 ZINC001359547631 1069853322 /nfs/dbraw/zinc/85/33/22/1069853322.db2.gz WUWGXKAMEXAILR-UHFFFAOYSA-N 1 0 468.552 4.218 20 30 JIEDRO COc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315647702 1064822316 /nfs/dbraw/zinc/82/23/16/1064822316.db2.gz OHMNCRQSXAQHEK-PMACEKPBSA-N 1 0 454.619 4.115 20 30 JIEDRO COC1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001315678253 1064917400 /nfs/dbraw/zinc/91/74/00/1064917400.db2.gz STGQGAWDGJTEIR-UHFFFAOYSA-N 1 0 450.631 4.333 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(-c4cccc([N+](=O)[O-])c4)nnc3N(C)[C@@H](C)CC#N)CCCC2)CC1 ZINC001315710343 1064986548 /nfs/dbraw/zinc/98/65/48/1064986548.db2.gz UOILMHIKDMYKLC-IBGZPJMESA-N 1 0 481.601 4.015 20 30 JIEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[C@@H]1C ZINC001315737174 1065041177 /nfs/dbraw/zinc/04/11/77/1065041177.db2.gz RYPBABBROMIOAH-ZFGGDYGUSA-N 1 0 480.657 4.100 20 30 JIEDRO COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001315892167 1065352439 /nfs/dbraw/zinc/35/24/39/1065352439.db2.gz SOXPNIWRHYYTFW-JOCHJYFZSA-N 1 0 450.631 4.334 20 30 JIEDRO COCC[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001316066125 1065704729 /nfs/dbraw/zinc/70/47/29/1065704729.db2.gz VLRZMPDFMNCGLB-OAQYLSRUSA-N 1 0 450.612 4.188 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001316086320 1065738624 /nfs/dbraw/zinc/73/86/24/1065738624.db2.gz LZXYFSYHLRTCIK-NRFANRHFSA-N 1 0 475.641 4.308 20 30 JIEDRO COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316091298 1065748998 /nfs/dbraw/zinc/74/89/98/1065748998.db2.gz GCNRBZMWXCAKHB-SFTDATJTSA-N 1 0 476.625 4.492 20 30 JIEDRO COCCO[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316168096 1065839487 /nfs/dbraw/zinc/83/94/87/1065839487.db2.gz WJCXIJLSRIQJJV-JOCHJYFZSA-N 1 0 492.668 4.432 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001316283148 1066038304 /nfs/dbraw/zinc/03/83/04/1066038304.db2.gz VHESNGQQIAZXMJ-PUHATCMVSA-N 1 0 480.657 4.262 20 30 JIEDRO CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC[NH+](C)CC1 ZINC001316410253 1066197908 /nfs/dbraw/zinc/19/79/08/1066197908.db2.gz RPDXAJJSPZYQKM-PMACEKPBSA-N 1 0 468.671 4.038 20 30 JIEDRO Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492518157 1066375084 /nfs/dbraw/zinc/37/50/84/1066375084.db2.gz UZXDHUJHWRIYAC-UHFFFAOYSA-N 1 0 490.631 4.105 20 30 JIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCCCCCO)CC2)cc1 ZINC001316533886 1066555012 /nfs/dbraw/zinc/55/50/12/1066555012.db2.gz HMRFKJKRKNKDTO-UHFFFAOYSA-N 1 0 494.043 4.130 20 30 JIEDRO C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)ccc1Cl ZINC001318043631 1066867850 /nfs/dbraw/zinc/86/78/50/1066867850.db2.gz BSQPEXLAYNPMGR-LJQANCHMSA-N 1 0 476.042 4.183 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[C@H](OCC)C(C)C)CC1 ZINC001300688489 1067032540 /nfs/dbraw/zinc/03/25/40/1067032540.db2.gz GNGUAWURIBVDAT-IRLDBZIGSA-N 1 0 469.699 4.338 20 30 JIEDRO C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001300769864 1067316971 /nfs/dbraw/zinc/31/69/71/1067316971.db2.gz LCGGEGXXKVBXSY-FGZHOGPDSA-N 1 0 467.683 4.328 20 30 JIEDRO C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001300777757 1067332034 /nfs/dbraw/zinc/33/20/34/1067332034.db2.gz CCNZLRDGHDOUER-NRFANRHFSA-N 1 0 490.718 4.027 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001300782206 1067338258 /nfs/dbraw/zinc/33/82/58/1067338258.db2.gz IZLYWOGVEIMRSE-OAQYLSRUSA-N 1 0 468.671 4.038 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001300782891 1067340336 /nfs/dbraw/zinc/34/03/36/1067340336.db2.gz SOSHROGJASTIST-KDURUIRLSA-N 1 0 486.611 4.434 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300789012 1067356532 /nfs/dbraw/zinc/35/65/32/1067356532.db2.gz UUGRORGMIUHDOB-BKMJKUGQSA-N 1 0 451.615 4.075 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001300031266 1067421670 /nfs/dbraw/zinc/42/16/70/1067421670.db2.gz XZIGEQUPCVLDMJ-KRWDZBQOSA-N 1 0 487.446 4.331 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300031269 1067421805 /nfs/dbraw/zinc/42/18/05/1067421805.db2.gz XZLJCBFSDYVNTO-QFIPXVFZSA-N 1 0 466.630 4.213 20 30 JIEDRO Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001492582791 1067533328 /nfs/dbraw/zinc/53/33/28/1067533328.db2.gz SZDGJCYMQHGIHK-WOVHNISZSA-N 1 0 452.622 4.377 20 30 JIEDRO COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300119266 1067733085 /nfs/dbraw/zinc/73/30/85/1067733085.db2.gz QHLBRDFPZURVTH-QFQXNSOFSA-N 1 0 468.621 4.168 20 30 JIEDRO COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300119264 1067733143 /nfs/dbraw/zinc/73/31/43/1067733143.db2.gz QHLBRDFPZURVTH-LVXARBLLSA-N 1 0 468.621 4.168 20 30 JIEDRO C=C(C)Cn1c(SCC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)nnc1-c1ccco1 ZINC001357399598 1067844170 /nfs/dbraw/zinc/84/41/70/1067844170.db2.gz UJJRYYFIDNCCQH-UHFFFAOYSA-N 1 0 451.596 4.334 20 30 JIEDRO CCC[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001357607775 1067876792 /nfs/dbraw/zinc/87/67/92/1067876792.db2.gz IGGWTEIKVBBBOW-LJQANCHMSA-N 1 0 456.384 4.213 20 30 JIEDRO C=CCNC(=S)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1c(Br)cccc1OC ZINC001200302796 1068023615 /nfs/dbraw/zinc/02/36/15/1068023615.db2.gz NXBHGVWHYXVYAZ-PKOBYXMFSA-N 1 0 460.441 4.076 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001300265050 1068033975 /nfs/dbraw/zinc/03/39/75/1068033975.db2.gz NMKXYLIVIFLCSM-IFMALSPDSA-N 1 0 466.630 4.259 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300275857 1068058489 /nfs/dbraw/zinc/05/84/89/1068058489.db2.gz BBTNWSURXXEKBN-GHTZIAJQSA-N 1 0 481.442 4.169 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300276946 1068060793 /nfs/dbraw/zinc/06/07/93/1068060793.db2.gz STRSFSPAVHCXDV-IAGOWNOFSA-N 1 0 462.411 4.427 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001300286382 1068086053 /nfs/dbraw/zinc/08/60/53/1068086053.db2.gz JDNIYMAGLIOHJU-SJLPKXTDSA-N 1 0 450.414 4.067 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300287062 1068087647 /nfs/dbraw/zinc/08/76/47/1068087647.db2.gz STYKRCOKTHGXPD-XLIONFOSSA-N 1 0 453.974 4.495 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300289783 1068091900 /nfs/dbraw/zinc/09/19/00/1068091900.db2.gz JMEOJNISTBXKDZ-HKUYNNGSSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300290842 1068095817 /nfs/dbraw/zinc/09/58/17/1068095817.db2.gz PXEJDWTVFLOAEZ-KNQAVFIVSA-N 1 0 451.615 4.217 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000510244756 1068165946 /nfs/dbraw/zinc/16/59/46/1068165946.db2.gz OBUMZGLLIJSJIG-UHFFFAOYSA-N 1 0 464.620 4.488 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300321840 1068238730 /nfs/dbraw/zinc/23/87/30/1068238730.db2.gz OKBYXSQYMPAJEB-UQBPGWFLSA-N 1 0 455.672 4.050 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300325065 1068250004 /nfs/dbraw/zinc/25/00/04/1068250004.db2.gz RYINYSGJPOOSPO-NRFANRHFSA-N 1 0 483.682 4.075 20 30 JIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1C#N ZINC000518354244 1068307392 /nfs/dbraw/zinc/30/73/92/1068307392.db2.gz AFDXHNXHOPKKOG-UHFFFAOYSA-N 1 0 459.941 4.192 20 30 JIEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC001353559477 1068323109 /nfs/dbraw/zinc/32/31/09/1068323109.db2.gz MLELWBOIHLTFAH-UHFFFAOYSA-N 1 0 453.590 4.194 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001358875371 1068370979 /nfs/dbraw/zinc/37/09/79/1068370979.db2.gz OIXNBTYKCGADFT-XMSQKQJNSA-N 1 0 481.442 4.341 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358876103 1068373195 /nfs/dbraw/zinc/37/31/95/1068373195.db2.gz CDOVXKHGRKWKQQ-IXDOHACOSA-N 1 0 462.411 4.425 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358877459 1068375663 /nfs/dbraw/zinc/37/56/63/1068375663.db2.gz FGRUKJXUHYPNQJ-ZACQAIPSSA-N 1 0 494.865 4.318 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001358879935 1068378069 /nfs/dbraw/zinc/37/80/69/1068378069.db2.gz AVNMJZUVYNIFCK-SFHVURJKSA-N 1 0 465.001 4.377 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001358881917 1068380787 /nfs/dbraw/zinc/38/07/87/1068380787.db2.gz PLDLWXKLCDACKS-FPOVZHCZSA-N 1 0 463.582 4.240 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001358890490 1068387890 /nfs/dbraw/zinc/38/78/90/1068387890.db2.gz QDUXRLXEZBKNDT-OFNKIYASSA-N 1 0 492.697 4.055 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCC1 ZINC001358899578 1068396541 /nfs/dbraw/zinc/39/65/41/1068396541.db2.gz QEHGIXUBMVKUJD-RTWAWAEBSA-N 1 0 458.651 4.074 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001358901567 1068400878 /nfs/dbraw/zinc/40/08/78/1068400878.db2.gz OWWSYKQSBSANOX-JOCHJYFZSA-N 1 0 494.043 4.026 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001358901757 1068401304 /nfs/dbraw/zinc/40/13/04/1068401304.db2.gz VXUDHSVZSJZBDP-BHIFYINESA-N 1 0 464.658 4.216 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001358903369 1068408115 /nfs/dbraw/zinc/40/81/15/1068408115.db2.gz UJHIOUFCDJHDJN-DHIUTWEWSA-N 1 0 490.696 4.435 20 30 JIEDRO C#CCCCCn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001358908934 1068428650 /nfs/dbraw/zinc/42/86/50/1068428650.db2.gz OWGQJEOYAKJXTQ-SQJMNOBHSA-N 1 0 475.641 4.010 20 30 JIEDRO C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001358911785 1068431710 /nfs/dbraw/zinc/43/17/10/1068431710.db2.gz CNCDYBWCUPLKGZ-QFIPXVFZSA-N 1 0 486.705 4.364 20 30 JIEDRO C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001358911784 1068432024 /nfs/dbraw/zinc/43/20/24/1068432024.db2.gz CNCDYBWCUPLKGZ-JOCHJYFZSA-N 1 0 486.705 4.364 20 30 JIEDRO C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001358912645 1068434374 /nfs/dbraw/zinc/43/43/74/1068434374.db2.gz VMJSYFQTJAEWEP-GOTSBHOMSA-N 1 0 484.689 4.261 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001358921616 1068459203 /nfs/dbraw/zinc/45/92/03/1068459203.db2.gz DCZMFTDROJFDRG-UHFFFAOYSA-N 1 0 461.452 4.016 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001300385407 1068482293 /nfs/dbraw/zinc/48/22/93/1068482293.db2.gz AKBRBHABLWMEBC-UHFFFAOYSA-N 1 0 475.479 4.408 20 30 JIEDRO C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001358934646 1068482893 /nfs/dbraw/zinc/48/28/93/1068482893.db2.gz IRIAJEYMDOPLRO-UHFFFAOYSA-N 1 0 463.651 4.314 20 30 JIEDRO C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001358936026 1068487419 /nfs/dbraw/zinc/48/74/19/1068487419.db2.gz AOSCFIRCRCWTCN-ZEQRLZLVSA-N 1 0 492.668 4.474 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358943614 1068496457 /nfs/dbraw/zinc/49/64/57/1068496457.db2.gz OJLNLNSZXOTMTL-MRXNPFEDSA-N 1 0 462.411 4.427 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccccc2CC)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001358953618 1068503178 /nfs/dbraw/zinc/50/31/78/1068503178.db2.gz COGXVHQERJTKGK-UHFFFAOYSA-N 1 0 463.651 4.463 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[NH+]1CCC(C)CC1 ZINC001358969108 1068509285 /nfs/dbraw/zinc/50/92/85/1068509285.db2.gz HCBGQGNLTMIIDZ-QFIPXVFZSA-N 1 0 468.045 4.493 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001300391537 1068511579 /nfs/dbraw/zinc/51/15/79/1068511579.db2.gz AQAZDXCKXQWWAB-UHFFFAOYSA-N 1 0 462.425 4.214 20 30 JIEDRO C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001300393809 1068519739 /nfs/dbraw/zinc/51/97/39/1068519739.db2.gz KTQALGWYEAGJCY-JOCHJYFZSA-N 1 0 499.501 4.034 20 30 JIEDRO C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001300394001 1068521374 /nfs/dbraw/zinc/52/13/74/1068521374.db2.gz KVHOKOOINRLBRS-OAQYLSRUSA-N 1 0 465.642 4.467 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001358974862 1068523493 /nfs/dbraw/zinc/52/34/93/1068523493.db2.gz UMBIYBVSJYPBRE-IBGZPJMESA-N 1 0 454.416 4.045 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001358982054 1068528737 /nfs/dbraw/zinc/52/87/37/1068528737.db2.gz HXECRRTXXWECAO-VWLOTQADSA-N 1 0 461.654 4.482 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001358985428 1068534368 /nfs/dbraw/zinc/53/43/68/1068534368.db2.gz YPMTZAPYBPAUKF-YADHBBJMSA-N 1 0 451.590 4.141 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001358987229 1068541457 /nfs/dbraw/zinc/54/14/57/1068541457.db2.gz XJUBVMWBZKNKBJ-IBGZPJMESA-N 1 0 458.635 4.323 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001358987932 1068543684 /nfs/dbraw/zinc/54/36/84/1068543684.db2.gz XLKZNZZNOVKAQG-UHFFFAOYSA-N 1 0 451.924 4.336 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358989036 1068549259 /nfs/dbraw/zinc/54/92/59/1068549259.db2.gz NCCRCYUXBMOFHE-UHFFFAOYSA-N 1 0 454.018 4.335 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001358989790 1068551331 /nfs/dbraw/zinc/55/13/31/1068551331.db2.gz PRLNKYOEWRVAQC-UHFFFAOYSA-N 1 0 498.469 4.301 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001358989930 1068552270 /nfs/dbraw/zinc/55/22/70/1068552270.db2.gz UOJGNIAVGOEQKS-QFIPXVFZSA-N 1 0 454.622 4.467 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001358995818 1068559735 /nfs/dbraw/zinc/55/97/35/1068559735.db2.gz HAMPZYOIJWFVOB-SHQCIBLASA-N 1 0 466.633 4.028 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359002927 1068575825 /nfs/dbraw/zinc/57/58/25/1068575825.db2.gz RVLHTDFAOZAEBI-SJORKVTESA-N 1 0 462.411 4.427 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001359009834 1068586405 /nfs/dbraw/zinc/58/64/05/1068586405.db2.gz ZSORIEQTTKRLPL-XZOQPEGZSA-N 1 0 486.705 4.364 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001359013219 1068588410 /nfs/dbraw/zinc/58/84/10/1068588410.db2.gz POWRGNPQAIRGDT-UHFFFAOYSA-N 1 0 474.447 4.344 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359016254 1068598329 /nfs/dbraw/zinc/59/83/29/1068598329.db2.gz VRYCLPZYDSQKLS-JOCHJYFZSA-N 1 0 460.582 4.483 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359017227 1068600905 /nfs/dbraw/zinc/60/09/05/1068600905.db2.gz XULAWECXZXJNQY-ILBGXUMGSA-N 1 0 467.633 4.462 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCC(C)CC1 ZINC001359017587 1068603705 /nfs/dbraw/zinc/60/37/05/1068603705.db2.gz KUOWAPGOLBXSMF-UHFFFAOYSA-N 1 0 460.601 4.165 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001359017900 1068605976 /nfs/dbraw/zinc/60/59/76/1068605976.db2.gz VTCVGUFHOJMMAD-HSZRJFAPSA-N 1 0 466.630 4.287 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[NH+]1CCCCCC1 ZINC001359019528 1068612443 /nfs/dbraw/zinc/61/24/43/1068612443.db2.gz XEOCUVLQACCHTJ-UHFFFAOYSA-N 1 0 478.666 4.339 20 30 JIEDRO C#CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1cc(C)cs1 ZINC001300419173 1068623755 /nfs/dbraw/zinc/62/37/55/1068623755.db2.gz HMNQIBKJYZLEIA-UHFFFAOYSA-N 1 0 462.667 4.063 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359030483 1068637489 /nfs/dbraw/zinc/63/74/89/1068637489.db2.gz WYCBWJOMKXHRCP-RGSZASNESA-N 1 0 476.713 4.333 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359030618 1068639816 /nfs/dbraw/zinc/63/98/16/1068639816.db2.gz ZOFIFILZCWVVGE-ZCYQVOJMSA-N 1 0 462.686 4.086 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359038893 1068651419 /nfs/dbraw/zinc/65/14/19/1068651419.db2.gz ORIVHVHPONQLOO-VWLOTQADSA-N 1 0 492.712 4.165 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001359049619 1068668330 /nfs/dbraw/zinc/66/83/30/1068668330.db2.gz STOYOQPFCIRKSF-HBFSDRIKSA-N 1 0 460.047 4.111 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359049736 1068669666 /nfs/dbraw/zinc/66/96/66/1068669666.db2.gz VJNGDSUYQBRPBK-QFIPXVFZSA-N 1 0 455.672 4.179 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001300438508 1068705703 /nfs/dbraw/zinc/70/57/03/1068705703.db2.gz MUADXAZZSOWTMB-SFHVURJKSA-N 1 0 461.433 4.250 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001359065273 1068707998 /nfs/dbraw/zinc/70/79/98/1068707998.db2.gz MLHGNHLGNICHRN-KSCKTEMCSA-N 1 0 462.686 4.086 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300439323 1068708530 /nfs/dbraw/zinc/70/85/30/1068708530.db2.gz AVRJRCWJCBWUSX-SBUREZEXSA-N 1 0 474.447 4.296 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359066312 1068712151 /nfs/dbraw/zinc/71/21/51/1068712151.db2.gz WULOIFASGCZULV-IUKKYPGJSA-N 1 0 473.463 4.396 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001359071686 1068723691 /nfs/dbraw/zinc/72/36/91/1068723691.db2.gz ZDDDMHSJWKYHHP-SHQCIBLASA-N 1 0 467.633 4.137 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359072297 1068724634 /nfs/dbraw/zinc/72/46/34/1068724634.db2.gz XCDCKEVDRLDUSX-ZJSXRUAMSA-N 1 0 452.603 4.068 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359073090 1068726339 /nfs/dbraw/zinc/72/63/39/1068726339.db2.gz BWFXPVGTTWGETL-YZIHRLCOSA-N 1 0 482.698 4.020 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1([NH+](C)C)CCCCC1 ZINC001359074251 1068729853 /nfs/dbraw/zinc/72/98/53/1068729853.db2.gz WIFZZNLXHQMYNU-RUZDIDTESA-N 1 0 451.615 4.122 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359079907 1068748800 /nfs/dbraw/zinc/74/88/00/1068748800.db2.gz ZNZBLOXTLKPKGU-UHFFFAOYSA-N 1 0 468.827 4.294 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001359080247 1068750248 /nfs/dbraw/zinc/75/02/48/1068750248.db2.gz LEZVNNYOJQOQKW-UHFFFAOYSA-N 1 0 492.462 4.428 20 30 JIEDRO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001359083327 1068758033 /nfs/dbraw/zinc/75/80/33/1068758033.db2.gz HTYUHOWMYIFDTE-WOJBJXKFSA-N 1 0 460.420 4.139 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359085141 1068763631 /nfs/dbraw/zinc/76/36/31/1068763631.db2.gz CXNMUMBMGFNWOL-INIZCTEOSA-N 1 0 462.411 4.227 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001359085826 1068765914 /nfs/dbraw/zinc/76/59/14/1068765914.db2.gz AGWOMTNIGZOWHN-OAQYLSRUSA-N 1 0 473.463 4.121 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359092982 1068792616 /nfs/dbraw/zinc/79/26/16/1068792616.db2.gz ISXSFLDNJYJQEC-TZIWHRDSSA-N 1 0 475.584 4.448 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359103310 1068809274 /nfs/dbraw/zinc/80/92/74/1068809274.db2.gz MQCNRHNAIIOICX-WIOPSUGQSA-N 1 0 467.658 4.376 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359103336 1068809743 /nfs/dbraw/zinc/80/97/43/1068809743.db2.gz NAROTCFPDXPOBT-HYBUGGRVSA-N 1 0 474.049 4.270 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001359105208 1068814118 /nfs/dbraw/zinc/81/41/18/1068814118.db2.gz LKIDJIHJXNSRII-GGAORHGYSA-N 1 0 455.622 4.408 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001359108180 1068818134 /nfs/dbraw/zinc/81/81/34/1068818134.db2.gz FDJBVWOXEPZPDG-XMMPIXPASA-N 1 0 463.630 4.094 20 30 JIEDRO 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C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359244919 1069050157 /nfs/dbraw/zinc/05/01/57/1069050157.db2.gz VILRBHWULQFRNW-UHFFFAOYSA-N 1 0 459.635 4.370 20 30 JIEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 ZINC000849501735 1069075684 /nfs/dbraw/zinc/07/56/84/1069075684.db2.gz ACWCMNZRAQNVJX-RBUKOAKNSA-N 1 0 488.539 4.032 20 30 JIEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 ZINC000849501734 1069075892 /nfs/dbraw/zinc/07/58/92/1069075892.db2.gz ACWCMNZRAQNVJX-OALUTQOASA-N 1 0 488.539 4.032 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001300580704 1069115882 /nfs/dbraw/zinc/11/58/82/1069115882.db2.gz FVTRAOUAZYYWIZ-DNQXCXABSA-N 1 0 496.700 4.120 20 30 JIEDRO C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](CC)CC)C1CC1 ZINC001359250615 1069154327 /nfs/dbraw/zinc/15/43/27/1069154327.db2.gz OXAGRGILSJAACQ-WOJBJXKFSA-N 1 0 460.667 4.278 20 30 JIEDRO 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COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001300051767 1067518146 /nfs/dbraw/zinc/51/81/46/1067518146.db2.gz PADLFCAZLSIVAG-HSZRJFAPSA-N 1 0 485.430 4.108 20 30 JIEDRO COc1cc(C(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)ccc1C#N ZINC001356209324 1067691907 /nfs/dbraw/zinc/69/19/07/1067691907.db2.gz FIOBQGIZSRBKAD-UHFFFAOYSA-N 1 0 457.530 4.395 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(C#N)o2)cc1 ZINC001300119499 1067733951 /nfs/dbraw/zinc/73/39/51/1067733951.db2.gz WGCPOTQEGQASBL-UHFFFAOYSA-N 1 0 476.625 4.141 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300119982 1067735381 /nfs/dbraw/zinc/73/53/81/1067735381.db2.gz CHYBHNPJVAZDNY-AMGIVPHBSA-N 1 0 464.658 4.322 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300265556 1068035903 /nfs/dbraw/zinc/03/59/03/1068035903.db2.gz YSVSRDWIWUYHKV-NJDAHSKKSA-N 1 0 468.646 4.218 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300272262 1068053472 /nfs/dbraw/zinc/05/34/72/1068053472.db2.gz AOKHMPMGLFCTMP-JQVVWYNYSA-N 1 0 451.546 4.445 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300274556 1068057795 /nfs/dbraw/zinc/05/77/95/1068057795.db2.gz LFFAYNCXMUJNIC-RBBKRZOGSA-N 1 0 467.658 4.382 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CC[NH+](C)CC1 ZINC001300280727 1068071805 /nfs/dbraw/zinc/07/18/05/1068071805.db2.gz AJYLADMEYGPJSS-QZTJIDSGSA-N 1 0 457.713 4.417 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300313358 1068202903 /nfs/dbraw/zinc/20/29/03/1068202903.db2.gz GGRQDKANLHOGDP-QFIPXVFZSA-N 1 0 451.684 4.387 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001300316676 1068213568 /nfs/dbraw/zinc/21/35/68/1068213568.db2.gz BKMUJVMAAKCZIJ-DHIUTWEWSA-N 1 0 484.639 4.316 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001300317133 1068215040 /nfs/dbraw/zinc/21/50/40/1068215040.db2.gz KPFXBRAIPMUXQV-XJUOHMSHSA-N 1 0 488.602 4.394 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300317136 1068215364 /nfs/dbraw/zinc/21/53/64/1068215364.db2.gz KRJKJXVJZOYQDF-JOCHJYFZSA-N 1 0 481.710 4.282 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300321837 1068238787 /nfs/dbraw/zinc/23/87/87/1068238787.db2.gz OKBYXSQYMPAJEB-CLOONOSVSA-N 1 0 455.672 4.050 20 30 JIEDRO CN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000517965660 1068300457 /nfs/dbraw/zinc/30/04/57/1068300457.db2.gz MIBPFBHNKWHFNF-UHFFFAOYSA-N 1 0 493.662 4.268 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001300337314 1068313534 /nfs/dbraw/zinc/31/35/34/1068313534.db2.gz YYBSTZHHMDKIID-VWLOTQADSA-N 1 0 490.696 4.435 20 30 JIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1cccc(Br)c1C#N ZINC001353548106 1068313671 /nfs/dbraw/zinc/31/36/71/1068313671.db2.gz VPRLOPFFLJMVNZ-QGZVFWFLSA-N 1 0 456.384 4.390 20 30 JIEDRO C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300349101 1068354273 /nfs/dbraw/zinc/35/42/73/1068354273.db2.gz VGTNAIKSUWEZPH-UHFFFAOYSA-N 1 0 453.631 4.465 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001358876538 1068373807 /nfs/dbraw/zinc/37/38/07/1068373807.db2.gz LOTVJRCHOFCPFT-DOTOQJQBSA-N 1 0 450.400 4.281 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358879198 1068377342 /nfs/dbraw/zinc/37/73/42/1068377342.db2.gz MOHYEJHRWQHZTG-HTAPYJJXSA-N 1 0 462.013 4.333 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358879355 1068377642 /nfs/dbraw/zinc/37/76/42/1068377642.db2.gz PPVBFACZYVLZDH-FDFHNCONSA-N 1 0 491.636 4.463 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001358880671 1068379822 /nfs/dbraw/zinc/37/98/22/1068379822.db2.gz QNFQQRRLPLTFEX-KDOFPFPSSA-N 1 0 460.351 4.201 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001358881794 1068381084 /nfs/dbraw/zinc/38/10/84/1068381084.db2.gz NJHPOHLVSFWPGN-LEWJYISDSA-N 1 0 453.631 4.321 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001358887969 1068384759 /nfs/dbraw/zinc/38/47/59/1068384759.db2.gz FTPDBSGYNIFWCZ-ZJSXRUAMSA-N 1 0 494.684 4.351 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358888901 1068385822 /nfs/dbraw/zinc/38/58/22/1068385822.db2.gz UBIDVIJYVXCENB-GSPCLOLRSA-N 1 0 486.705 4.219 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001358890488 1068387670 /nfs/dbraw/zinc/38/76/70/1068387670.db2.gz QDUXRLXEZBKNDT-NFBKMPQASA-N 1 0 492.697 4.055 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358899863 1068397081 /nfs/dbraw/zinc/39/70/81/1068397081.db2.gz WVPWNSHWDREOQM-FHWLQOOXSA-N 1 0 472.659 4.172 20 30 JIEDRO C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001358904873 1068411195 /nfs/dbraw/zinc/41/11/95/1068411195.db2.gz NJKXQXNJJCFFSS-LOSJGSFVSA-N 1 0 478.685 4.055 20 30 JIEDRO C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001358933856 1068480228 /nfs/dbraw/zinc/48/02/28/1068480228.db2.gz GSFUWPLEHIKGMS-HXUWFJFHSA-N 1 0 472.431 4.098 20 30 JIEDRO C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001358934416 1068482318 /nfs/dbraw/zinc/48/23/18/1068482318.db2.gz AOVPYDIDLTXXBD-SFHVURJKSA-N 1 0 492.451 4.267 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300386635 1068489207 /nfs/dbraw/zinc/48/92/07/1068489207.db2.gz RUUGZZAANXEXAG-HXUWFJFHSA-N 1 0 481.442 4.407 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001358942515 1068494991 /nfs/dbraw/zinc/49/49/91/1068494991.db2.gz YBVOQDIRNKQAGO-UHFFFAOYSA-N 1 0 463.651 4.334 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358971436 1068513860 /nfs/dbraw/zinc/51/38/60/1068513860.db2.gz VNJHIVODNVOFLO-VXKWHMMOSA-N 1 0 454.622 4.243 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001358971829 1068515065 /nfs/dbraw/zinc/51/50/65/1068515065.db2.gz KJWJPGBTOOOEIC-HXUWFJFHSA-N 1 0 498.469 4.301 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001358972231 1068516108 /nfs/dbraw/zinc/51/61/08/1068516108.db2.gz YEBLLGHVDSGDKL-PWRODBHTSA-N 1 0 479.694 4.092 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358972230 1068516532 /nfs/dbraw/zinc/51/65/32/1068516532.db2.gz YEBLLGHVDSGDKL-PCCBWWKXSA-N 1 0 479.694 4.092 20 30 JIEDRO C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001300393998 1068521312 /nfs/dbraw/zinc/52/13/12/1068521312.db2.gz KVHOKOOINRLBRS-NRFANRHFSA-N 1 0 465.642 4.467 20 30 JIEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001358984006 1068533173 /nfs/dbraw/zinc/53/31/73/1068533173.db2.gz FFJBHVOTUMWZER-RUZDIDTESA-N 1 0 474.653 4.121 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@H+](C)C1CCCC1 ZINC001358986174 1068536242 /nfs/dbraw/zinc/53/62/42/1068536242.db2.gz PFRWKUFVKTVEBG-HXUWFJFHSA-N 1 0 454.018 4.409 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001358988182 1068546017 /nfs/dbraw/zinc/54/60/17/1068546017.db2.gz GOGYVRVXDDOGHW-HXUWFJFHSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001358988473 1068546959 /nfs/dbraw/zinc/54/69/59/1068546959.db2.gz QNACMSOCPKWHOE-FQEVSTJZSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC1CC[NH+](CC)CC1 ZINC001358989604 1068550849 /nfs/dbraw/zinc/55/08/49/1068550849.db2.gz IZGQEFFDRONVRC-UHFFFAOYSA-N 1 0 498.469 4.301 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358990903 1068554387 /nfs/dbraw/zinc/55/43/87/1068554387.db2.gz GWIDAQGEACAZPN-LXFBAYGMSA-N 1 0 469.637 4.104 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001358993461 1068557001 /nfs/dbraw/zinc/55/70/01/1068557001.db2.gz NQYCYMAYYVJZPM-BJKOFHAPSA-N 1 0 496.700 4.120 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001358995816 1068559523 /nfs/dbraw/zinc/55/95/23/1068559523.db2.gz HAMPZYOIJWFVOB-IGKIAQTJSA-N 1 0 466.633 4.028 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001358996734 1068561118 /nfs/dbraw/zinc/56/11/18/1068561118.db2.gz PQBUMSXTBGGMQZ-QHCPKHFHSA-N 1 0 456.638 4.468 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358997681 1068563896 /nfs/dbraw/zinc/56/38/96/1068563896.db2.gz AQYWUZJOFOJTKE-QHCPKHFHSA-N 1 0 463.601 4.256 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001358999577 1068570274 /nfs/dbraw/zinc/57/02/74/1068570274.db2.gz WBUVWOVFEGWQHB-KMDXXIMOSA-N 1 0 496.700 4.024 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359001589 1068570968 /nfs/dbraw/zinc/57/09/68/1068570968.db2.gz YBGZZXBVESXSRB-HXUWFJFHSA-N 1 0 471.646 4.378 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359003835 1068578125 /nfs/dbraw/zinc/57/81/25/1068578125.db2.gz ZFCPZFMBFFXJIN-MRXNPFEDSA-N 1 0 450.450 4.493 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359005088 1068580816 /nfs/dbraw/zinc/58/08/16/1068580816.db2.gz VLCHVWMGYXRCEO-QGZVFWFLSA-N 1 0 450.400 4.283 20 30 JIEDRO C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359009281 1068584651 /nfs/dbraw/zinc/58/46/51/1068584651.db2.gz LYEKRRYUYSKUSW-HXUWFJFHSA-N 1 0 486.686 4.217 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359016372 1068599027 /nfs/dbraw/zinc/59/90/27/1068599027.db2.gz ACZWCJZZYZCVRD-SFTDATJTSA-N 1 0 455.622 4.145 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359016696 1068599910 /nfs/dbraw/zinc/59/99/10/1068599910.db2.gz KAXHRZJUALHRKI-LADGPHEKSA-N 1 0 453.606 4.216 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359017322 1068601776 /nfs/dbraw/zinc/60/17/76/1068601776.db2.gz AAPWLFNTTODLKV-RUZDIDTESA-N 1 0 460.601 4.307 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001359019368 1068611042 /nfs/dbraw/zinc/61/10/42/1068611042.db2.gz SQEPUPRJBNMYHS-HXUWFJFHSA-N 1 0 488.474 4.162 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359020671 1068618436 /nfs/dbraw/zinc/61/84/36/1068618436.db2.gz MBDAYIQWGMFQLF-YADARESESA-N 1 0 488.474 4.304 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001359021104 1068621521 /nfs/dbraw/zinc/62/15/21/1068621521.db2.gz BOBLFUDYAIAHHB-HSZRJFAPSA-N 1 0 479.028 4.225 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359042550 1068659208 /nfs/dbraw/zinc/65/92/08/1068659208.db2.gz LEWLCVNNPXKBMB-UHFFFAOYSA-N 1 0 497.087 4.221 20 30 JIEDRO C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300430075 1068678155 /nfs/dbraw/zinc/67/81/55/1068678155.db2.gz GWKDZRRQMLUYFD-SFTDATJTSA-N 1 0 474.049 4.259 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359063899 1068705938 /nfs/dbraw/zinc/70/59/38/1068705938.db2.gz GWONCRJCKQPFAS-NFQMXDRXSA-N 1 0 483.632 4.439 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[N@@H+](C)[C@H](C)CC ZINC001359067448 1068716565 /nfs/dbraw/zinc/71/65/65/1068716565.db2.gz NPCPWQWTDGDVAU-FQRUVTKNSA-N 1 0 453.631 4.463 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)[NH+](CC)CC ZINC001359067606 1068717508 /nfs/dbraw/zinc/71/75/08/1068717508.db2.gz UZOHARHEBHPBLD-RXFWQSSRSA-N 1 0 453.631 4.463 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC[NH+]1CCCCC1 ZINC001359067623 1068717632 /nfs/dbraw/zinc/71/76/32/1068717632.db2.gz VSOTWBUWZIOAHZ-AREMUKBSSA-N 1 0 451.615 4.221 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359072252 1068724621 /nfs/dbraw/zinc/72/46/21/1068724621.db2.gz VLILMXUARCVTOJ-ZYLNGJIFSA-N 1 0 454.688 4.384 20 30 JIEDRO C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359084265 1068760399 /nfs/dbraw/zinc/76/03/99/1068760399.db2.gz CGKVBMQEPPNLMH-MRXNPFEDSA-N 1 0 468.390 4.224 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359084393 1068761049 /nfs/dbraw/zinc/76/10/49/1068761049.db2.gz GGPCZSYTFKFWQV-FQEVSTJZSA-N 1 0 490.446 4.257 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359091434 1068786482 /nfs/dbraw/zinc/78/64/82/1068786482.db2.gz NHRFOBAKJLQGAS-MZKRTTBSSA-N 1 0 471.621 4.459 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359095784 1068800365 /nfs/dbraw/zinc/80/03/65/1068800365.db2.gz RRURGHFBIZKLEQ-NLFFAJNJSA-N 1 0 483.657 4.254 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359096121 1068801606 /nfs/dbraw/zinc/80/16/06/1068801606.db2.gz XFZBLUTYSQHACV-PXDATVDWSA-N 1 0 483.657 4.300 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359104911 1068812505 /nfs/dbraw/zinc/81/25/05/1068812505.db2.gz HIGZYQJMKGCAGF-GBXCKJPGSA-N 1 0 471.671 4.091 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001359105210 1068814049 /nfs/dbraw/zinc/81/40/49/1068814049.db2.gz LKIDJIHJXNSRII-JTHBVZDNSA-N 1 0 455.622 4.408 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359106142 1068815872 /nfs/dbraw/zinc/81/58/72/1068815872.db2.gz YFRGNTVBJLKJIU-BGGLGKGRSA-N 1 0 467.658 4.285 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359109363 1068819816 /nfs/dbraw/zinc/81/98/16/1068819816.db2.gz YGUCJEZRBVCDPD-QFIPXVFZSA-N 1 0 450.052 4.447 20 30 JIEDRO C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359115343 1068824934 /nfs/dbraw/zinc/82/49/34/1068824934.db2.gz VJZCUGAGGGCLHL-UHFFFAOYSA-N 1 0 451.644 4.348 20 30 JIEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001359120351 1068831916 /nfs/dbraw/zinc/83/19/16/1068831916.db2.gz ZIMHWXIJBWEYOR-GOSISDBHSA-N 1 0 462.436 4.221 20 30 JIEDRO C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001359142042 1068851534 /nfs/dbraw/zinc/85/15/34/1068851534.db2.gz ZMTBBGGUPFGXSZ-UHFFFAOYSA-N 1 0 480.016 4.026 20 30 JIEDRO C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001359155419 1068865791 /nfs/dbraw/zinc/86/57/91/1068865791.db2.gz XFMIMXYYOFAUIF-UHFFFAOYSA-N 1 0 498.075 4.487 20 30 JIEDRO C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359158149 1068869996 /nfs/dbraw/zinc/86/99/96/1068869996.db2.gz HJFZHSJINAXAKT-HXUWFJFHSA-N 1 0 471.049 4.138 20 30 JIEDRO C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359172943 1068884973 /nfs/dbraw/zinc/88/49/73/1068884973.db2.gz OJMNUBUMXZFQBJ-QFIPXVFZSA-N 1 0 450.631 4.282 20 30 JIEDRO C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001359174466 1068886291 /nfs/dbraw/zinc/88/62/91/1068886291.db2.gz DQWVIWVQKCPLRC-MHZLTWQESA-N 1 0 473.706 4.479 20 30 JIEDRO C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359174785 1068887122 /nfs/dbraw/zinc/88/71/22/1068887122.db2.gz OQWZTIJFGKBNND-GJZUVCINSA-N 1 0 459.679 4.233 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300511497 1068889641 /nfs/dbraw/zinc/88/96/41/1068889641.db2.gz JMYXDEAHHJYAOR-LOSJGSFVSA-N 1 0 461.654 4.476 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300512254 1068891628 /nfs/dbraw/zinc/89/16/28/1068891628.db2.gz SYTZHLAVEANFLU-LJQANCHMSA-N 1 0 484.442 4.054 20 30 JIEDRO C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359182716 1068907189 /nfs/dbraw/zinc/90/71/89/1068907189.db2.gz RFWGFJZAELXTJB-FDFHNCONSA-N 1 0 472.678 4.183 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCCCC1 ZINC001300522656 1068918226 /nfs/dbraw/zinc/91/82/26/1068918226.db2.gz LLUJSMFSTSJMKU-UHFFFAOYSA-N 1 0 454.416 4.045 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001359187994 1068923081 /nfs/dbraw/zinc/92/30/81/1068923081.db2.gz CZSLWBJZBOCIQT-XMMPIXPASA-N 1 0 466.674 4.380 20 30 JIEDRO C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359191391 1068935358 /nfs/dbraw/zinc/93/53/58/1068935358.db2.gz XLWQPGWGIQZDDM-YADHBBJMSA-N 1 0 456.679 4.094 20 30 JIEDRO C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001359200360 1068978094 /nfs/dbraw/zinc/97/80/94/1068978094.db2.gz BXZVDZVNBNXLRC-SFHVURJKSA-N 1 0 462.436 4.221 20 30 JIEDRO C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359209197 1068989179 /nfs/dbraw/zinc/98/91/79/1068989179.db2.gz FDPZFFDVEQGDAU-SFHVURJKSA-N 1 0 474.447 4.363 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001300549112 1068994038 /nfs/dbraw/zinc/99/40/38/1068994038.db2.gz XYCDCBMYLFMEHU-VWLOTQADSA-N 1 0 471.605 4.367 20 30 JIEDRO C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC=C(Br)C1 ZINC001359218788 1069003528 /nfs/dbraw/zinc/00/35/28/1069003528.db2.gz VLZDCDLZHYMTME-UHFFFAOYSA-N 1 0 485.474 4.098 20 30 JIEDRO C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001359218560 1069003792 /nfs/dbraw/zinc/00/37/92/1069003792.db2.gz NCRNARNDOIHPFX-MUUNZHRXSA-N 1 0 480.701 4.250 20 30 JIEDRO C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359219882 1069007549 /nfs/dbraw/zinc/00/75/49/1069007549.db2.gz GPBWIMLKZYEKAX-FQEVSTJZSA-N 1 0 460.022 4.025 20 30 JIEDRO C=CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359221228 1069009798 /nfs/dbraw/zinc/00/97/98/1069009798.db2.gz VFRGFMDINBILGJ-BGYRXZFFSA-N 1 0 460.667 4.326 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[NH+]1CCC(C)CC1 ZINC001300559362 1069025031 /nfs/dbraw/zinc/02/50/31/1069025031.db2.gz PCDKPOJJQDGSCT-UHFFFAOYSA-N 1 0 454.622 4.387 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1CCC1CC[NH+](CC)CC1 ZINC001300559767 1069026950 /nfs/dbraw/zinc/02/69/50/1069026950.db2.gz ZNWMALHESZFREH-UHFFFAOYSA-N 1 0 454.622 4.387 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[NH+]1CCN(CC)CC1 ZINC001359234257 1069032087 /nfs/dbraw/zinc/03/20/87/1069032087.db2.gz JVGYPVLBALQUGU-UHFFFAOYSA-N 1 0 481.870 4.011 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359234395 1069032136 /nfs/dbraw/zinc/03/21/36/1069032136.db2.gz OBDCOUVPNOQLQE-CALCHBBNSA-N 1 0 462.436 4.218 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359235163 1069034016 /nfs/dbraw/zinc/03/40/16/1069034016.db2.gz PLGBOJKSZUGGMM-UHFFFAOYSA-N 1 0 468.646 4.461 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001300565706 1069053503 /nfs/dbraw/zinc/05/35/03/1069053503.db2.gz VGRRIORDXKXTFV-UHFFFAOYSA-N 1 0 498.096 4.432 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300569154 1069069917 /nfs/dbraw/zinc/06/99/17/1069069917.db2.gz DFXJYDHUCQWXMZ-NRFANRHFSA-N 1 0 498.469 4.444 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001300569363 1069070777 /nfs/dbraw/zinc/07/07/77/1069070777.db2.gz IOVUZQUMOQDLDQ-GOSISDBHSA-N 1 0 472.406 4.042 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300569227 1069070829 /nfs/dbraw/zinc/07/08/29/1069070829.db2.gz HBJMHTRWISJGRR-XMMPIXPASA-N 1 0 475.637 4.222 20 30 JIEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849500080 1069071290 /nfs/dbraw/zinc/07/12/90/1069071290.db2.gz WWOIWANHKHMPKW-PKTZIBPZSA-N 1 0 458.566 4.240 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300572634 1069084319 /nfs/dbraw/zinc/08/43/19/1069084319.db2.gz YRLOVWXXVSRIQN-QHCPKHFHSA-N 1 0 454.622 4.324 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300587375 1069136701 /nfs/dbraw/zinc/13/67/01/1069136701.db2.gz UKGMYPYTWABKIF-KCWPFWIISA-N 1 0 487.673 4.485 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300590802 1069153459 /nfs/dbraw/zinc/15/34/59/1069153459.db2.gz FQYMWWMIZAMAOQ-QHCPKHFHSA-N 1 0 461.654 4.349 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCCC[NH+]1CCC(C)CC1 ZINC001300591653 1069156903 /nfs/dbraw/zinc/15/69/03/1069156903.db2.gz UHBVVPHSOARXHW-UHFFFAOYSA-N 1 0 456.638 4.256 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001300604082 1069194124 /nfs/dbraw/zinc/19/41/24/1069194124.db2.gz CKTJHYLFKKVXCU-UHFFFAOYSA-N 1 0 481.442 4.332 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)[C@@H](c2cnn(C)c2)C1 ZINC000849602866 1069260713 /nfs/dbraw/zinc/26/07/13/1069260713.db2.gz BLMFFOHWDXJTAQ-BULFRSBZSA-N 1 0 461.532 4.194 20 30 JIEDRO 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JIEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756309 720892778 /nfs/dbraw/zinc/89/27/78/720892778.db2.gz POCROVMGUVOOOW-QPPBQGQZSA-N 1 0 487.982 4.302 20 30 JIEDRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)cc1C#N ZINC001164754271 720936578 /nfs/dbraw/zinc/93/65/78/720936578.db2.gz VSERCPKDGSRLLG-WIOPSUGQSA-N 1 0 452.002 4.065 20 30 JIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164871439 721192933 /nfs/dbraw/zinc/19/29/33/721192933.db2.gz ZRDJWXDHEXBJPU-LEWJYISDSA-N 1 0 496.949 4.088 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164786843 721451489 /nfs/dbraw/zinc/45/14/89/721451489.db2.gz NYXSDWDMDJHFGO-CLJLJLNGSA-N 1 0 489.664 4.174 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164789942 721470953 /nfs/dbraw/zinc/47/09/53/721470953.db2.gz PFVPXBFXPNJERX-JOCHJYFZSA-N 1 0 469.029 4.494 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)CCCC3(C)C)CC2 ZINC001164790685 721472980 /nfs/dbraw/zinc/47/29/80/721472980.db2.gz UVKHUPKSMMDSQD-DEOSSOPVSA-N 1 0 466.670 4.301 20 30 JIEDRO N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)cc1 ZINC001164905443 721556303 /nfs/dbraw/zinc/55/63/03/721556303.db2.gz HMFCVAYNAJVASI-ZEQKJWHPSA-N 1 0 458.537 4.208 20 30 JIEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001164903119 721564937 /nfs/dbraw/zinc/56/49/37/721564937.db2.gz ARQMBVRVRAPFDW-NQIIRXRSSA-N 1 0 465.916 4.275 20 30 JIEDRO N#Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164905604 721702775 /nfs/dbraw/zinc/70/27/75/721702775.db2.gz KAYPVHBCBDQMOY-LJQANCHMSA-N 1 0 453.871 4.284 20 30 JIEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907755 721713783 /nfs/dbraw/zinc/71/37/83/721713783.db2.gz TYGOOUHJIMOWTA-VWLOTQADSA-N 1 0 498.650 4.230 20 30 JIEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)CC3)C2)cc1 ZINC001164939407 721928925 /nfs/dbraw/zinc/92/89/25/721928925.db2.gz KIRVSYNFYFLFOO-UHFFFAOYSA-N 1 0 461.610 4.118 20 30 JIEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164966376 722061770 /nfs/dbraw/zinc/06/17/70/722061770.db2.gz RSHWNNCPFNWSLG-UHFFFAOYSA-N 1 0 490.995 4.308 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C[NH+](C)C ZINC001300643986 1069314257 /nfs/dbraw/zinc/31/42/57/1069314257.db2.gz WNNMQQCMFCOWBM-UHFFFAOYSA-N 1 0 487.421 4.402 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300656152 1069351021 /nfs/dbraw/zinc/35/10/21/1069351021.db2.gz ALLKCFVMDUWPFM-ISKFKSNPSA-N 1 0 474.634 4.047 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359315708 1069364974 /nfs/dbraw/zinc/36/49/74/1069364974.db2.gz AHAVPNXUUIBVRM-QUCCMNQESA-N 1 0 460.022 4.120 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359323256 1069375447 /nfs/dbraw/zinc/37/54/47/1069375447.db2.gz KSYBBANDOYMENG-FYYLOGMGSA-N 1 0 467.658 4.169 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001359326057 1069382660 /nfs/dbraw/zinc/38/26/60/1069382660.db2.gz RRZLTKQTHVFYOZ-IRLDBZIGSA-N 1 0 460.022 4.166 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300664953 1069384575 /nfs/dbraw/zinc/38/45/75/1069384575.db2.gz WLFCXAARYIWZNW-JIPXPUAJSA-N 1 0 462.642 4.033 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc3cccnc32)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300664853 1069384619 /nfs/dbraw/zinc/38/46/19/1069384619.db2.gz FXIUZMKHCIMYCR-KDYSTLNUSA-N 1 0 460.626 4.090 20 30 JIEDRO C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359342383 1069407278 /nfs/dbraw/zinc/40/72/78/1069407278.db2.gz WILGKUGYAWFXGM-JOCHJYFZSA-N 1 0 459.635 4.290 20 30 JIEDRO C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359344678 1069412097 /nfs/dbraw/zinc/41/20/97/1069412097.db2.gz GDCKYZMEDHDDBT-JTHBVZDNSA-N 1 0 454.688 4.274 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359467864 1069606229 /nfs/dbraw/zinc/60/62/29/1069606229.db2.gz ZSLAMFHPVKDARN-JLHGSKIFSA-N 1 0 463.051 4.105 20 30 JIEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001359468125 1069607545 /nfs/dbraw/zinc/60/75/45/1069607545.db2.gz FSFPWPHHJGADSF-LJQANCHMSA-N 1 0 470.687 4.107 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359468501 1069609814 /nfs/dbraw/zinc/60/98/14/1069609814.db2.gz MHHXQRFLHYDLOC-SFTDATJTSA-N 1 0 452.647 4.339 20 30 JIEDRO 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 ZINC001359473355 1069622650 /nfs/dbraw/zinc/62/26/50/1069622650.db2.gz AKXRULJHCYRLBK-FPOVZHCZSA-N 1 0 487.693 4.109 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359473241 1069622766 /nfs/dbraw/zinc/62/27/66/1069622766.db2.gz ZDAOGZANWASTOD-FSSWDIPSSA-N 1 0 487.693 4.109 20 30 JIEDRO CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359544186 1069843086 /nfs/dbraw/zinc/84/30/86/1069843086.db2.gz HEETUECSCHEMER-UHFFFAOYSA-N 1 0 450.631 4.192 20 30 JIEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001359546666 1069850814 /nfs/dbraw/zinc/85/08/14/1069850814.db2.gz MINODSRTODPXGW-MHZLTWQESA-N 1 0 464.658 4.316 20 30 JIEDRO CC(C)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC001359597950 1070053856 /nfs/dbraw/zinc/05/38/56/1070053856.db2.gz JHKIRSWHOZHIGT-IBGZPJMESA-N 1 0 475.062 4.217 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315621341 1064756329 /nfs/dbraw/zinc/75/63/29/1064756329.db2.gz DHMJPZRGRPETNL-RTWAWAEBSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001315663060 1064868313 /nfs/dbraw/zinc/86/83/13/1064868313.db2.gz GMVRYUDWDDKUMI-GBXCKJPGSA-N 1 0 472.634 4.141 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001315704635 1064971839 /nfs/dbraw/zinc/97/18/39/1064971839.db2.gz IAYTUNHZPSEUKP-IBGZPJMESA-N 1 0 484.620 4.187 20 30 JIEDRO COCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001315767719 1065086942 /nfs/dbraw/zinc/08/69/42/1065086942.db2.gz FAYXPQMBNBKXBF-UHFFFAOYSA-N 1 0 452.647 4.123 20 30 JIEDRO COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001315791656 1065132669 /nfs/dbraw/zinc/13/26/69/1065132669.db2.gz DHAOBOFYBWLTGM-AKFKNWHVSA-N 1 0 480.657 4.102 20 30 JIEDRO COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001315832774 1065200100 /nfs/dbraw/zinc/20/01/00/1065200100.db2.gz MIXHZWCUDBZCNR-UHFFFAOYSA-N 1 0 450.631 4.336 20 30 JIEDRO COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001315834522 1065207464 /nfs/dbraw/zinc/20/74/64/1065207464.db2.gz YQNNMWLELYSOEF-QFIPXVFZSA-N 1 0 494.684 4.492 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315887205 1065337388 /nfs/dbraw/zinc/33/73/88/1065337388.db2.gz IGGXZMPPGALWSD-WPFOTENUSA-N 1 0 480.657 4.102 20 30 JIEDRO COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992848 1065567395 /nfs/dbraw/zinc/56/73/95/1065567395.db2.gz JLNQASKAOFNUSI-QPPBQGQZSA-N 1 0 450.631 4.190 20 30 JIEDRO COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001316051748 1065674790 /nfs/dbraw/zinc/67/47/90/1065674790.db2.gz LOEXLMXPBYYNSZ-SKCUWOTOSA-N 1 0 494.684 4.349 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001316085566 1065737239 /nfs/dbraw/zinc/73/72/39/1065737239.db2.gz BJMCGOWYHOIUGL-XMMPIXPASA-N 1 0 466.674 4.468 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001316086315 1065738554 /nfs/dbraw/zinc/73/85/54/1065738554.db2.gz LYFKYCBAQXTYQI-QHCPKHFHSA-N 1 0 487.652 4.294 20 30 JIEDRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1C ZINC001316126409 1065798368 /nfs/dbraw/zinc/79/83/68/1065798368.db2.gz WZTZYIQHQFDPDF-DZFGPLHGSA-N 1 0 476.547 4.267 20 30 JIEDRO C[NH+](C)CCCn1c(SCCC(=O)Nc2cccc(C#N)c2)nc2sc3c(c2c1=O)CCCC3 ZINC001325213530 1066239725 /nfs/dbraw/zinc/23/97/25/1066239725.db2.gz FAIKLYLMQUFYJB-UHFFFAOYSA-N 1 0 495.674 4.281 20 30 JIEDRO CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001316430112 1066263387 /nfs/dbraw/zinc/26/33/87/1066263387.db2.gz KGFBSDGCGZUETB-HSZRJFAPSA-N 1 0 468.671 4.183 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC001350522012 1066967649 /nfs/dbraw/zinc/96/76/49/1066967649.db2.gz HRKDQWYEQVYGCW-UHFFFAOYSA-N 1 0 452.299 4.126 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300692305 1067041784 /nfs/dbraw/zinc/04/17/84/1067041784.db2.gz CXLWHMMFGKTIPK-QFIPXVFZSA-N 1 0 467.017 4.030 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001300707277 1067075626 /nfs/dbraw/zinc/07/56/26/1067075626.db2.gz CXOBUPPJKINDNS-VXKWHMMOSA-N 1 0 453.606 4.182 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001300785682 1067347359 /nfs/dbraw/zinc/34/73/59/1067347359.db2.gz BBHXTDAUCOKPPB-RWCIVJTCSA-N 1 0 465.642 4.140 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001300786958 1067350338 /nfs/dbraw/zinc/35/03/38/1067350338.db2.gz STXLQMSHNNEGBV-SFHVURJKSA-N 1 0 459.038 4.008 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001300786948 1067350379 /nfs/dbraw/zinc/35/03/79/1067350379.db2.gz STXLQMSHNNEGBV-GOSISDBHSA-N 1 0 459.038 4.008 20 30 JIEDRO COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300016764 1067376739 /nfs/dbraw/zinc/37/67/39/1067376739.db2.gz FBHDSSYOUMVJAR-HSZRJFAPSA-N 1 0 466.630 4.213 20 30 JIEDRO COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300041367 1067468427 /nfs/dbraw/zinc/46/84/27/1067468427.db2.gz QMCJGQHRVMFGQC-BVFVYWQFSA-N 1 0 484.620 4.162 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300050888 1067511301 /nfs/dbraw/zinc/51/13/01/1067511301.db2.gz VUVRZOODRPJAON-KBMIEXCESA-N 1 0 480.638 4.457 20 30 JIEDRO C=CCOc1c(Br)cc(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1OC ZINC001200134907 1067725236 /nfs/dbraw/zinc/72/52/36/1067725236.db2.gz BKQJJXUPQBGJHB-UHFFFAOYSA-N 1 0 459.384 4.482 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2ccc(C(=O)N3CCN(C)CC3)cc2)Nc2ccccc2)cc1 ZINC000849060454 1067789930 /nfs/dbraw/zinc/78/99/30/1067789930.db2.gz ZCZCRDVZPPMCFK-UHFFFAOYSA-N 1 0 455.606 4.141 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001357130309 1067807944 /nfs/dbraw/zinc/80/79/44/1067807944.db2.gz SZYMNSIFWQGEQC-QHCPKHFHSA-N 1 0 450.583 4.105 20 30 JIEDRO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(Cl)c([N+](=O)[O-])c1 ZINC001357296589 1067831693 /nfs/dbraw/zinc/83/16/93/1067831693.db2.gz VVDOARWGIMJYAI-IAGOWNOFSA-N 1 0 467.938 4.431 20 30 JIEDRO CCC[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001357607965 1067876869 /nfs/dbraw/zinc/87/68/69/1067876869.db2.gz KHYWCEUHRRXANC-GOTSBHOMSA-N 1 0 456.631 4.477 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001300271500 1068052199 /nfs/dbraw/zinc/05/21/99/1068052199.db2.gz LNSMAZQRBUKLET-NRFANRHFSA-N 1 0 480.638 4.360 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001300275858 1068058746 /nfs/dbraw/zinc/05/87/46/1068058746.db2.gz BBTNWSURXXEKBN-NQIIRXRSSA-N 1 0 481.442 4.169 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300277779 1068064250 /nfs/dbraw/zinc/06/42/50/1068064250.db2.gz MJKXGTZXZNNLFX-OAQYLSRUSA-N 1 0 466.630 4.260 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300280763 1068072054 /nfs/dbraw/zinc/07/20/54/1068072054.db2.gz FSVMSWYJSWXWNA-HZPDHXFCSA-N 1 0 450.450 4.492 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001300285209 1068082958 /nfs/dbraw/zinc/08/29/58/1068082958.db2.gz YGERDVKYKJVWHA-HNNXBMFYSA-N 1 0 472.353 4.440 20 30 JIEDRO 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 ZINC001300302612 1068144811 /nfs/dbraw/zinc/14/48/11/1068144811.db2.gz CLJGUXRULDLLBP-YTFSRNRJSA-N 1 0 486.705 4.219 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001300302911 1068146762 /nfs/dbraw/zinc/14/67/62/1068146762.db2.gz FINZPGWRMCGSMW-VXKWHMMOSA-N 1 0 489.668 4.178 20 30 JIEDRO C[C@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[N@@H+]1CCc2ccccc2C1 ZINC000510236751 1068162917 /nfs/dbraw/zinc/16/29/17/1068162917.db2.gz NVIXZYZXXJZTPX-MRXNPFEDSA-N 1 0 464.620 4.270 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300325066 1068249760 /nfs/dbraw/zinc/24/97/60/1068249760.db2.gz RYINYSGJPOOSPO-OAQYLSRUSA-N 1 0 483.682 4.075 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CC[NH+](CC)CC1 ZINC001358872042 1068365962 /nfs/dbraw/zinc/36/59/62/1068365962.db2.gz NTBIXZHRGLTBQN-VXKWHMMOSA-N 1 0 487.092 4.174 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CC[NH+](CC)CC1 ZINC001358872043 1068366187 /nfs/dbraw/zinc/36/61/87/1068366187.db2.gz NTBIXZHRGLTBQN-YADHBBJMSA-N 1 0 487.092 4.174 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358875009 1068368937 /nfs/dbraw/zinc/36/89/37/1068368937.db2.gz HSIFKNJASUEQMC-UZLBHIALSA-N 1 0 455.404 4.105 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001358875008 1068369219 /nfs/dbraw/zinc/36/92/19/1068369219.db2.gz HSIFKNJASUEQMC-OXQOHEQNSA-N 1 0 455.404 4.105 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001358881796 1068380678 /nfs/dbraw/zinc/38/06/78/1068380678.db2.gz NJHPOHLVSFWPGN-RTWAWAEBSA-N 1 0 453.631 4.321 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCCC[NH+]1CCC(C)CC1 ZINC001358885669 1068384096 /nfs/dbraw/zinc/38/40/96/1068384096.db2.gz OEMKTZZLUKUGRB-QFIPXVFZSA-N 1 0 489.668 4.035 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001358897976 1068392907 /nfs/dbraw/zinc/39/29/07/1068392907.db2.gz JWPZPIPORMVOPW-BTYIYWSLSA-N 1 0 468.454 4.059 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001358899673 1068396229 /nfs/dbraw/zinc/39/62/29/1068396229.db2.gz RUWAWLUCKJZFQT-GBESFXJTSA-N 1 0 462.063 4.181 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358899644 1068396452 /nfs/dbraw/zinc/39/64/52/1068396452.db2.gz QXVNVSFXIHEQGR-IBGZPJMESA-N 1 0 474.074 4.327 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[N@H+]2CCCC[C@@H]2CC)c1 ZINC001358903276 1068407076 /nfs/dbraw/zinc/40/70/76/1068407076.db2.gz QNQHTXZCSAAPHC-VWLOTQADSA-N 1 0 476.669 4.332 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001358903295 1068407176 /nfs/dbraw/zinc/40/71/76/1068407176.db2.gz RARSHBZLSVKUAA-SFTDATJTSA-N 1 0 476.669 4.043 20 30 JIEDRO C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001358905436 1068413033 /nfs/dbraw/zinc/41/30/33/1068413033.db2.gz ZQEKWFKSGLXHNB-FTJBHMTQSA-N 1 0 462.686 4.228 20 30 JIEDRO C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001358912644 1068434122 /nfs/dbraw/zinc/43/41/22/1068434122.db2.gz VMJSYFQTJAEWEP-DHIUTWEWSA-N 1 0 484.689 4.261 20 30 JIEDRO C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001300377277 1068455668 /nfs/dbraw/zinc/45/56/68/1068455668.db2.gz UXEYRWPXAHETQA-GOTSBHOMSA-N 1 0 484.689 4.466 20 30 JIEDRO C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001358921016 1068457504 /nfs/dbraw/zinc/45/75/04/1068457504.db2.gz MOEXRXOALOEWMB-LEWJYISDSA-N 1 0 472.033 4.034 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001358923298 1068464762 /nfs/dbraw/zinc/46/47/62/1068464762.db2.gz JGOCDXMTNNKNEX-UHFFFAOYSA-N 1 0 456.034 4.341 20 30 JIEDRO C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001358933628 1068479320 /nfs/dbraw/zinc/47/93/20/1068479320.db2.gz ZMPJCNHXWUYICH-QFIPXVFZSA-N 1 0 451.663 4.034 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001358942051 1068494174 /nfs/dbraw/zinc/49/41/74/1068494174.db2.gz HUWQEKPUIZMLPS-UHFFFAOYSA-N 1 0 463.651 4.334 20 30 JIEDRO C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@H+](C)C1CCCCC1 ZINC001358954337 1068503759 /nfs/dbraw/zinc/50/37/59/1068503759.db2.gz FAOGOXRFKLWRGO-NRFANRHFSA-N 1 0 458.651 4.074 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001358972228 1068516168 /nfs/dbraw/zinc/51/61/68/1068516168.db2.gz YEBLLGHVDSGDKL-ACRUOGEOSA-N 1 0 479.694 4.092 20 30 JIEDRO C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001300393124 1068516790 /nfs/dbraw/zinc/51/67/90/1068516790.db2.gz DOSFARQRKPTDPF-MRXNPFEDSA-N 1 0 450.450 4.351 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001358972777 1068518868 /nfs/dbraw/zinc/51/88/68/1068518868.db2.gz SFMIUMGTJHJFBF-FQEVSTJZSA-N 1 0 468.424 4.145 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001358973826 1068521805 /nfs/dbraw/zinc/52/18/05/1068521805.db2.gz HDWVXCNKUNQYHR-UGKGYDQZSA-N 1 0 465.026 4.211 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001358981933 1068527823 /nfs/dbraw/zinc/52/78/23/1068527823.db2.gz CSBAINKZZVCMCC-UHFFFAOYSA-N 1 0 479.694 4.055 20 30 JIEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001358984007 1068533594 /nfs/dbraw/zinc/53/35/94/1068533594.db2.gz FFJBHVOTUMWZER-VWLOTQADSA-N 1 0 474.653 4.121 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001358985155 1068533889 /nfs/dbraw/zinc/53/38/89/1068533889.db2.gz RCDIECDPRUPFHG-AUSIDOKSSA-N 1 0 465.598 4.385 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001358986823 1068538985 /nfs/dbraw/zinc/53/89/85/1068538985.db2.gz IJLALMHYMDAYKW-QFIPXVFZSA-N 1 0 454.622 4.300 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001358989706 1068550544 /nfs/dbraw/zinc/55/05/44/1068550544.db2.gz NGJOTYCSLLASBB-HSZRJFAPSA-N 1 0 454.603 4.321 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358989527 1068550594 /nfs/dbraw/zinc/55/05/94/1068550594.db2.gz GAIMYSTWFRGHMC-UHFFFAOYSA-N 1 0 463.626 4.080 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358992722 1068555374 /nfs/dbraw/zinc/55/53/74/1068555374.db2.gz UOXFMWOJQQSVOQ-ZRZAMGCNSA-N 1 0 470.621 4.431 20 30 JIEDRO C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358993602 1068556854 /nfs/dbraw/zinc/55/68/54/1068556854.db2.gz RWUQGLWXAZLHJW-DEOSSOPVSA-N 1 0 498.716 4.222 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001358995534 1068558930 /nfs/dbraw/zinc/55/89/30/1068558930.db2.gz VEQNRJDSZKRHMJ-XMMPIXPASA-N 1 0 452.046 4.496 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001358995817 1068559797 /nfs/dbraw/zinc/55/97/97/1068559797.db2.gz HAMPZYOIJWFVOB-RPLLCQBOSA-N 1 0 466.633 4.028 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001358998220 1068566821 /nfs/dbraw/zinc/56/68/21/1068566821.db2.gz WAWJVCIYCZMJJE-UHFFFAOYSA-N 1 0 461.654 4.492 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001359002215 1068572945 /nfs/dbraw/zinc/57/29/45/1068572945.db2.gz RQSHSQWLZWKOBI-AREMUKBSSA-N 1 0 474.653 4.169 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359003228 1068576850 /nfs/dbraw/zinc/57/68/50/1068576850.db2.gz CYIHCKFISCUIIP-QZTJIDSGSA-N 1 0 474.447 4.055 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359003791 1068578068 /nfs/dbraw/zinc/57/80/68/1068578068.db2.gz XRMLFBDBAJXREK-UHFFFAOYSA-N 1 0 470.440 4.287 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359014808 1068593381 /nfs/dbraw/zinc/59/33/81/1068593381.db2.gz XNPYZPFZRAZFNE-RTWAWAEBSA-N 1 0 472.678 4.320 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359029873 1068634687 /nfs/dbraw/zinc/63/46/87/1068634687.db2.gz JLVLIFAVVTXXCX-RUZDIDTESA-N 1 0 492.712 4.445 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001359030345 1068635997 /nfs/dbraw/zinc/63/59/97/1068635997.db2.gz UJFSXHHGEKLSBD-GMAHTHKFSA-N 1 0 485.076 4.091 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030380 1068638439 /nfs/dbraw/zinc/63/84/39/1068638439.db2.gz VAKOYINSGWAHJQ-ZRBLBEILSA-N 1 0 499.103 4.195 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359031528 1068642492 /nfs/dbraw/zinc/64/24/92/1068642492.db2.gz GECDUUDAAKPUOJ-UHFFFAOYSA-N 1 0 499.501 4.117 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001359038733 1068651295 /nfs/dbraw/zinc/65/12/95/1068651295.db2.gz IENLJTRYNXRXEW-UHFFFAOYSA-N 1 0 492.712 4.032 20 30 JIEDRO C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359048406 1068664433 /nfs/dbraw/zinc/66/44/33/1068664433.db2.gz PMPANQLZSAVXHG-UHFFFAOYSA-N 1 0 482.698 4.072 20 30 JIEDRO C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359061293 1068700325 /nfs/dbraw/zinc/70/03/25/1068700325.db2.gz XWKSMZNEEOGCRM-UHFFFAOYSA-N 1 0 455.672 4.090 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300439321 1068708603 /nfs/dbraw/zinc/70/86/03/1068708603.db2.gz AVRJRCWJCBWUSX-GAJHUEQPSA-N 1 0 474.447 4.296 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359065779 1068710400 /nfs/dbraw/zinc/71/04/00/1068710400.db2.gz BKWIJGFSKQWLMF-SIKLNZKXSA-N 1 0 460.395 4.179 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359066049 1068711038 /nfs/dbraw/zinc/71/10/38/1068711038.db2.gz LXDLUONDXBSARD-HTAPYJJXSA-N 1 0 459.436 4.292 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300441434 1068717086 /nfs/dbraw/zinc/71/70/86/1068717086.db2.gz OEYHQNFGBOGNGI-MRXNPFEDSA-N 1 0 450.450 4.349 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359072296 1068724402 /nfs/dbraw/zinc/72/44/02/1068724402.db2.gz XCDCKEVDRLDUSX-XUZZJYLKSA-N 1 0 452.603 4.068 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359073088 1068725729 /nfs/dbraw/zinc/72/57/29/1068725729.db2.gz BWFXPVGTTWGETL-IPVFLDMMSA-N 1 0 482.698 4.020 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300446690 1068737687 /nfs/dbraw/zinc/73/76/87/1068737687.db2.gz PZJYQOIWBIZCND-HXUWFJFHSA-N 1 0 453.631 4.321 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300447023 1068740330 /nfs/dbraw/zinc/74/03/30/1068740330.db2.gz UNNHBHMEVAXIEN-IBGZPJMESA-N 1 0 484.398 4.216 20 30 JIEDRO C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359078720 1068741346 /nfs/dbraw/zinc/74/13/46/1068741346.db2.gz LNHRISCQLBJYKJ-INIZCTEOSA-N 1 0 490.446 4.182 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359079729 1068746790 /nfs/dbraw/zinc/74/67/90/1068746790.db2.gz UEZAWYSSWDFVAV-OAHLLOKOSA-N 1 0 483.252 4.455 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359091866 1068788250 /nfs/dbraw/zinc/78/82/50/1068788250.db2.gz UCQGKALGXRTTAA-OSGAQNHASA-N 1 0 469.678 4.026 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359100508 1068805620 /nfs/dbraw/zinc/80/56/20/1068805620.db2.gz CLSXMLTXQVJEKS-ZCYQVOJMSA-N 1 0 451.659 4.469 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359102821 1068808149 /nfs/dbraw/zinc/80/81/49/1068808149.db2.gz GAXXMDWQGUVGLE-RDGATRHJSA-N 1 0 453.631 4.067 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359110065 1068820712 /nfs/dbraw/zinc/82/07/12/1068820712.db2.gz YZYZNWWATQHICK-IBGZPJMESA-N 1 0 453.612 4.483 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359110390 1068820812 /nfs/dbraw/zinc/82/08/12/1068820812.db2.gz LJJQEUFJNVUKQE-UHFFFAOYSA-N 1 0 476.463 4.345 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC[NH+](CCC)CC1 ZINC001359114079 1068823457 /nfs/dbraw/zinc/82/34/57/1068823457.db2.gz XDNIFBZNCLEPIY-JOCHJYFZSA-N 1 0 490.693 4.111 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC[NH+](CCC)CC1 ZINC001359114080 1068823564 /nfs/dbraw/zinc/82/35/64/1068823564.db2.gz XDNIFBZNCLEPIY-QFIPXVFZSA-N 1 0 490.693 4.111 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001359119481 1068830587 /nfs/dbraw/zinc/83/05/87/1068830587.db2.gz WBMQFZCPOONUOL-UHFFFAOYSA-N 1 0 457.985 4.111 20 30 JIEDRO C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359121196 1068832576 /nfs/dbraw/zinc/83/25/76/1068832576.db2.gz AZBOWHJJGSBMEU-NHCUHLMSSA-N 1 0 458.651 4.033 20 30 JIEDRO C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359121795 1068833156 /nfs/dbraw/zinc/83/31/56/1068833156.db2.gz JIRZBLYNKIQHHO-UHFFFAOYSA-N 1 0 472.678 4.423 20 30 JIEDRO C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359126143 1068836303 /nfs/dbraw/zinc/83/63/03/1068836303.db2.gz GVDSKYLMMYMZIT-QHCPKHFHSA-N 1 0 480.657 4.052 20 30 JIEDRO C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359135834 1068845432 /nfs/dbraw/zinc/84/54/32/1068845432.db2.gz PXQFNCRLVNRLCT-HSZRJFAPSA-N 1 0 453.631 4.131 20 30 JIEDRO C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359135835 1068845839 /nfs/dbraw/zinc/84/58/39/1068845839.db2.gz PXQFNCRLVNRLCT-QHCPKHFHSA-N 1 0 453.631 4.131 20 30 JIEDRO C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)c1ccccc1 ZINC001359140861 1068850799 /nfs/dbraw/zinc/85/07/99/1068850799.db2.gz ORFCUVLLEAYCIC-QPTUXGOLSA-N 1 0 467.658 4.067 20 30 JIEDRO C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359144286 1068855567 /nfs/dbraw/zinc/85/55/67/1068855567.db2.gz DLXSSVXJQSRTBI-HXUWFJFHSA-N 1 0 492.089 4.194 20 30 JIEDRO C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC001359158192 1068870012 /nfs/dbraw/zinc/87/00/12/1068870012.db2.gz JAAZIJURDTWRAJ-DEOSSOPVSA-N 1 0 480.657 4.199 20 30 JIEDRO C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001359160501 1068871018 /nfs/dbraw/zinc/87/10/18/1068871018.db2.gz WQRWQYUPAJMWCU-BVAGGSTKSA-N 1 0 453.631 4.170 20 30 JIEDRO C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001359168004 1068877736 /nfs/dbraw/zinc/87/77/36/1068877736.db2.gz DUJRYUHKOLFFBE-JOCHJYFZSA-N 1 0 478.666 4.291 20 30 JIEDRO C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001359173796 1068885732 /nfs/dbraw/zinc/88/57/32/1068885732.db2.gz ONEWWMZKGIJTND-HOYKHHGWSA-N 1 0 459.635 4.397 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001359174901 1068887602 /nfs/dbraw/zinc/88/76/02/1068887602.db2.gz SYMULYFPQMHFFT-OAQYLSRUSA-N 1 0 483.657 4.494 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359176011 1068889178 /nfs/dbraw/zinc/88/91/78/1068889178.db2.gz IUSKLVDQVBDWSU-FQEVSTJZSA-N 1 0 453.631 4.485 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300511495 1068889118 /nfs/dbraw/zinc/88/91/18/1068889118.db2.gz JMYXDEAHHJYAOR-JWQCQUIFSA-N 1 0 461.654 4.476 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300511485 1068889139 /nfs/dbraw/zinc/88/91/39/1068889139.db2.gz JMYXDEAHHJYAOR-DQEYMECFSA-N 1 0 461.654 4.476 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001359176643 1068890465 /nfs/dbraw/zinc/89/04/65/1068890465.db2.gz IOXQCJMWLMSGSA-XMMPIXPASA-N 1 0 467.658 4.493 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300512241 1068891676 /nfs/dbraw/zinc/89/16/76/1068891676.db2.gz OZDOJBHYGCNNGE-ISJBWFOZSA-N 1 0 451.590 4.141 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300512981 1068892932 /nfs/dbraw/zinc/89/29/32/1068892932.db2.gz UGNNBIJBVYALIU-HXUWFJFHSA-N 1 0 454.018 4.266 20 30 JIEDRO C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001359181508 1068904167 /nfs/dbraw/zinc/90/41/67/1068904167.db2.gz VEJVVUMIHIRDIV-HSZRJFAPSA-N 1 0 467.658 4.377 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300521531 1068914296 /nfs/dbraw/zinc/91/42/96/1068914296.db2.gz YJOAZAJZGQWXJQ-RTBURBONSA-N 1 0 486.433 4.288 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359189449 1068925444 /nfs/dbraw/zinc/92/54/44/1068925444.db2.gz LDPXLODKRUXUEY-HXUWFJFHSA-N 1 0 490.693 4.109 20 30 JIEDRO C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001359189464 1068925641 /nfs/dbraw/zinc/92/56/41/1068925641.db2.gz LSGBFMDHNSDQNZ-HSZRJFAPSA-N 1 0 471.093 4.341 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300527352 1068932037 /nfs/dbraw/zinc/93/20/37/1068932037.db2.gz GBGWURKVARJJNE-JOCHJYFZSA-N 1 0 456.594 4.041 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001359192850 1068948808 /nfs/dbraw/zinc/94/88/08/1068948808.db2.gz QDWNADVPJOBABE-SFTDATJTSA-N 1 0 490.693 4.109 20 30 JIEDRO C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001359203861 1068980881 /nfs/dbraw/zinc/98/08/81/1068980881.db2.gz XMTYCSNYRKNKBI-VSKRKVRLSA-N 1 0 472.678 4.422 20 30 JIEDRO C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001300545289 1068982792 /nfs/dbraw/zinc/98/27/92/1068982792.db2.gz MYLFXOMQBJOCIB-OZXSUGGESA-N 1 0 457.647 4.281 20 30 JIEDRO C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359208693 1068987893 /nfs/dbraw/zinc/98/78/93/1068987893.db2.gz RMEFZWUXMVFZCT-FQEVSTJZSA-N 1 0 457.594 4.072 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300548980 1068994177 /nfs/dbraw/zinc/99/41/77/1068994177.db2.gz VKWYVTUNWONZDO-RUZDIDTESA-N 1 0 459.638 4.344 20 30 JIEDRO C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359212269 1068997125 /nfs/dbraw/zinc/99/71/25/1068997125.db2.gz GPJYHDPAYVNWNJ-GOSISDBHSA-N 1 0 474.447 4.363 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001359235334 1069034874 /nfs/dbraw/zinc/03/48/74/1069034874.db2.gz WEGHNNRZOCSSEA-KRWDZBQOSA-N 1 0 451.446 4.148 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300562709 1069038058 /nfs/dbraw/zinc/03/80/58/1069038058.db2.gz LPBLTDHORDJWLG-ISJBWFOZSA-N 1 0 450.631 4.128 20 30 JIEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359238823 1069039398 /nfs/dbraw/zinc/03/93/98/1069039398.db2.gz XEEVPXHOIXAOCC-SFTDATJTSA-N 1 0 477.657 4.055 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001300563472 1069041024 /nfs/dbraw/zinc/04/10/24/1069041024.db2.gz KFGHMTAAEJCFBE-SFHVURJKSA-N 1 0 472.456 4.249 20 30 JIEDRO C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359239936 1069041407 /nfs/dbraw/zinc/04/14/07/1069041407.db2.gz ATXMIUINSIWYEC-NRFANRHFSA-N 1 0 460.667 4.279 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300565200 1069050017 /nfs/dbraw/zinc/05/00/17/1069050017.db2.gz LSUXOFLORBLVON-QFIPXVFZSA-N 1 0 462.450 4.152 20 30 JIEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849501411 1069073109 /nfs/dbraw/zinc/07/31/09/1069073109.db2.gz VUTBMLOFFKKBAG-FTJBHMTQSA-N 1 0 457.578 4.323 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300571288 1069078390 /nfs/dbraw/zinc/07/83/90/1069078390.db2.gz AMWBQKXWUQCMOT-ZRZAMGCNSA-N 1 0 454.622 4.324 20 30 JIEDRO C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC001359247561 1069092985 /nfs/dbraw/zinc/09/29/85/1069092985.db2.gz HCLMXXJKAXKBJW-JOCHJYFZSA-N 1 0 469.630 4.246 20 30 JIEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520277 1069110977 /nfs/dbraw/zinc/11/09/77/1069110977.db2.gz NAIMWIZMAKYWHA-CLJLJLNGSA-N 1 0 457.578 4.323 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849519494 1069111247 /nfs/dbraw/zinc/11/12/47/1069111247.db2.gz JUADCXFSRPRXSN-ZEQRLZLVSA-N 1 0 475.568 4.462 20 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C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359256957 1069252600 /nfs/dbraw/zinc/25/26/00/1069252600.db2.gz VQEQYSCZVJHAHD-DEOSSOPVSA-N 1 0 462.642 4.358 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359260103 1069279424 /nfs/dbraw/zinc/27/94/24/1069279424.db2.gz SQNXGHCGFUMMPG-FQRUVTKNSA-N 1 0 470.637 4.259 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC1([NH+](C)C)CCOCC1 ZINC001359260969 1069282419 /nfs/dbraw/zinc/28/24/19/1069282419.db2.gz SQVLBBPMXRLREH-UHFFFAOYSA-N 1 0 464.589 4.091 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359261049 1069282870 /nfs/dbraw/zinc/28/28/70/1069282870.db2.gz VBEUGZQHPKAOOS-SIKLNZKXSA-N 1 0 455.603 4.478 20 30 JIEDRO C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300635418 1069289589 /nfs/dbraw/zinc/28/95/89/1069289589.db2.gz LMNSYNAAVCFHTN-UHFFFAOYSA-N 1 0 479.669 4.357 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)C(C)C ZINC001359264827 1069297126 /nfs/dbraw/zinc/29/71/26/1069297126.db2.gz QSQUYMOBSWRIFP-FGZHOGPDSA-N 1 0 455.006 4.026 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001359264951 1069298009 /nfs/dbraw/zinc/29/80/09/1069298009.db2.gz UQYYSJRGSKEKQG-AVRDEDQJSA-N 1 0 489.039 4.103 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(F)(F)C1)C(C)C ZINC001359265218 1069299053 /nfs/dbraw/zinc/29/90/53/1069299053.db2.gz AZXNXVKSVZWPSA-LJQANCHMSA-N 1 0 459.541 4.218 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C ZINC001359265825 1069300262 /nfs/dbraw/zinc/30/02/62/1069300262.db2.gz MOBBSJKHXIFMJB-VXKWHMMOSA-N 1 0 472.722 4.405 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359267780 1069303991 /nfs/dbraw/zinc/30/39/91/1069303991.db2.gz RUUNGCKGCNPEGK-HSZRJFAPSA-N 1 0 483.682 4.324 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359271009 1069309131 /nfs/dbraw/zinc/30/91/31/1069309131.db2.gz INNQVPQYMBVYAX-HXUWFJFHSA-N 1 0 461.595 4.137 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164710603 720099303 /nfs/dbraw/zinc/09/93/03/720099303.db2.gz JYAUZYJCUGJRGC-GOSISDBHSA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164717319 720117029 /nfs/dbraw/zinc/11/70/29/720117029.db2.gz NDFRUQCYCDAGQK-HXUWFJFHSA-N 1 0 461.944 4.054 20 30 JIEDRO 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 ZINC001164835727 720510832 /nfs/dbraw/zinc/51/08/32/720510832.db2.gz KNBDBMMUCDPDJN-MPGHIAIKSA-N 1 0 469.367 4.379 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)CC[C@@H]21 ZINC001164838777 720612718 /nfs/dbraw/zinc/61/27/18/720612718.db2.gz LTPDQBQGVABRDN-OBDYRVMHSA-N 1 0 470.621 4.301 20 30 JIEDRO 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C[Si](C)(C)C#Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754992 720932384 /nfs/dbraw/zinc/93/23/84/720932384.db2.gz XSRNEDPWFDYDRJ-IXCJQBJRSA-N 1 0 474.725 4.461 20 30 JIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)[C@@H]2C ZINC001164864001 721018931 /nfs/dbraw/zinc/01/89/31/721018931.db2.gz WQXTWRXOMMYECL-MRXNPFEDSA-N 1 0 451.962 4.412 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164783901 721451566 /nfs/dbraw/zinc/45/15/66/721451566.db2.gz CXPHKNZZSWVJNN-VWLOTQADSA-N 1 0 478.612 4.493 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164789945 721470942 /nfs/dbraw/zinc/47/09/42/721470942.db2.gz PFVPXBFXPNJERX-QFIPXVFZSA-N 1 0 469.029 4.494 20 30 JIEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907750 721714873 /nfs/dbraw/zinc/71/48/73/721714873.db2.gz TYGOOUHJIMOWTA-RUZDIDTESA-N 1 0 498.650 4.230 20 30 JIEDRO 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300650025 1069330625 /nfs/dbraw/zinc/33/06/25/1069330625.db2.gz RFTHYIAIPOQKPU-CQOQZXRMSA-N 1 0 467.633 4.319 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001300654701 1069346339 /nfs/dbraw/zinc/34/63/39/1069346339.db2.gz DYJMITXXACINPE-LJQANCHMSA-N 1 0 462.425 4.355 20 30 JIEDRO 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 1069355881 /nfs/dbraw/zinc/35/58/81/1069355881.db2.gz LCSWBNYBYVAMLG-BKSPAHHJSA-N 1 0 494.684 4.297 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359315706 1069365065 /nfs/dbraw/zinc/36/50/65/1069365065.db2.gz AHAVPNXUUIBVRM-AZUAARDMSA-N 1 0 460.022 4.120 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001359316309 1069368031 /nfs/dbraw/zinc/36/80/31/1069368031.db2.gz MHLKQYLFYNONHF-YADHBBJMSA-N 1 0 483.016 4.086 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001359316706 1069369230 /nfs/dbraw/zinc/36/92/30/1069369230.db2.gz URZYRLBZJZCJTK-JOCHJYFZSA-N 1 0 474.049 4.269 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359316676 1069369245 /nfs/dbraw/zinc/36/92/45/1069369245.db2.gz UAFNTFCIADOHNA-DQEYMECFSA-N 1 0 481.685 4.381 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359323257 1069376049 /nfs/dbraw/zinc/37/60/49/1069376049.db2.gz KSYBBANDOYMENG-GGAORHGYSA-N 1 0 467.658 4.169 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359324274 1069377908 /nfs/dbraw/zinc/37/79/08/1069377908.db2.gz HNLQPXYGOWMEFD-UPVQGACJSA-N 1 0 453.631 4.067 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359324706 1069379020 /nfs/dbraw/zinc/37/90/20/1069379020.db2.gz QUWIQXDDDCNUNB-BJKOFHAPSA-N 1 0 467.658 4.376 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300665550 1069386008 /nfs/dbraw/zinc/38/60/08/1069386008.db2.gz MVXKWWMHGYYNMM-LJQANCHMSA-N 1 0 474.447 4.058 20 30 JIEDRO C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359342487 1069407351 /nfs/dbraw/zinc/40/73/51/1069407351.db2.gz YWJYICUPYUPGMD-QHAWAJNXSA-N 1 0 492.734 4.231 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCCCC1 ZINC001359468187 1069607631 /nfs/dbraw/zinc/60/76/31/1069607631.db2.gz GVNCQLHMWTYNKU-MRXNPFEDSA-N 1 0 463.399 4.319 20 30 JIEDRO CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001359473165 1069622860 /nfs/dbraw/zinc/62/28/60/1069622860.db2.gz XPXLCZRDZNDIJA-HXUWFJFHSA-N 1 0 490.656 4.096 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359478182 1069640572 /nfs/dbraw/zinc/64/05/72/1069640572.db2.gz OBRXMCBPTLSOLG-FFGOWVMKSA-N 1 0 487.674 4.009 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCC2)CC1 ZINC001359548624 1069855599 /nfs/dbraw/zinc/85/55/99/1069855599.db2.gz JSXKQXSFHSFXFK-UHFFFAOYSA-N 1 0 480.657 4.389 20 30 JIEDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001359549255 1069857429 /nfs/dbraw/zinc/85/74/29/1069857429.db2.gz IPLOWAOWJLUWEI-UHFFFAOYSA-N 1 0 489.590 4.012 20 30 JIEDRO CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359643654 1070182508 /nfs/dbraw/zinc/18/25/08/1070182508.db2.gz IZBYIEOFIJVVJO-FQEVSTJZSA-N 1 0 450.631 4.188 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCC1 ZINC001359659226 1070264531 /nfs/dbraw/zinc/26/45/31/1070264531.db2.gz SGEOTADRLNMLSX-DENIHFKCSA-N 1 0 493.400 4.409 20 30 JIEDRO COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315603497 1064715183 /nfs/dbraw/zinc/71/51/83/1064715183.db2.gz GIXUTOJZTRBNAC-QFQXNSOFSA-N 1 0 450.631 4.452 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001315706786 1064979314 /nfs/dbraw/zinc/97/93/14/1064979314.db2.gz YUWRLXCYLSPYIB-UHFFFAOYSA-N 1 0 450.631 4.333 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(Cc4ccccc4F)nnc3N(C)C[C@@H](C)C#N)CCCC2)CC1 ZINC001315708607 1064983975 /nfs/dbraw/zinc/98/39/75/1064983975.db2.gz HEFYJRPGPGKMQH-FQEVSTJZSA-N 1 0 468.621 4.027 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)[NH+](C)C)CC[C@H]1C ZINC001315716928 1065008033 /nfs/dbraw/zinc/00/80/33/1065008033.db2.gz JEVGOJAEGRJSRA-DUXKGJEZSA-N 1 0 450.612 4.042 20 30 JIEDRO COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001315830189 1065192078 /nfs/dbraw/zinc/19/20/78/1065192078.db2.gz SNOMVJPHGIFNDO-UHFFFAOYSA-N 1 0 450.631 4.192 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315887202 1065337411 /nfs/dbraw/zinc/33/74/11/1065337411.db2.gz IGGXZMPPGALWSD-AOHZBQACSA-N 1 0 480.657 4.102 20 30 JIEDRO COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001315893703 1065357354 /nfs/dbraw/zinc/35/73/54/1065357354.db2.gz HKIZFFKQSLIQOF-QNWVGRARSA-N 1 0 464.658 4.436 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccc(C)c(Br)c2)n1CC1([NH+](C)C)CCCC1 ZINC001316098874 1065764002 /nfs/dbraw/zinc/76/40/02/1065764002.db2.gz LWJRBCLVEMYYEM-UHFFFAOYSA-N 1 0 489.462 4.257 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316100712 1065767838 /nfs/dbraw/zinc/76/78/38/1065767838.db2.gz WURCJOOGPBYVLR-UHFFFAOYSA-N 1 0 480.016 4.317 20 30 JIEDRO 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 1065798789 /nfs/dbraw/zinc/79/87/89/1065798789.db2.gz WZTZYIQHQFDPDF-JRGCBEDISA-N 1 0 476.547 4.267 20 30 JIEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1Br ZINC001336713575 1066445211 /nfs/dbraw/zinc/44/52/11/1066445211.db2.gz QJAWQBSJVGNNGI-YKSBVNFPSA-N 1 0 467.363 4.448 20 30 JIEDRO COc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1Br ZINC001336713572 1066445244 /nfs/dbraw/zinc/44/52/44/1066445244.db2.gz QJAWQBSJVGNNGI-HYBUGGRVSA-N 1 0 467.363 4.448 20 30 JIEDRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001316506181 1066481753 /nfs/dbraw/zinc/48/17/53/1066481753.db2.gz HEDWRRBPPXKHKZ-AVRDEDQJSA-N 1 0 480.638 4.097 20 30 JIEDRO Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001492541057 1066642743 /nfs/dbraw/zinc/64/27/43/1066642743.db2.gz CGHVCWAXGCQDTA-XMMPIXPASA-N 1 0 450.631 4.416 20 30 JIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC001348172653 1066725873 /nfs/dbraw/zinc/72/58/73/1066725873.db2.gz GJSVAUPOIZSIAI-UHFFFAOYSA-N 1 0 455.566 4.408 20 30 JIEDRO C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)ccc1Cl ZINC001318084165 1066891920 /nfs/dbraw/zinc/89/19/20/1066891920.db2.gz IEFGJTSQLRSHBZ-SFHVURJKSA-N 1 0 494.032 4.322 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300681742 1067015765 /nfs/dbraw/zinc/01/57/65/1067015765.db2.gz AEOODGUMKVMRBD-VABKMULXSA-N 1 0 496.675 4.069 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001300682074 1067016050 /nfs/dbraw/zinc/01/60/50/1067016050.db2.gz DWWUGMOZTCKYMX-UKILVPOCSA-N 1 0 478.685 4.055 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300682389 1067017765 /nfs/dbraw/zinc/01/77/65/1067017765.db2.gz GYPIOIMNIKUECW-AZGAKELHSA-N 1 0 462.686 4.087 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001300683069 1067018968 /nfs/dbraw/zinc/01/89/68/1067018968.db2.gz LDGDRSQIPMBXQI-HSZRJFAPSA-N 1 0 496.675 4.071 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001300690571 1067038335 /nfs/dbraw/zinc/03/83/35/1067038335.db2.gz NGMWMDMTDTZARK-UHFFFAOYSA-N 1 0 469.077 4.112 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001300708031 1067076925 /nfs/dbraw/zinc/07/69/25/1067076925.db2.gz MAACULIDNHZGCV-RUZDIDTESA-N 1 0 492.712 4.309 20 30 JIEDRO C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001300743483 1067238845 /nfs/dbraw/zinc/23/88/45/1067238845.db2.gz RNKSDQNIVISMAT-JOCHJYFZSA-N 1 0 497.709 4.421 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001300746102 1067254922 /nfs/dbraw/zinc/25/49/22/1067254922.db2.gz OUVKLZHZZASLAS-UHFFFAOYSA-N 1 0 450.439 4.150 20 30 JIEDRO C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001300746595 1067256926 /nfs/dbraw/zinc/25/69/26/1067256926.db2.gz UIMSKZWISAIYAI-GOSISDBHSA-N 1 0 492.462 4.278 20 30 JIEDRO Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)nn1-c1cccc(C#N)c1 ZINC001352218473 1067312029 /nfs/dbraw/zinc/31/20/29/1067312029.db2.gz OFBREMIMGMWXSN-UHFFFAOYSA-N 1 0 456.550 4.119 20 30 JIEDRO CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300771299 1067319641 /nfs/dbraw/zinc/31/96/41/1067319641.db2.gz AOUUUZADWZIFFE-VWLOTQADSA-N 1 0 480.657 4.102 20 30 JIEDRO C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001300777563 1067331741 /nfs/dbraw/zinc/33/17/41/1067331741.db2.gz YPUOUQZBEOELCS-UHFFFAOYSA-N 1 0 467.683 4.241 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(-c4ccc(C#N)cc4)nnc3N(C)CCOC(C)(C)C)CCCC2)CC1 ZINC001300786026 1067348045 /nfs/dbraw/zinc/34/80/45/1067348045.db2.gz INDGHUHLMCDLKR-UHFFFAOYSA-N 1 0 494.684 4.492 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300786196 1067348613 /nfs/dbraw/zinc/34/86/13/1067348613.db2.gz FHIYKYNICBRAPX-VYKTZEHYSA-N 1 0 479.669 4.264 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300787594 1067351970 /nfs/dbraw/zinc/35/19/70/1067351970.db2.gz MAXRIZMDSVIINR-KAYWLYCHSA-N 1 0 471.690 4.069 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300789275 1067357430 /nfs/dbraw/zinc/35/74/30/1067357430.db2.gz DQDXLOYPZCFCPK-WZONZLPQSA-N 1 0 456.432 4.432 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)C[NH+](C)C ZINC001300790878 1067361169 /nfs/dbraw/zinc/36/11/69/1067361169.db2.gz ZBXKMWCWIXEJIF-HSZRJFAPSA-N 1 0 474.447 4.296 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(COc4ccc(F)cc4)nnc3N(C)[C@H](C)CC#N)CCCC2)CC1 ZINC001300791570 1067362370 /nfs/dbraw/zinc/36/23/70/1067362370.db2.gz NBNXZICRYQKALS-HXUWFJFHSA-N 1 0 484.620 4.158 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001355281939 1067403205 /nfs/dbraw/zinc/40/32/05/1067403205.db2.gz CPDGIQYNMTVMIB-UHFFFAOYSA-N 1 0 453.340 4.180 20 30 JIEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC(c4ccc(Cl)cc4Cl)=NO3)CC2)c1 ZINC001300155307 1067811035 /nfs/dbraw/zinc/81/10/35/1067811035.db2.gz LJFGZNNMHGXJOM-QFIPXVFZSA-N 1 0 457.361 4.139 20 30 JIEDRO C=CCNC(=S)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1c(Br)cccc1OC ZINC001200302793 1068023429 /nfs/dbraw/zinc/02/34/29/1068023429.db2.gz NXBHGVWHYXVYAZ-MJGOQNOKSA-N 1 0 460.441 4.076 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001300276686 1068060432 /nfs/dbraw/zinc/06/04/32/1068060432.db2.gz PJIPYJCZIBQWNV-UWJYYQICSA-N 1 0 497.441 4.339 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300277310 1068062421 /nfs/dbraw/zinc/06/24/21/1068062421.db2.gz ZJLYNHUXFJFMPW-VGSWGCGISA-N 1 0 481.442 4.404 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300283316 1068077971 /nfs/dbraw/zinc/07/79/71/1068077971.db2.gz MWUXEKUJPLEJIR-AREMUKBSSA-N 1 0 466.630 4.118 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CC[NH+](CCC)CC1 ZINC001300287330 1068088181 /nfs/dbraw/zinc/08/81/81/1068088181.db2.gz YRUVATNAIDOVEP-INIZCTEOSA-N 1 0 462.411 4.427 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300290845 1068095849 /nfs/dbraw/zinc/09/58/49/1068095849.db2.gz PXEJDWTVFLOAEZ-UGKGYDQZSA-N 1 0 451.615 4.217 20 30 JIEDRO C[NH+](C)[C@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(F)c1 ZINC000510247606 1068168207 /nfs/dbraw/zinc/16/82/07/1068168207.db2.gz ZEPSJAPDDPPGFA-GOSISDBHSA-N 1 0 456.572 4.266 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300315206 1068206733 /nfs/dbraw/zinc/20/67/33/1068206733.db2.gz SRXFSBFKIONFGQ-QGZVFWFLSA-N 1 0 454.669 4.065 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300319357 1068226982 /nfs/dbraw/zinc/22/69/82/1068226982.db2.gz BWIYAFNSRUMAQX-HWHXTQLESA-N 1 0 474.634 4.331 20 30 JIEDRO 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 1068270841 /nfs/dbraw/zinc/27/08/41/1068270841.db2.gz YKLLRZVESHKNJV-PABCKOPISA-N 1 0 480.657 4.027 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](C)[NH+](C)C)c1 ZINC001300330505 1068271562 /nfs/dbraw/zinc/27/15/62/1068271562.db2.gz BODRZRRIVXGJTG-MOPGFXCFSA-N 1 0 490.677 4.138 20 30 JIEDRO CCCCCCCCCNC(=S)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001200372615 1068289934 /nfs/dbraw/zinc/28/99/34/1068289934.db2.gz LQPPIOIIVCZCFB-HHHXNRCGSA-N 1 0 485.742 4.111 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358871869 1068365827 /nfs/dbraw/zinc/36/58/27/1068365827.db2.gz LIRBXBOJNQBYBO-WOJBJXKFSA-N 1 0 472.033 4.174 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358873325 1068367334 /nfs/dbraw/zinc/36/73/34/1068367334.db2.gz HNSOTQKAUWSYAV-UXHICEINSA-N 1 0 462.573 4.367 20 30 JIEDRO 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 1068370924 /nfs/dbraw/zinc/37/09/24/1068370924.db2.gz OUUFGPVFBWFQBU-ACIOBRDBSA-N 1 0 474.653 4.310 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358876102 1068372832 /nfs/dbraw/zinc/37/28/32/1068372832.db2.gz CDOVXKHGRKWKQQ-IKGGRYGDSA-N 1 0 462.411 4.425 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358879199 1068377743 /nfs/dbraw/zinc/37/77/43/1068377743.db2.gz MOHYEJHRWQHZTG-JTSKRJEESA-N 1 0 462.013 4.333 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001358879934 1068378330 /nfs/dbraw/zinc/37/83/30/1068378330.db2.gz AVNMJZUVYNIFCK-GOSISDBHSA-N 1 0 465.001 4.377 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001358890489 1068387927 /nfs/dbraw/zinc/38/79/27/1068387927.db2.gz QDUXRLXEZBKNDT-NZQKXSOJSA-N 1 0 492.697 4.055 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[NH+]1CCC(C)CC1 ZINC001358895467 1068389990 /nfs/dbraw/zinc/38/99/90/1068389990.db2.gz KATWDAICRQYXCM-OAQYLSRUSA-N 1 0 458.050 4.441 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001358898794 1068393977 /nfs/dbraw/zinc/39/39/77/1068393977.db2.gz AIHQFMCEDMXYQT-BDTNDASRSA-N 1 0 472.678 4.463 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCC1 ZINC001358899579 1068396137 /nfs/dbraw/zinc/39/61/37/1068396137.db2.gz QEHGIXUBMVKUJD-SFTDATJTSA-N 1 0 458.651 4.074 20 30 JIEDRO C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001358905437 1068412779 /nfs/dbraw/zinc/41/27/79/1068412779.db2.gz ZQEKWFKSGLXHNB-IZZNHLLZSA-N 1 0 462.686 4.228 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001358906405 1068416580 /nfs/dbraw/zinc/41/65/80/1068416580.db2.gz HEYMWYOXOZERRC-NRFANRHFSA-N 1 0 474.447 4.058 20 30 JIEDRO C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001358907395 1068421685 /nfs/dbraw/zinc/42/16/85/1068421685.db2.gz NGBCRLMVXPTCIR-VWLOTQADSA-N 1 0 462.686 4.262 20 30 JIEDRO C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001358921017 1068457627 /nfs/dbraw/zinc/45/76/27/1068457627.db2.gz MOEXRXOALOEWMB-NHCUHLMSSA-N 1 0 472.033 4.034 20 30 JIEDRO C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001358924859 1068470561 /nfs/dbraw/zinc/47/05/61/1068470561.db2.gz LIFTZFAYJJGOJP-UHFFFAOYSA-N 1 0 465.642 4.468 20 30 JIEDRO C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001300385176 1068481493 /nfs/dbraw/zinc/48/14/93/1068481493.db2.gz ZZJXMPDLYVABCJ-MZKUHISZSA-N 1 0 492.712 4.443 20 30 JIEDRO C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358939502 1068491095 /nfs/dbraw/zinc/49/10/95/1068491095.db2.gz XRGMTOHEUKNVRT-IBGZPJMESA-N 1 0 465.001 4.493 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001358941607 1068493403 /nfs/dbraw/zinc/49/34/03/1068493403.db2.gz QOQJJYFRFIVMIZ-IBGZPJMESA-N 1 0 474.428 4.150 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001358942588 1068495123 /nfs/dbraw/zinc/49/51/23/1068495123.db2.gz ASCUJICEHDRLGF-OAQYLSRUSA-N 1 0 467.614 4.119 20 30 JIEDRO C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358946256 1068497971 /nfs/dbraw/zinc/49/79/71/1068497971.db2.gz OFLLWXGOXIAESA-VXKWHMMOSA-N 1 0 489.668 4.063 20 30 JIEDRO C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001358948245 1068500855 /nfs/dbraw/zinc/50/08/55/1068500855.db2.gz YDMYPLPVIWHWHB-DHIUTWEWSA-N 1 0 480.657 4.073 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358948008 1068501178 /nfs/dbraw/zinc/50/11/78/1068501178.db2.gz RGGQYVXNBLTDQO-DEOSSOPVSA-N 1 0 492.668 4.106 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358953027 1068502339 /nfs/dbraw/zinc/50/23/39/1068502339.db2.gz IFXUWZTWRLUMMN-FQEVSTJZSA-N 1 0 474.447 4.344 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358971008 1068512309 /nfs/dbraw/zinc/51/23/09/1068512309.db2.gz DOZJARUFFBNILY-JOCHJYFZSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001358972889 1068519981 /nfs/dbraw/zinc/51/99/81/1068519981.db2.gz WUCPDPBOGMEGRM-KRWDZBQOSA-N 1 0 460.445 4.106 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358974883 1068524201 /nfs/dbraw/zinc/52/42/01/1068524201.db2.gz VGURSAPNYCIXND-YADARESESA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358980358 1068526813 /nfs/dbraw/zinc/52/68/13/1068526813.db2.gz SFPAABIVBNTISS-QFIPXVFZSA-N 1 0 464.038 4.494 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358986439 1068537244 /nfs/dbraw/zinc/53/72/44/1068537244.db2.gz WVEPGDRFSUIMFG-RUZDIDTESA-N 1 0 489.664 4.143 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001358987988 1068544736 /nfs/dbraw/zinc/54/47/36/1068544736.db2.gz YUSVHTZAZRSTPD-UHFFFAOYSA-N 1 0 455.553 4.131 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001358988206 1068546192 /nfs/dbraw/zinc/54/61/92/1068546192.db2.gz HPEWWPJNFMDUMA-UHFFFAOYSA-N 1 0 474.697 4.123 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1CC[NH+](C2CC2)CC1 ZINC001358988726 1068547771 /nfs/dbraw/zinc/54/77/71/1068547771.db2.gz AKALAVSJEPVVBY-UHFFFAOYSA-N 1 0 484.417 4.184 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCCCC1 ZINC001358988979 1068549120 /nfs/dbraw/zinc/54/91/20/1068549120.db2.gz KNHHKJGUDWNPAT-UHFFFAOYSA-N 1 0 472.406 4.186 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358990902 1068554604 /nfs/dbraw/zinc/55/46/04/1068554604.db2.gz GWIDAQGEACAZPN-FIPFOOKPSA-N 1 0 469.637 4.104 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001358992569 1068555437 /nfs/dbraw/zinc/55/54/37/1068555437.db2.gz PPYBWNOZMBNSIM-QFIPXVFZSA-N 1 0 456.594 4.328 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358997739 1068563945 /nfs/dbraw/zinc/56/39/45/1068563945.db2.gz CNCYHZLAUXIHIX-XMMPIXPASA-N 1 0 484.629 4.090 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358997807 1068565011 /nfs/dbraw/zinc/56/50/11/1068565011.db2.gz FUDYBFXPOXHKNU-UHFFFAOYSA-N 1 0 491.705 4.298 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001359003563 1068577332 /nfs/dbraw/zinc/57/73/32/1068577332.db2.gz PKARKCLZWFRVCP-OAQYLSRUSA-N 1 0 455.672 4.092 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359009430 1068584723 /nfs/dbraw/zinc/58/47/23/1068584723.db2.gz PPJZVGWSKOJHKG-NRFANRHFSA-N 1 0 472.678 4.117 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359020948 1068621332 /nfs/dbraw/zinc/62/13/32/1068621332.db2.gz VXYADASXHQTLTB-IBGZPJMESA-N 1 0 488.474 4.304 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001359021995 1068624617 /nfs/dbraw/zinc/62/46/17/1068624617.db2.gz JCGYUIWEVFLVFZ-NRFANRHFSA-N 1 0 498.425 4.224 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359030377 1068638566 /nfs/dbraw/zinc/63/85/66/1068638566.db2.gz VAKOYINSGWAHJQ-VABKMULXSA-N 1 0 499.103 4.195 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[N@@H+](CC)CCC)CC1 ZINC001359030872 1068639336 /nfs/dbraw/zinc/63/93/36/1068639336.db2.gz JEPQSNLSYAXWCC-UHFFFAOYSA-N 1 0 471.074 4.300 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359031332 1068641080 /nfs/dbraw/zinc/64/10/80/1068641080.db2.gz YLAVGJDBLCTVCW-UHFFFAOYSA-N 1 0 499.501 4.119 20 30 JIEDRO C#CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001300424687 1068656695 /nfs/dbraw/zinc/65/66/95/1068656695.db2.gz KSBTURXPFYJMBK-TZRRMPRUSA-N 1 0 492.668 4.173 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359048969 1068666168 /nfs/dbraw/zinc/66/61/68/1068666168.db2.gz FKQHVLKAVCAWIE-HXUWFJFHSA-N 1 0 471.646 4.378 20 30 JIEDRO C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001359050588 1068674291 /nfs/dbraw/zinc/67/42/91/1068674291.db2.gz VLJRHEHMYIHUAL-QGZVFWFLSA-N 1 0 494.478 4.381 20 30 JIEDRO C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001359050543 1068674463 /nfs/dbraw/zinc/67/44/63/1068674463.db2.gz UJHXDHNMPXHXPM-SFHVURJKSA-N 1 0 476.488 4.242 20 30 JIEDRO C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359050586 1068674525 /nfs/dbraw/zinc/67/45/25/1068674525.db2.gz VKBRMXSCAINPDS-SFHVURJKSA-N 1 0 492.462 4.278 20 30 JIEDRO C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359053118 1068683352 /nfs/dbraw/zinc/68/33/52/1068683352.db2.gz CAIUPKDOIXBAPN-GOSISDBHSA-N 1 0 474.472 4.139 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359067088 1068715113 /nfs/dbraw/zinc/71/51/13/1068715113.db2.gz ADXIEFOQDDTHPP-PKTZIBPZSA-N 1 0 460.047 4.037 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359067660 1068717286 /nfs/dbraw/zinc/71/72/86/1068717286.db2.gz WWDFRHQOLBCBDC-ATIYNZHBSA-N 1 0 451.615 4.075 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001359074576 1068731132 /nfs/dbraw/zinc/73/11/32/1068731132.db2.gz JBMCIMWHJVUYCO-XMMPIXPASA-N 1 0 474.074 4.063 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359074930 1068732674 /nfs/dbraw/zinc/73/26/74/1068732674.db2.gz XBHGCBPAEANTQD-OREGWCPLSA-N 1 0 484.689 4.463 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359080346 1068750077 /nfs/dbraw/zinc/75/00/77/1068750077.db2.gz ONYWUWHVCPKQMT-UHFFFAOYSA-N 1 0 455.404 4.322 20 30 JIEDRO C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001359080866 1068752643 /nfs/dbraw/zinc/75/26/43/1068752643.db2.gz GZMBVTJCVJQZTB-GOSISDBHSA-N 1 0 483.414 4.141 20 30 JIEDRO C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC001359083831 1068759839 /nfs/dbraw/zinc/75/98/39/1068759839.db2.gz RUOBHFUKHGAVFM-NRFANRHFSA-N 1 0 480.495 4.419 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001359085658 1068765299 /nfs/dbraw/zinc/76/52/99/1068765299.db2.gz VIBBWAJWKKVGKP-HXUWFJFHSA-N 1 0 481.442 4.273 20 30 JIEDRO C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359087547 1068770781 /nfs/dbraw/zinc/77/07/81/1068770781.db2.gz JFKYRPFHRSQWLT-QGZVFWFLSA-N 1 0 466.399 4.073 20 30 JIEDRO C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001300457504 1068781790 /nfs/dbraw/zinc/78/17/90/1068781790.db2.gz FLHLMRWFYAWUKN-RTWAWAEBSA-N 1 0 498.697 4.361 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359092981 1068792803 /nfs/dbraw/zinc/79/28/03/1068792803.db2.gz ISXSFLDNJYJQEC-PZJWPPBQSA-N 1 0 475.584 4.448 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001359093514 1068794921 /nfs/dbraw/zinc/79/49/21/1068794921.db2.gz OQDHIRRSXXPCPU-SSPYTLHUSA-N 1 0 453.631 4.103 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001359095564 1068800025 /nfs/dbraw/zinc/80/00/25/1068800025.db2.gz PLMRRFKMUJGSTR-SSPYTLHUSA-N 1 0 453.631 4.103 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359096120 1068801560 /nfs/dbraw/zinc/80/15/60/1068801560.db2.gz XFZBLUTYSQHACV-OFVILXPXSA-N 1 0 483.657 4.300 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001359097334 1068802608 /nfs/dbraw/zinc/80/26/08/1068802608.db2.gz NSKXKJCGNQHWBC-ZEQRLZLVSA-N 1 0 452.647 4.270 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359103307 1068809289 /nfs/dbraw/zinc/80/92/89/1068809289.db2.gz MQCNRHNAIIOICX-DHLKQENFSA-N 1 0 467.658 4.376 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359103338 1068809688 /nfs/dbraw/zinc/80/96/88/1068809688.db2.gz NAROTCFPDXPOBT-YKSBVNFPSA-N 1 0 474.049 4.270 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359105166 1068813732 /nfs/dbraw/zinc/81/37/32/1068813732.db2.gz KTVWICWHIXVIIU-SQJMNOBHSA-N 1 0 485.698 4.481 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359113511 1068823072 /nfs/dbraw/zinc/82/30/72/1068823072.db2.gz KNQIGLOSYGRBRC-FGZHOGPDSA-N 1 0 490.693 4.111 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001359118909 1068829598 /nfs/dbraw/zinc/82/95/98/1068829598.db2.gz JYFLFOJGLHCLGB-UHFFFAOYSA-N 1 0 484.446 4.081 20 30 JIEDRO C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359127939 1068838309 /nfs/dbraw/zinc/83/83/09/1068838309.db2.gz FFRGDNUOTAADAA-SZPZYZBQSA-N 1 0 487.092 4.186 20 30 JIEDRO C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001359143006 1068852611 /nfs/dbraw/zinc/85/26/11/1068852611.db2.gz RZORSOYMOBTVTN-HKUYNNGSSA-N 1 0 468.429 4.371 20 30 JIEDRO C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001359168743 1068879232 /nfs/dbraw/zinc/87/92/32/1068879232.db2.gz HQZHUDCBYNIZMW-QFIPXVFZSA-N 1 0 455.672 4.272 20 30 JIEDRO C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359174786 1068887149 /nfs/dbraw/zinc/88/71/49/1068887149.db2.gz OQWZTIJFGKBNND-NVQXNPDNSA-N 1 0 459.679 4.233 20 30 JIEDRO C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359174783 1068887186 /nfs/dbraw/zinc/88/71/86/1068887186.db2.gz OQWZTIJFGKBNND-ATIYNZHBSA-N 1 0 459.679 4.233 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300512357 1068891551 /nfs/dbraw/zinc/89/15/51/1068891551.db2.gz OZDOJBHYGCNNGE-SWYRRKHMSA-N 1 0 451.590 4.141 20 30 JIEDRO C=CC1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC001359177727 1068892247 /nfs/dbraw/zinc/89/22/47/1068892247.db2.gz ZDMMVWVYIAQILY-QFIPXVFZSA-N 1 0 463.630 4.363 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300513297 1068893433 /nfs/dbraw/zinc/89/34/33/1068893433.db2.gz XXUYMMIUHNFRRW-DENIHFKCSA-N 1 0 468.045 4.493 20 30 JIEDRO C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001359181206 1068903257 /nfs/dbraw/zinc/90/32/57/1068903257.db2.gz JPBMVJHLLQJZDY-OAQYLSRUSA-N 1 0 470.687 4.040 20 30 JIEDRO C=CCCCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001359196705 1068965996 /nfs/dbraw/zinc/96/59/96/1068965996.db2.gz PXSODXWUVWJCDG-QHCPKHFHSA-N 1 0 476.463 4.265 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001300547636 1068988782 /nfs/dbraw/zinc/98/87/82/1068988782.db2.gz PCAITHNXDIQDIY-UBFVSLLYSA-N 1 0 461.654 4.353 20 30 JIEDRO C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300548122 1068990751 /nfs/dbraw/zinc/99/07/51/1068990751.db2.gz WYOTUEPNYIJGAK-UHFFFAOYSA-N 1 0 491.705 4.375 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[NH+]1CCC(C)CC1 ZINC001300548558 1068991700 /nfs/dbraw/zinc/99/17/00/1068991700.db2.gz KNCBSBRZUGXEQE-UHFFFAOYSA-N 1 0 474.436 4.359 20 30 JIEDRO C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001359210362 1068993001 /nfs/dbraw/zinc/99/30/01/1068993001.db2.gz RASSHTNJWWVCQN-QFIPXVFZSA-N 1 0 487.490 4.279 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300548835 1068993127 /nfs/dbraw/zinc/99/31/27/1068993127.db2.gz QDPJUQNLUBNVLG-ZRZAMGCNSA-N 1 0 461.654 4.249 20 30 JIEDRO C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359220372 1069007994 /nfs/dbraw/zinc/00/79/94/1069007994.db2.gz XGCNVZQJDKQWGJ-UHFFFAOYSA-N 1 0 480.440 4.431 20 30 JIEDRO C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001359223583 1069014710 /nfs/dbraw/zinc/01/47/10/1069014710.db2.gz PUJQXZNVYQMZGP-UHFFFAOYSA-N 1 0 478.410 4.114 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300561458 1069033264 /nfs/dbraw/zinc/03/32/64/1069033264.db2.gz RXQUAWJTQCBTQP-SFHVURJKSA-N 1 0 472.406 4.042 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300563378 1069041335 /nfs/dbraw/zinc/04/13/35/1069041335.db2.gz HUNQLJOIHSMXKV-TZIWHRDSSA-N 1 0 461.635 4.490 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300564071 1069044706 /nfs/dbraw/zinc/04/47/06/1069044706.db2.gz SKNLYKOSUGMFTI-SZPZYZBQSA-N 1 0 462.598 4.074 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300564306 1069045626 /nfs/dbraw/zinc/04/56/26/1069045626.db2.gz CKCBZSPPFWMTPH-FQEVSTJZSA-N 1 0 454.018 4.192 20 30 JIEDRO C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC001359246608 1069078676 /nfs/dbraw/zinc/07/86/76/1069078676.db2.gz GQXWJBLALDBXQA-KRWDZBQOSA-N 1 0 461.452 4.465 20 30 JIEDRO C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001359246879 1069080450 /nfs/dbraw/zinc/08/04/50/1069080450.db2.gz NSWHZYSNKIHZIC-HXUWFJFHSA-N 1 0 461.452 4.321 20 30 JIEDRO C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001359246968 1069080530 /nfs/dbraw/zinc/08/05/30/1069080530.db2.gz PRDASKPDMXHHSF-IAGOWNOFSA-N 1 0 461.452 4.321 20 30 JIEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849519490 1069111081 /nfs/dbraw/zinc/11/10/81/1069111081.db2.gz JUADCXFSRPRXSN-DNQXCXABSA-N 1 0 475.568 4.462 20 30 JIEDRO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300597362 1069176356 /nfs/dbraw/zinc/17/63/56/1069176356.db2.gz FWSCCHGYVXVEJL-HSZRJFAPSA-N 1 0 483.060 4.118 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001300612346 1069220585 /nfs/dbraw/zinc/22/05/85/1069220585.db2.gz ZMJJFKMUGBBYON-LJQANCHMSA-N 1 0 467.614 4.241 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359254798 1069225923 /nfs/dbraw/zinc/22/59/23/1069225923.db2.gz CZRIUXSHJNMTPZ-VWLOTQADSA-N 1 0 489.668 4.278 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359255744 1069236645 /nfs/dbraw/zinc/23/66/45/1069236645.db2.gz JDIHVFQNQHZYEJ-SZPZYZBQSA-N 1 0 472.641 4.111 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359255721 1069236804 /nfs/dbraw/zinc/23/68/04/1069236804.db2.gz ITZAIXVBURGVNB-QFIPXVFZSA-N 1 0 494.441 4.440 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359261050 1069282926 /nfs/dbraw/zinc/28/29/26/1069282926.db2.gz VBEUGZQHPKAOOS-UGKGYDQZSA-N 1 0 455.603 4.478 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001359262186 1069287318 /nfs/dbraw/zinc/28/73/18/1069287318.db2.gz LBTCEZRWZFDFOR-DHLKQENFSA-N 1 0 451.640 4.141 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300637649 1069294395 /nfs/dbraw/zinc/29/43/95/1069294395.db2.gz REVIYXUYRBZSSM-FQRUVTKNSA-N 1 0 466.630 4.116 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C ZINC001359264548 1069296179 /nfs/dbraw/zinc/29/61/79/1069296179.db2.gz HUXOMGGVOCNHGA-VWNXMTODSA-N 1 0 492.668 4.000 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001359265226 1069298832 /nfs/dbraw/zinc/29/88/32/1069298832.db2.gz BMZGVJHQPLDVSJ-JOCHJYFZSA-N 1 0 483.661 4.029 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)nnc1C(C)(C)C)C(C)C ZINC001359265893 1069301009 /nfs/dbraw/zinc/30/10/09/1069301009.db2.gz ODYXVBBANPYJNA-GUDVDZBRSA-N 1 0 457.585 4.430 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2ccc(F)cc2C1)C(C)C ZINC001359266365 1069301455 /nfs/dbraw/zinc/30/14/55/1069301455.db2.gz ZEUDSUFHKONLHK-URXFXBBRSA-N 1 0 453.606 4.182 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001359268731 1069306585 /nfs/dbraw/zinc/30/65/85/1069306585.db2.gz ARYZXNFYRIIAMM-QGZVFWFLSA-N 1 0 472.431 4.379 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300641502 1069307980 /nfs/dbraw/zinc/30/79/80/1069307980.db2.gz BAVZFYNTTWLYFH-FQEVSTJZSA-N 1 0 497.018 4.273 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359270506 1069308518 /nfs/dbraw/zinc/30/85/18/1069308518.db2.gz RKHKTYTYQROXED-RBTNQOKQSA-N 1 0 489.668 4.364 20 30 JIEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC2)CC1 ZINC001164618883 719035832 /nfs/dbraw/zinc/03/58/32/719035832.db2.gz ZSFPELXREWAINX-UHFFFAOYSA-N 1 0 462.928 4.282 20 30 JIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664935 719359148 /nfs/dbraw/zinc/35/91/48/719359148.db2.gz SVZGSZUBTMKMJG-IGKIAQTJSA-N 1 0 460.626 4.019 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164712043 720096631 /nfs/dbraw/zinc/09/66/31/720096631.db2.gz UMGPENWZWBZOTI-IBGZPJMESA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164712044 720096650 /nfs/dbraw/zinc/09/66/50/720096650.db2.gz UMGPENWZWBZOTI-LJQANCHMSA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164717487 720122032 /nfs/dbraw/zinc/12/20/32/720122032.db2.gz PMTICQPZYNKEHX-LJQANCHMSA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164719132 720126637 /nfs/dbraw/zinc/12/66/37/720126637.db2.gz WNHXJIRVKIVUED-VWNXMTODSA-N 1 0 486.595 4.174 20 30 JIEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164839011 720726820 /nfs/dbraw/zinc/72/68/20/720726820.db2.gz KGQYYEVFNGUISZ-QFIPXVFZSA-N 1 0 457.534 4.275 20 30 JIEDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)CC[C@H]2C1 ZINC001164856679 720893755 /nfs/dbraw/zinc/89/37/55/720893755.db2.gz GDUMWKDSINJFJU-LIRRHRJNSA-N 1 0 485.362 4.132 20 30 JIEDRO N#Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164753811 720910395 /nfs/dbraw/zinc/91/03/95/720910395.db2.gz UFARYPSPTLNNLD-RBJSKKJNSA-N 1 0 453.590 4.257 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164783882 721451519 /nfs/dbraw/zinc/45/15/19/721451519.db2.gz CXPHKNZZSWVJNN-RUZDIDTESA-N 1 0 478.612 4.493 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164786851 721452102 /nfs/dbraw/zinc/45/21/02/721452102.db2.gz NYXSDWDMDJHFGO-IZZNHLLZSA-N 1 0 489.664 4.174 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164786524 721462472 /nfs/dbraw/zinc/46/24/72/721462472.db2.gz ONVLVKBKRGNBQO-ISKFKSNPSA-N 1 0 493.627 4.005 20 30 JIEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1F ZINC001164909936 721536782 /nfs/dbraw/zinc/53/67/82/721536782.db2.gz SOFMGYOOCBRLKS-IEBWSBKVSA-N 1 0 467.907 4.289 20 30 JIEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164807404 721557142 /nfs/dbraw/zinc/55/71/42/721557142.db2.gz SXBLFTVMMIYANS-JRFVFWCSSA-N 1 0 478.959 4.071 20 30 JIEDRO N#C[C@H](c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1)c1ccccc1F ZINC001164906760 721712378 /nfs/dbraw/zinc/71/23/78/721712378.db2.gz NZXDTHQDBLNFLB-OFVILXPXSA-N 1 0 478.522 4.404 20 30 JIEDRO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c(Cl)n1 ZINC001165025504 721817025 /nfs/dbraw/zinc/81/70/25/721817025.db2.gz NBVJPJWIAMMHHS-ZAAXVRCTSA-N 1 0 461.944 4.292 20 30 JIEDRO CN(CC1CC[NH+](C)CC1)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC001165043380 721936611 /nfs/dbraw/zinc/93/66/11/721936611.db2.gz VALWMUBYUZTTDW-JOCHJYFZSA-N 1 0 484.025 4.100 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164975305 722159556 /nfs/dbraw/zinc/15/95/56/722159556.db2.gz SAGFKXAPFBFJPM-GCJKJVERSA-N 1 0 465.960 4.330 20 30 JIEDRO 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 1069311227 /nfs/dbraw/zinc/31/12/27/1069311227.db2.gz MIZIVMYZNKWXSE-QHAWAJNXSA-N 1 0 458.651 4.102 20 30 JIEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)[NH+]1CCCC1 ZINC001359274414 1069311320 /nfs/dbraw/zinc/31/13/20/1069311320.db2.gz MKYKMJGYQSWUSF-SFTDATJTSA-N 1 0 458.651 4.403 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300643170 1069312923 /nfs/dbraw/zinc/31/29/23/1069312923.db2.gz PYMZSIKAPOMHQE-VXKWHMMOSA-N 1 0 462.617 4.431 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCC[N@H+]1CC ZINC001359279079 1069319040 /nfs/dbraw/zinc/31/90/40/1069319040.db2.gz RZBVKELIFMGMAM-GOSISDBHSA-N 1 0 480.426 4.360 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359279203 1069319711 /nfs/dbraw/zinc/31/97/11/1069319711.db2.gz WZZHBEKNUGZEPQ-MHECFPHRSA-N 1 0 475.728 4.208 20 30 JIEDRO C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359286922 1069332254 /nfs/dbraw/zinc/33/22/54/1069332254.db2.gz AWYFOUFBUBYUTI-HXUWFJFHSA-N 1 0 458.651 4.033 20 30 JIEDRO C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359297125 1069343605 /nfs/dbraw/zinc/34/36/05/1069343605.db2.gz GHASOJOIARYUCO-HXUWFJFHSA-N 1 0 485.076 4.382 20 30 JIEDRO C=CCOc1ccc(Cn2c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)cc1 ZINC001359308397 1069349596 /nfs/dbraw/zinc/34/95/96/1069349596.db2.gz NAWHMFJOIZVJCO-WIOPSUGQSA-N 1 0 491.684 4.442 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001359312810 1069357160 /nfs/dbraw/zinc/35/71/60/1069357160.db2.gz BKYPXZSQHRZDPD-PKTZIBPZSA-N 1 0 451.615 4.078 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001359314645 1069361405 /nfs/dbraw/zinc/36/14/05/1069361405.db2.gz FLYASBUASSKTMS-IMSXRSKXSA-N 1 0 453.631 4.103 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001359316966 1069370487 /nfs/dbraw/zinc/37/04/87/1069370487.db2.gz ZRYWYTXXJCZLQZ-HKUYNNGSSA-N 1 0 492.437 4.360 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359316678 1069369198 /nfs/dbraw/zinc/36/91/98/1069369198.db2.gz UAFNTFCIADOHNA-LOSJGSFVSA-N 1 0 481.685 4.381 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001359323130 1069375205 /nfs/dbraw/zinc/37/52/05/1069375205.db2.gz ITAVKMCPAOCQJS-NRFANRHFSA-N 1 0 476.090 4.131 20 30 JIEDRO C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359343037 1069408814 /nfs/dbraw/zinc/40/88/14/1069408814.db2.gz KXAMWWIMSGIIMG-JOCHJYFZSA-N 1 0 471.671 4.268 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[N@H+](C)C(C)C ZINC001300677769 1069433277 /nfs/dbraw/zinc/43/32/77/1069433277.db2.gz APXSGADWFUIECM-DEOSSOPVSA-N 1 0 456.660 4.439 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359469102 1069613797 /nfs/dbraw/zinc/61/37/97/1069613797.db2.gz YLDYBUQFAJOIFL-JLTOFOAXSA-N 1 0 497.894 4.394 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001359470075 1069617763 /nfs/dbraw/zinc/61/77/63/1069617763.db2.gz QFHKYCVGQUIHTD-FUHWJXTLSA-N 1 0 456.019 4.488 20 30 JIEDRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 ZINC001359475521 1069629208 /nfs/dbraw/zinc/62/92/08/1069629208.db2.gz MGDKQVJMQWWMKK-NHCUHLMSSA-N 1 0 470.625 4.242 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001359527963 1069818020 /nfs/dbraw/zinc/81/80/20/1069818020.db2.gz CJHVYUCOOVSNEC-UHFFFAOYSA-N 1 0 464.658 4.002 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 ZINC001359548289 1069854690 /nfs/dbraw/zinc/85/46/90/1069854690.db2.gz VCWVBVHYEIRRLB-UHFFFAOYSA-N 1 0 450.509 4.054 20 30 JIEDRO CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359588008 1070022142 /nfs/dbraw/zinc/02/21/42/1070022142.db2.gz HBIUNQNNLBHDCL-UUWRZZSWSA-N 1 0 482.698 4.066 20 30 JIEDRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001359597705 1070051808 /nfs/dbraw/zinc/05/18/08/1070051808.db2.gz AGOWCUXYXJYMLO-JOCHJYFZSA-N 1 0 474.451 4.288 20 30 JIEDRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359623987 1070106096 /nfs/dbraw/zinc/10/60/96/1070106096.db2.gz LCMLXYPXCUAXLX-UHFFFAOYSA-N 1 0 491.684 4.214 20 30 JIEDRO CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359644746 1070188705 /nfs/dbraw/zinc/18/87/05/1070188705.db2.gz XXABCSMNPLPGLM-UHFFFAOYSA-N 1 0 450.631 4.048 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCC1 ZINC001359659227 1070264165 /nfs/dbraw/zinc/26/41/65/1070264165.db2.gz SGEOTADRLNMLSX-KNQAVFIVSA-N 1 0 493.400 4.409 20 30 JIEDRO CC(C)c1csc([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC[NH+](C)C)C2)n1 ZINC001359669436 1070310101 /nfs/dbraw/zinc/31/01/01/1070310101.db2.gz LXZHYGOWOAICLA-JOCHJYFZSA-N 1 0 493.681 4.359 20 30 JIEDRO CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359700913 1070365688 /nfs/dbraw/zinc/36/56/88/1070365688.db2.gz CMYIVJCCFQXUEA-HSZRJFAPSA-N 1 0 450.631 4.441 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315663899 1064871549 /nfs/dbraw/zinc/87/15/49/1064871549.db2.gz HIAOTILYBROCHJ-FQEVSTJZSA-N 1 0 456.660 4.295 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001315665059 1064877840 /nfs/dbraw/zinc/87/78/40/1064877840.db2.gz PBKDFKCXYACNRI-XMMPIXPASA-N 1 0 486.711 4.146 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CC1 ZINC001315710516 1064986674 /nfs/dbraw/zinc/98/66/74/1064986674.db2.gz WHDYIUIDWCDQRQ-DHIUTWEWSA-N 1 0 486.705 4.216 20 30 JIEDRO COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001315791658 1065133150 /nfs/dbraw/zinc/13/31/50/1065133150.db2.gz DHAOBOFYBWLTGM-CQOQZXRMSA-N 1 0 480.657 4.102 20 30 JIEDRO 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467.702 4.418 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001358999578 1068569922 /nfs/dbraw/zinc/56/99/22/1068569922.db2.gz WBUVWOVFEGWQHB-SMIHKQSGSA-N 1 0 496.700 4.024 20 30 JIEDRO C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359002058 1068572592 /nfs/dbraw/zinc/57/25/92/1068572592.db2.gz MGMQCFJSXZFHEZ-UHFFFAOYSA-N 1 0 471.074 4.299 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359008839 1068582436 /nfs/dbraw/zinc/58/24/36/1068582436.db2.gz BLKAZVGFFOCSHH-XXAUWVGASA-N 1 0 486.705 4.363 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001359014289 1068591355 /nfs/dbraw/zinc/59/13/55/1068591355.db2.gz DCXLNUHBHVCSPK-GOTSBHOMSA-N 1 0 480.657 4.421 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359015343 1068593676 /nfs/dbraw/zinc/59/36/76/1068593676.db2.gz QJRYMBXIWXBKHO-UHFFFAOYSA-N 1 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JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359030255 1068636376 /nfs/dbraw/zinc/63/63/76/1068636376.db2.gz RLCWHBVCZTXYRB-DHIUTWEWSA-N 1 0 499.103 4.481 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359032402 1068644746 /nfs/dbraw/zinc/64/47/46/1068644746.db2.gz NCCBJPBMWAFYBY-PSWAGMNNSA-N 1 0 462.686 4.021 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001359041997 1068656845 /nfs/dbraw/zinc/65/68/45/1068656845.db2.gz NZBLTFUKRBYZCZ-HSZRJFAPSA-N 1 0 490.652 4.024 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001359062993 1068703503 /nfs/dbraw/zinc/70/35/03/1068703503.db2.gz ACEPXDYCFBRYKB-QDPGVEIFSA-N 1 0 492.668 4.034 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359066201 1068711747 /nfs/dbraw/zinc/71/17/47/1068711747.db2.gz RBTSAXCBJJIELE-PIIWDFAUSA-N 1 0 495.668 4.474 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359066313 1068712526 /nfs/dbraw/zinc/71/25/26/1068712526.db2.gz WULOIFASGCZULV-PMAPCBKXSA-N 1 0 473.463 4.396 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001359067155 1068715480 /nfs/dbraw/zinc/71/54/80/1068715480.db2.gz CRHPTIKDERZCIX-HFZDXXHNSA-N 1 0 451.615 4.217 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)[NH+](CC)CC ZINC001359067646 1068717397 /nfs/dbraw/zinc/71/73/97/1068717397.db2.gz WKPNRBTXRPHVLE-GAJHUEQPSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001359067768 1068718206 /nfs/dbraw/zinc/71/82/06/1068718206.db2.gz AILZIZLRESLIES-NTKDMRAZSA-N 1 0 486.458 4.057 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001359073718 1068728040 /nfs/dbraw/zinc/72/80/40/1068728040.db2.gz BSGGLRPVVDZROQ-JOCHJYFZSA-N 1 0 467.511 4.263 20 30 JIEDRO C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359078721 1068741291 /nfs/dbraw/zinc/74/12/91/1068741291.db2.gz LNHRISCQLBJYKJ-MRXNPFEDSA-N 1 0 490.446 4.182 20 30 JIEDRO C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359087729 1068771650 /nfs/dbraw/zinc/77/16/50/1068771650.db2.gz PBKAPBPDZWRJFA-UHFFFAOYSA-N 1 0 462.436 4.249 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359091580 1068787534 /nfs/dbraw/zinc/78/75/34/1068787534.db2.gz PAFRIMAOBKIKEQ-VIZSFHNOSA-N 1 0 471.621 4.459 20 30 JIEDRO C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001300459272 1068788556 /nfs/dbraw/zinc/78/85/56/1068788556.db2.gz QWKVHVZGDWAVFN-OAQYLSRUSA-N 1 0 498.697 4.361 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001359103327 1068809589 /nfs/dbraw/zinc/80/95/89/1068809589.db2.gz MVXAUNAOPGTFFV-ATIYNZHBSA-N 1 0 478.641 4.021 20 30 JIEDRO 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C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001359120352 1068831833 /nfs/dbraw/zinc/83/18/33/1068831833.db2.gz ZIMHWXIJBWEYOR-SFHVURJKSA-N 1 0 462.436 4.221 20 30 JIEDRO C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001359127938 1068838368 /nfs/dbraw/zinc/83/83/68/1068838368.db2.gz FFRGDNUOTAADAA-FGZHOGPDSA-N 1 0 487.092 4.186 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359136820 1068846588 /nfs/dbraw/zinc/84/65/88/1068846588.db2.gz VQHNMVXTVLCNRR-UHFFFAOYSA-N 1 0 455.647 4.278 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359146025 1068858170 /nfs/dbraw/zinc/85/81/70/1068858170.db2.gz KZMXZAXQRDCXDZ-UHFFFAOYSA-N 1 0 466.811 4.001 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001359146439 1068858855 /nfs/dbraw/zinc/85/88/55/1068858855.db2.gz YSRNAKJFJJOSMO-OALUTQOASA-N 1 0 493.483 4.354 20 30 JIEDRO COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300494017 1068861540 /nfs/dbraw/zinc/86/15/40/1068861540.db2.gz ZWGITZSRCXWMBK-RUZDIDTESA-N 1 0 454.594 4.154 20 30 JIEDRO C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001359168945 1068879747 /nfs/dbraw/zinc/87/97/47/1068879747.db2.gz OEPDIFOCLCFMEI-NHCUHLMSSA-N 1 0 471.671 4.235 20 30 JIEDRO C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359172942 1068884931 /nfs/dbraw/zinc/88/49/31/1068884931.db2.gz OJMNUBUMXZFQBJ-JOCHJYFZSA-N 1 0 450.631 4.282 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC[NH+]1CCCC1 ZINC001300512656 1068892468 /nfs/dbraw/zinc/89/24/68/1068892468.db2.gz RUNOFXHZSVDLHN-OAQYLSRUSA-N 1 0 454.018 4.247 20 30 JIEDRO C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001359179793 1068899412 /nfs/dbraw/zinc/89/94/12/1068899412.db2.gz GSECXUFHJSQJIF-UHFFFAOYSA-N 1 0 467.658 4.169 20 30 JIEDRO 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C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC001359246969 1069080422 /nfs/dbraw/zinc/08/04/22/1069080422.db2.gz PRDASKPDMXHHSF-IRXDYDNUSA-N 1 0 461.452 4.321 20 30 JIEDRO C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC001359247938 1069093617 /nfs/dbraw/zinc/09/36/17/1069093617.db2.gz UVXLKTHLHVLZTF-KRWDZBQOSA-N 1 0 461.452 4.465 20 30 JIEDRO C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC001359248309 1069106789 /nfs/dbraw/zinc/10/67/89/1069106789.db2.gz IPGFEUBMAACVHT-UHFFFAOYSA-N 1 0 491.453 4.028 20 30 JIEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cn1 ZINC000849525915 1069121647 /nfs/dbraw/zinc/12/16/47/1069121647.db2.gz PORLLFXCPVPLMR-IAGOWNOFSA-N 1 0 451.518 4.119 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300590717 1069152165 /nfs/dbraw/zinc/15/21/65/1069152165.db2.gz FPRDVVSBTZQCBQ-DEOSSOPVSA-N 1 0 461.635 4.301 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001300591453 1069156108 /nfs/dbraw/zinc/15/61/08/1069156108.db2.gz QDOXXTOLYCYIHJ-UHFFFAOYSA-N 1 0 472.681 4.103 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300591536 1069156842 /nfs/dbraw/zinc/15/68/42/1069156842.db2.gz SDOKZFMUNCLDOP-QDPGVEIFSA-N 1 0 456.638 4.255 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300596183 1069173819 /nfs/dbraw/zinc/17/38/19/1069173819.db2.gz VCGMCOGJVJEMST-OYRHEFFESA-N 1 0 486.085 4.186 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300608649 1069207303 /nfs/dbraw/zinc/20/73/03/1069207303.db2.gz ATDBAIWDNHDSNO-GOSISDBHSA-N 1 0 474.447 4.440 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300613208 1069222791 /nfs/dbraw/zinc/22/27/91/1069222791.db2.gz AOSFPYMKOBPNSD-PMACEKPBSA-N 1 0 453.631 4.178 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001300626905 1069262455 /nfs/dbraw/zinc/26/24/55/1069262455.db2.gz ZLVMQEJAFCCVAZ-XZOQPEGZSA-N 1 0 480.657 4.155 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359260067 1069279326 /nfs/dbraw/zinc/27/93/26/1069279326.db2.gz RRNGCIZOPPIXJY-HXUWFJFHSA-N 1 0 451.594 4.131 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359261297 1069283395 /nfs/dbraw/zinc/28/33/95/1069283395.db2.gz CZROMTMPNIRIQI-YADARESESA-N 1 0 458.676 4.181 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001359262858 1069291798 /nfs/dbraw/zinc/29/17/98/1069291798.db2.gz HUIOZPAAUFVRDB-QFIPXVFZSA-N 1 0 463.586 4.431 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001359266296 1069301386 /nfs/dbraw/zinc/30/13/86/1069301386.db2.gz XURRXXBSUOYZBH-KSCKTEMCSA-N 1 0 494.684 4.121 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1)C(C)C ZINC001359266233 1069301521 /nfs/dbraw/zinc/30/15/21/1069301521.db2.gz WUPJEANFMRXRPY-VWLOTQADSA-N 1 0 497.732 4.362 20 30 JIEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C)C2 ZINC001164812392 720148151 /nfs/dbraw/zinc/14/81/51/720148151.db2.gz ADYGJFAZEHJHEJ-SKCUWOTOSA-N 1 0 496.772 4.480 20 30 JIEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2 ZINC001164813920 720203778 /nfs/dbraw/zinc/20/37/78/720203778.db2.gz QUXHIZUJDVHQOS-HYBUGGRVSA-N 1 0 487.982 4.398 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838778 720611258 /nfs/dbraw/zinc/61/12/58/720611258.db2.gz LTPDQBQGVABRDN-OHSXHVKISA-N 1 0 470.621 4.301 20 30 JIEDRO N#Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164747877 720872623 /nfs/dbraw/zinc/87/26/23/720872623.db2.gz BZVOEPMUQRXKHC-XUZZJYLKSA-N 1 0 487.982 4.302 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868112 721198397 /nfs/dbraw/zinc/19/83/97/721198397.db2.gz KTYLSMWVAJQMRY-MSOLQXFVSA-N 1 0 451.933 4.082 20 30 JIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908949 721716757 /nfs/dbraw/zinc/71/67/57/721716757.db2.gz ZVMCZTHMHCYSHM-IBGZPJMESA-N 1 0 453.871 4.284 20 30 JIEDRO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001165025500 721817073 /nfs/dbraw/zinc/81/70/73/721817073.db2.gz NBVJPJWIAMMHHS-QKYXUNIQSA-N 1 0 461.944 4.292 20 30 JIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(C#N)cnc3cnc(Cl)cc32)CC1 ZINC001165020284 721838855 /nfs/dbraw/zinc/83/88/55/721838855.db2.gz HKYSNMDQVBBJTF-UHFFFAOYSA-N 1 0 451.958 4.273 20 30 JIEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(C[NH+](C)C)CC2)cc1C ZINC001165045367 721948861 /nfs/dbraw/zinc/94/88/61/721948861.db2.gz RCKKKZZOEPFHTE-XMMPIXPASA-N 1 0 477.634 4.063 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164975304 722159468 /nfs/dbraw/zinc/15/94/68/722159468.db2.gz SAGFKXAPFBFJPM-AVRDEDQJSA-N 1 0 465.960 4.330 20 30 JIEDRO C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359276013 1069313381 /nfs/dbraw/zinc/31/33/81/1069313381.db2.gz NVGZFTOPXHVWJF-UHFFFAOYSA-N 1 0 477.653 4.409 20 30 JIEDRO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359277583 1069316201 /nfs/dbraw/zinc/31/62/01/1069316201.db2.gz QDYRYEGZLSEYHB-XJUOHMSHSA-N 1 0 471.646 4.236 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359278798 1069318485 /nfs/dbraw/zinc/31/84/85/1069318485.db2.gz HOAHCIWCCZQDFX-NHCUHLMSSA-N 1 0 450.631 4.212 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359278800 1069318652 /nfs/dbraw/zinc/31/86/52/1069318652.db2.gz HOAHCIWCCZQDFX-SFTDATJTSA-N 1 0 450.631 4.212 20 30 JIEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359284964 1069329353 /nfs/dbraw/zinc/32/93/53/1069329353.db2.gz XENYZRFNWACZOW-HDICACEKSA-N 1 0 474.447 4.219 20 30 JIEDRO C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001359308093 1069348685 /nfs/dbraw/zinc/34/86/85/1069348685.db2.gz DHHCFJCZGNSEQA-UHFFFAOYSA-N 1 0 451.640 4.464 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001359311940 1069355955 /nfs/dbraw/zinc/35/59/55/1069355955.db2.gz LCSWBNYBYVAMLG-STWLZBDKSA-N 1 0 494.684 4.297 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300656416 1069352258 /nfs/dbraw/zinc/35/22/58/1069352258.db2.gz GYDVUIBSCDUIHR-FQEVSTJZSA-N 1 0 469.699 4.482 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001359314071 1069359719 /nfs/dbraw/zinc/35/97/19/1069359719.db2.gz VTOQYTLVVJRBPM-NNMXDRDESA-N 1 0 460.022 4.195 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001359314073 1069360061 /nfs/dbraw/zinc/36/00/61/1069360061.db2.gz VTOQYTLVVJRBPM-XQBPLPMBSA-N 1 0 460.022 4.195 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001359314961 1069363113 /nfs/dbraw/zinc/36/31/13/1069363113.db2.gz LEXPBZQEAYSNCP-QGZVFWFLSA-N 1 0 480.476 4.282 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001359316993 1069370645 /nfs/dbraw/zinc/37/06/45/1069370645.db2.gz ACHICHNDEXOROF-GCJKJVERSA-N 1 0 455.006 4.021 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001359323345 1069376308 /nfs/dbraw/zinc/37/63/08/1069376308.db2.gz MKPLLLVBWVMIFL-YADHBBJMSA-N 1 0 455.603 4.154 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300665548 1069385831 /nfs/dbraw/zinc/38/58/31/1069385831.db2.gz MVXKWWMHGYYNMM-IBGZPJMESA-N 1 0 474.447 4.058 20 30 JIEDRO C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001359337954 1069396471 /nfs/dbraw/zinc/39/64/71/1069396471.db2.gz HFKLUKLSOPVXLC-LJQANCHMSA-N 1 0 462.063 4.066 20 30 JIEDRO C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359341376 1069405123 /nfs/dbraw/zinc/40/51/23/1069405123.db2.gz VKNNEGDJDJTQIV-NZQKXSOJSA-N 1 0 465.671 4.087 20 30 JIEDRO C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359345695 1069414779 /nfs/dbraw/zinc/41/47/79/1069414779.db2.gz NPSFJRIQZIBGMH-UHFFFAOYSA-N 1 0 455.672 4.458 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359468552 1069611146 /nfs/dbraw/zinc/61/11/46/1069611146.db2.gz MZMFWUBGKNMNKA-PMACEKPBSA-N 1 0 470.687 4.372 20 30 JIEDRO CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCCCC[NH+]1CCCC1 ZINC001359513366 1069798652 /nfs/dbraw/zinc/79/86/52/1069798652.db2.gz QNTJUHHBNSAYTN-UHFFFAOYSA-N 1 0 478.689 4.215 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359534134 1069826880 /nfs/dbraw/zinc/82/68/80/1069826880.db2.gz PEUBYLQUSXDCAU-MHZLTWQESA-N 1 0 464.658 4.002 20 30 JIEDRO CC(C)(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001359578460 1069990046 /nfs/dbraw/zinc/99/00/46/1069990046.db2.gz GNFVUSAHGSLRKT-UHFFFAOYSA-N 1 0 473.625 4.358 20 30 JIEDRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCCC1 ZINC001359597706 1070051866 /nfs/dbraw/zinc/05/18/66/1070051866.db2.gz AGOWCUXYXJYMLO-QFIPXVFZSA-N 1 0 474.451 4.288 20 30 JIEDRO CC(C)[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001359665934 1070299823 /nfs/dbraw/zinc/29/98/23/1070299823.db2.gz JHNWKMOYAHFGMS-RXVVDRJESA-N 1 0 489.462 4.478 20 30 JIEDRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315603496 1064714972 /nfs/dbraw/zinc/71/49/72/1064714972.db2.gz GIXUTOJZTRBNAC-LVXARBLLSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315621340 1064756214 /nfs/dbraw/zinc/75/62/14/1064756214.db2.gz DHMJPZRGRPETNL-NHCUHLMSSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315626939 1064771361 /nfs/dbraw/zinc/77/13/61/1064771361.db2.gz IJHVBKLYEHFINT-LVXARBLLSA-N 1 0 450.631 4.272 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC1CC[NH+](C2CC2)CC1 ZINC001315661985 1064863088 /nfs/dbraw/zinc/86/30/88/1064863088.db2.gz YNTVOKRLFOSZDS-GOSISDBHSA-N 1 0 454.644 4.192 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315667987 1064889594 /nfs/dbraw/zinc/88/95/94/1064889594.db2.gz RYGLSZARMQYZMV-HFZDXXHNSA-N 1 0 498.697 4.210 20 30 JIEDRO CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315689366 1064943494 /nfs/dbraw/zinc/94/34/94/1064943494.db2.gz FEJZLQRVPTVJPJ-LADGPHEKSA-N 1 0 480.657 4.102 20 30 JIEDRO CO[C@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001315691978 1064949072 /nfs/dbraw/zinc/94/90/72/1064949072.db2.gz RUSHFDDLZXQWMH-ZEQRLZLVSA-N 1 0 464.658 4.266 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC001315721611 1065017791 /nfs/dbraw/zinc/01/77/91/1065017791.db2.gz XDBMWNTUQPGEPS-MIZPHKNDSA-N 1 0 450.631 4.188 20 30 JIEDRO COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315891901 1065351860 /nfs/dbraw/zinc/35/18/60/1065351860.db2.gz BSJMHYRQOKHOCD-JTHBVZDNSA-N 1 0 450.631 4.192 20 30 JIEDRO COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316092387 1065752067 /nfs/dbraw/zinc/75/20/67/1065752067.db2.gz TUCLCDZPXYIWDP-XMMPIXPASA-N 1 0 476.625 4.492 20 30 JIEDRO COCCN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316096232 1065759538 /nfs/dbraw/zinc/75/95/38/1065759538.db2.gz ZNWBPCBLISDTGQ-NHCUHLMSSA-N 1 0 462.598 4.183 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316100336 1065767391 /nfs/dbraw/zinc/76/73/91/1065767391.db2.gz NXRRVOZPYKPJHT-RBUKOAKNSA-N 1 0 489.462 4.194 20 30 JIEDRO CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccc(C)o2)CC[NH+](C)CC1 ZINC001316409904 1066196598 /nfs/dbraw/zinc/19/65/98/1066196598.db2.gz KUDKUSRUNFMSGO-UHFFFAOYSA-N 1 0 480.638 4.094 20 30 JIEDRO C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001337362996 1066477264 /nfs/dbraw/zinc/47/72/64/1066477264.db2.gz KIJNXTRXWABTKH-OAQYLSRUSA-N 1 0 494.444 4.199 20 30 JIEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC001317731930 1066653260 /nfs/dbraw/zinc/65/32/60/1066653260.db2.gz BQQFYFHZURXIJQ-IBGZPJMESA-N 1 0 450.608 4.283 20 30 JIEDRO N#Cc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1Br ZINC001350647681 1066983322 /nfs/dbraw/zinc/98/33/22/1066983322.db2.gz ASJZBXZSUMRCNF-UHFFFAOYSA-N 1 0 455.356 4.388 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001300684194 1067022475 /nfs/dbraw/zinc/02/24/75/1067022475.db2.gz XRLGTGZXGDCMOG-FGZHOGPDSA-N 1 0 487.092 4.174 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC001351224858 1067061416 /nfs/dbraw/zinc/06/14/16/1067061416.db2.gz VNUALGNALASRBY-UYQHSARESA-N 1 0 453.656 4.144 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001300707274 1067075767 /nfs/dbraw/zinc/07/57/67/1067075767.db2.gz CXOBUPPJKINDNS-FCHUYYIVSA-N 1 0 453.606 4.182 20 30 JIEDRO C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300743584 1067239368 /nfs/dbraw/zinc/23/93/68/1067239368.db2.gz VIWQMWYTEVDODK-BGYRXZFFSA-N 1 0 488.101 4.291 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001300745138 1067250130 /nfs/dbraw/zinc/25/01/30/1067250130.db2.gz GUZPBDSCGHLHGP-UHFFFAOYSA-N 1 0 481.069 4.461 20 30 JIEDRO C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001300745817 1067254312 /nfs/dbraw/zinc/25/43/12/1067254312.db2.gz MEQLKHRIONOOPC-KRWDZBQOSA-N 1 0 494.478 4.381 20 30 JIEDRO C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001322152897 1067258012 /nfs/dbraw/zinc/25/80/12/1067258012.db2.gz LACSGTNXEZTMBT-QFIPXVFZSA-N 1 0 474.026 4.032 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001300747010 1067259312 /nfs/dbraw/zinc/25/93/12/1067259312.db2.gz WKZBWPLQANYNSB-NRFANRHFSA-N 1 0 467.042 4.071 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001300781952 1067338028 /nfs/dbraw/zinc/33/80/28/1067338028.db2.gz DZGXAJSNFLZYHA-HHHXNRCGSA-N 1 0 480.657 4.102 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(N(C)C[C@@H](C)C#N)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001300785510 1067346921 /nfs/dbraw/zinc/34/69/21/1067346921.db2.gz DGXLEZQBSVRAEO-NRFANRHFSA-N 1 0 464.658 4.233 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001300785379 1067347035 /nfs/dbraw/zinc/34/70/35/1067347035.db2.gz PQJIQCLGSCPDMK-ZBLYBZFDSA-N 1 0 498.647 4.366 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300786193 1067348399 /nfs/dbraw/zinc/34/83/99/1067348399.db2.gz FHIYKYNICBRAPX-FMGHJNRGSA-N 1 0 479.669 4.264 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001300789023 1067356464 /nfs/dbraw/zinc/35/64/64/1067356464.db2.gz VGQGRXTZTUJXAK-JYFHCDHNSA-N 1 0 453.631 4.321 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300789414 1067357265 /nfs/dbraw/zinc/35/72/65/1067357265.db2.gz LNFZFJZFDTWBQU-AUSIDOKSSA-N 1 0 450.568 4.210 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300789578 1067357822 /nfs/dbraw/zinc/35/78/22/1067357822.db2.gz QDZRLPDXRXXEEA-HOYKHHGWSA-N 1 0 486.458 4.440 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001300029699 1067414650 /nfs/dbraw/zinc/41/46/50/1067414650.db2.gz UKFMZIUQALKVCS-NHCUHLMSSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+](C)C2CCCCC2)c(OC)c1 ZINC001300051289 1067514473 /nfs/dbraw/zinc/51/44/73/1067514473.db2.gz GCKRTVZVWMRCPV-SANMLTNESA-N 1 0 466.630 4.357 20 30 JIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)c3ccc(Br)cc3C#N)cc2)C[C@H](C)O1 ZINC001300161694 1067816581 /nfs/dbraw/zinc/81/65/81/1067816581.db2.gz AHAPQOBRWDIWLT-CALCHBBNSA-N 1 0 456.384 4.202 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300277060 1068061480 /nfs/dbraw/zinc/06/14/80/1068061480.db2.gz WBRARNAHHWJQIL-HSALFYBXSA-N 1 0 483.657 4.185 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(SC)CC[NH+](C)CC1 ZINC001300282222 1068075455 /nfs/dbraw/zinc/07/54/55/1068075455.db2.gz NNWDYGZLJBINQJ-CQSZACIVSA-N 1 0 468.490 4.054 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300285024 1068082623 /nfs/dbraw/zinc/08/26/23/1068082623.db2.gz RQKGLVKUHDDVHW-RLWLMLJZSA-N 1 0 466.630 4.260 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300285572 1068084420 /nfs/dbraw/zinc/08/44/20/1068084420.db2.gz XWECMJPXFREBAO-SANMLTNESA-N 1 0 466.630 4.118 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001300289084 1068090347 /nfs/dbraw/zinc/09/03/47/1068090347.db2.gz DZULSCRCSBEEJU-JOCHJYFZSA-N 1 0 495.668 4.093 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300292015 1068097586 /nfs/dbraw/zinc/09/75/86/1068097586.db2.gz WJFHNNNKIRCJNP-QZTJIDSGSA-N 1 0 474.447 4.295 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)s2)cc1 ZINC000510160456 1068154970 /nfs/dbraw/zinc/15/49/70/1068154970.db2.gz NTUUSRVFYWNTCQ-UHFFFAOYSA-N 1 0 493.662 4.036 20 30 JIEDRO C[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[N@@H+]1CCc2ccccc2C1 ZINC000510236747 1068162740 /nfs/dbraw/zinc/16/27/40/1068162740.db2.gz NVIXZYZXXJZTPX-INIZCTEOSA-N 1 0 464.620 4.270 20 30 JIEDRO CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC001473436303 1068167313 /nfs/dbraw/zinc/16/73/13/1068167313.db2.gz KHHIGBXMFRWBRM-QHCPKHFHSA-N 1 0 458.006 4.266 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001300316678 1068214074 /nfs/dbraw/zinc/21/40/74/1068214074.db2.gz BKMUJVMAAKCZIJ-PKTZIBPZSA-N 1 0 484.639 4.316 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300329056 1068263067 /nfs/dbraw/zinc/26/30/67/1068263067.db2.gz NUJRANXGBWXJEN-KCSJKLDESA-N 1 0 486.705 4.265 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001300349157 1068355212 /nfs/dbraw/zinc/35/52/12/1068355212.db2.gz WIPZLMLDYUHOME-SFHVURJKSA-N 1 0 462.425 4.214 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(SC)CC[NH+](C)CC1 ZINC001358872572 1068366711 /nfs/dbraw/zinc/36/67/11/1068366711.db2.gz WFDMDEFUCNZMGX-CTNGQTDRSA-N 1 0 455.672 4.320 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001358875129 1068369897 /nfs/dbraw/zinc/36/98/97/1068369897.db2.gz JLXHOXMEQOAHBG-SFHVURJKSA-N 1 0 495.469 4.341 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001358879432 1068378264 /nfs/dbraw/zinc/37/82/64/1068378264.db2.gz QZPKGBFTDCAZLC-KBMIEXCESA-N 1 0 465.623 4.012 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001358880291 1068379273 /nfs/dbraw/zinc/37/92/73/1068379273.db2.gz JDEWNAAOHCXIJM-FUHWJXTLSA-N 1 0 460.420 4.049 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001358889097 1068386390 /nfs/dbraw/zinc/38/63/90/1068386390.db2.gz WZEWADOVGZYTNZ-SFTDATJTSA-N 1 0 472.678 4.115 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001358889255 1068386958 /nfs/dbraw/zinc/38/69/58/1068386958.db2.gz ZOSGSBNOSPILOZ-BHDDXSALSA-N 1 0 496.656 4.281 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1CC[NH+](CCC)CC1 ZINC001358896738 1068390650 /nfs/dbraw/zinc/39/06/50/1068390650.db2.gz LCTOYUJRJUUSKF-GOSISDBHSA-N 1 0 474.447 4.200 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001358897888 1068392710 /nfs/dbraw/zinc/39/27/10/1068392710.db2.gz HZRXZUBAJXGSOH-FQEVSTJZSA-N 1 0 469.699 4.440 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358899899 1068397857 /nfs/dbraw/zinc/39/78/57/1068397857.db2.gz XFEUYUSKFNCDBG-WOJBJXKFSA-N 1 0 465.623 4.222 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001358903370 1068408138 /nfs/dbraw/zinc/40/81/38/1068408138.db2.gz UJHIOUFCDJHDJN-GOTSBHOMSA-N 1 0 490.696 4.435 20 30 JIEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001300371034 1068424825 /nfs/dbraw/zinc/42/48/25/1068424825.db2.gz LVCIDERGUUCEQB-AREMUKBSSA-N 1 0 492.712 4.230 20 30 JIEDRO C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001300372427 1068431256 /nfs/dbraw/zinc/43/12/56/1068431256.db2.gz GZOBQBYJUDSETO-UHFFFAOYSA-N 1 0 499.103 4.309 20 30 JIEDRO C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001358913982 1068438188 /nfs/dbraw/zinc/43/81/88/1068438188.db2.gz FJRYARDPYNQELK-DHIUTWEWSA-N 1 0 483.104 4.321 20 30 JIEDRO C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358939503 1068491210 /nfs/dbraw/zinc/49/12/10/1068491210.db2.gz XRGMTOHEUKNVRT-LJQANCHMSA-N 1 0 465.001 4.493 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001300391641 1068512236 /nfs/dbraw/zinc/51/22/36/1068512236.db2.gz CNHOGXIVMTWVSV-UHFFFAOYSA-N 1 0 455.050 4.007 20 30 JIEDRO C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001300394096 1068521065 /nfs/dbraw/zinc/52/10/65/1068521065.db2.gz LOIRFTDWOYULSE-NRFANRHFSA-N 1 0 451.615 4.078 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCC[N@H+]1CCCC[C@H]1C ZINC001358974863 1068524266 /nfs/dbraw/zinc/52/42/66/1068524266.db2.gz UMBIYBVSJYPBRE-LJQANCHMSA-N 1 0 454.416 4.045 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CC[NH+](C)CC1 ZINC001358982542 1068530139 /nfs/dbraw/zinc/53/01/39/1068530139.db2.gz APMMAPAMJOFSFJ-UHFFFAOYSA-N 1 0 492.476 4.064 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358986729 1068538308 /nfs/dbraw/zinc/53/83/08/1068538308.db2.gz FZADIBAMXNKNRO-GGAORHGYSA-N 1 0 454.622 4.385 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001358988078 1068544837 /nfs/dbraw/zinc/54/48/37/1068544837.db2.gz BOLGYYSBROPHNR-JOCHJYFZSA-N 1 0 480.454 4.496 20 30 JIEDRO 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C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001359194332 1068956171 /nfs/dbraw/zinc/95/61/71/1068956171.db2.gz TXYLJJINZSLENV-QHCPKHFHSA-N 1 0 466.674 4.334 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300548620 1068992340 /nfs/dbraw/zinc/99/23/40/1068992340.db2.gz MMVJZWXITUPARD-RTBURBONSA-N 1 0 474.436 4.357 20 30 JIEDRO C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001359210158 1068992364 /nfs/dbraw/zinc/99/23/64/1068992364.db2.gz LLOOZTSKQVJTPB-UHFFFAOYSA-N 1 0 462.436 4.221 20 30 JIEDRO C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359223933 1069015153 /nfs/dbraw/zinc/01/51/53/1069015153.db2.gz AIXWBARBPIEPAT-UHFFFAOYSA-N 1 0 492.027 4.170 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@H+](C)C(C)C ZINC001300557242 1069016226 /nfs/dbraw/zinc/01/62/26/1069016226.db2.gz RIORSMSHYBMSCU-NRFANRHFSA-N 1 0 456.034 4.491 20 30 JIEDRO C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359226190 1069020905 /nfs/dbraw/zinc/02/09/05/1069020905.db2.gz YRLBPUWBHKYMQJ-WOJBJXKFSA-N 1 0 450.587 4.112 20 30 JIEDRO C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359229278 1069027525 /nfs/dbraw/zinc/02/75/25/1069027525.db2.gz DQXNNYIIZIIIJP-VXKWHMMOSA-N 1 0 488.677 4.007 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359234396 1069032248 /nfs/dbraw/zinc/03/22/48/1069032248.db2.gz OBDCOUVPNOQLQE-IAGOWNOFSA-N 1 0 462.436 4.218 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300561833 1069034214 /nfs/dbraw/zinc/03/42/14/1069034214.db2.gz UHVZCVMFANQKLL-BGYRXZFFSA-N 1 0 485.474 4.257 20 30 JIEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359238822 1069039509 /nfs/dbraw/zinc/03/95/09/1069039509.db2.gz XEEVPXHOIXAOCC-OYRHEFFESA-N 1 0 477.657 4.055 20 30 JIEDRO C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359240707 1069042041 /nfs/dbraw/zinc/04/20/41/1069042041.db2.gz VYTVQSWCBCTAHO-UHFFFAOYSA-N 1 0 495.672 4.326 20 30 JIEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)c1 ZINC000849492158 1069059419 /nfs/dbraw/zinc/05/94/19/1069059419.db2.gz CFLSXMJKBZEBAV-SVBPBHIXSA-N 1 0 484.600 4.059 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300569457 1069071733 /nfs/dbraw/zinc/07/17/33/1069071733.db2.gz LTWJKNRHRBGXHO-QHCPKHFHSA-N 1 0 477.653 4.324 20 30 JIEDRO C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC001359246518 1069077897 /nfs/dbraw/zinc/07/78/97/1069077897.db2.gz DLECCXBCBMHNSA-OAQYLSRUSA-N 1 0 462.461 4.300 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300572026 1069082949 /nfs/dbraw/zinc/08/29/49/1069082949.db2.gz NHDWYAZAXHHACD-VWLOTQADSA-N 1 0 454.622 4.467 20 30 JIEDRO C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC001359247562 1069093129 /nfs/dbraw/zinc/09/31/29/1069093129.db2.gz HCLMXXJKAXKBJW-QFIPXVFZSA-N 1 0 469.630 4.246 20 30 JIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849516089 1069101775 /nfs/dbraw/zinc/10/17/75/1069101775.db2.gz GQPKDDGYADNKBN-LEWJYISDSA-N 1 0 477.422 4.350 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849519485 1069110927 /nfs/dbraw/zinc/11/09/27/1069110927.db2.gz JUADCXFSRPRXSN-BJKOFHAPSA-N 1 0 475.568 4.462 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001300580703 1069115869 /nfs/dbraw/zinc/11/58/69/1069115869.db2.gz FVTRAOUAZYYWIZ-BJKOFHAPSA-N 1 0 496.700 4.120 20 30 JIEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cn1 ZINC000849525918 1069121673 /nfs/dbraw/zinc/12/16/73/1069121673.db2.gz PORLLFXCPVPLMR-SJORKVTESA-N 1 0 451.518 4.119 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001300584541 1069128432 /nfs/dbraw/zinc/12/84/32/1069128432.db2.gz VDTRXUBSUVHNLE-XMMPIXPASA-N 1 0 459.569 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300591529 1069156998 /nfs/dbraw/zinc/15/69/98/1069156998.db2.gz SDOKZFMUNCLDOP-FIPFOOKPSA-N 1 0 456.638 4.255 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300603742 1069193364 /nfs/dbraw/zinc/19/33/64/1069193364.db2.gz YDYLIUFINODVCU-UHFFFAOYSA-N 1 0 474.447 4.057 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCc2sccc2C1 ZINC001300605075 1069197435 /nfs/dbraw/zinc/19/74/35/1069197435.db2.gz WRAFUQHSGZQSRL-UHFFFAOYSA-N 1 0 488.430 4.426 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001300613859 1069223868 /nfs/dbraw/zinc/22/38/68/1069223868.db2.gz SDQGRNCGKIMQED-FQEVSTJZSA-N 1 0 451.596 4.278 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359255743 1069236690 /nfs/dbraw/zinc/23/66/90/1069236690.db2.gz JDIHVFQNQHZYEJ-FGZHOGPDSA-N 1 0 472.641 4.111 20 30 JIEDRO COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300626680 1069261268 /nfs/dbraw/zinc/26/12/68/1069261268.db2.gz BULNSZVQOUMJSR-PCCBWWKXSA-N 1 0 468.646 4.218 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359258221 1069268281 /nfs/dbraw/zinc/26/82/81/1069268281.db2.gz KCKKJRKACHSFST-FUPPJEDESA-N 1 0 464.658 4.178 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)C(C)C ZINC001359264762 1069297490 /nfs/dbraw/zinc/29/74/90/1069297490.db2.gz OXQOHCSAVGAIEX-AMGIVPHBSA-N 1 0 483.657 4.319 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC001359264861 1069298387 /nfs/dbraw/zinc/29/83/87/1069298387.db2.gz ROOYZALOHHRRPP-MOPGFXCFSA-N 1 0 498.981 4.460 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001359265287 1069299936 /nfs/dbraw/zinc/29/99/36/1069299936.db2.gz CLWXJASICHLLQZ-QUCCMNQESA-N 1 0 455.569 4.259 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001300640439 1069305813 /nfs/dbraw/zinc/30/58/13/1069305813.db2.gz WPZIEXLQNUDNTM-UHFFFAOYSA-N 1 0 466.630 4.260 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001300641903 1069309838 /nfs/dbraw/zinc/30/98/38/1069309838.db2.gz FDUXMUSRVVPPKZ-NRFANRHFSA-N 1 0 499.432 4.309 20 30 JIEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC2)CC1 ZINC001164614684 719021651 /nfs/dbraw/zinc/02/16/51/719021651.db2.gz WRQBYDHUBWCMLD-UHFFFAOYSA-N 1 0 461.340 4.049 20 30 JIEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164626693 719086005 /nfs/dbraw/zinc/08/60/05/719086005.db2.gz PBZZEBJQMXVJAN-YLJYHZDGSA-N 1 0 474.939 4.429 20 30 JIEDRO Cc1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C#N ZINC001164679997 719658433 /nfs/dbraw/zinc/65/84/33/719658433.db2.gz BVKITJCXOWGAGD-LJQANCHMSA-N 1 0 466.029 4.009 20 30 JIEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691180 719810839 /nfs/dbraw/zinc/81/08/39/719810839.db2.gz AGKAWRWDYQFASE-UHFFFAOYSA-N 1 0 482.726 4.497 20 30 JIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2 ZINC001164813379 720203437 /nfs/dbraw/zinc/20/34/37/720203437.db2.gz OZTOXLMLGVAUBY-RDPSFJRHSA-N 1 0 487.982 4.398 20 30 JIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2 ZINC001164813918 720203842 /nfs/dbraw/zinc/20/38/42/720203842.db2.gz QUXHIZUJDVHQOS-GBXCKJPGSA-N 1 0 487.982 4.398 20 30 JIEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164834892 720513260 /nfs/dbraw/zinc/51/32/60/720513260.db2.gz HWKLBXWQFABYEW-DDRRAVBJSA-N 1 0 455.610 4.015 20 30 JIEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)C1 ZINC001164735279 720535765 /nfs/dbraw/zinc/53/57/65/720535765.db2.gz NUIBCWIKVXLDOV-KRWDZBQOSA-N 1 0 456.928 4.213 20 30 JIEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164835867 720563607 /nfs/dbraw/zinc/56/36/07/720563607.db2.gz ISOGZXGJSUTYOG-FUPPJEDESA-N 1 0 473.650 4.311 20 30 JIEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164835870 720566216 /nfs/dbraw/zinc/56/62/16/720566216.db2.gz ISOGZXGJSUTYOG-QZNHQXDQSA-N 1 0 473.650 4.311 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)CC[C@@H]21 ZINC001164838776 720611448 /nfs/dbraw/zinc/61/14/48/720611448.db2.gz LTPDQBQGVABRDN-KLJDGLGGSA-N 1 0 470.621 4.301 20 30 JIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755489 720876428 /nfs/dbraw/zinc/87/64/28/720876428.db2.gz XWUPQCMAZPMHLA-CUNXSJBXSA-N 1 0 489.023 4.305 20 30 JIEDRO N#CC1(c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2)CCC1 ZINC001164758475 720889905 /nfs/dbraw/zinc/88/99/05/720889905.db2.gz YKARLIRZMXZMJD-LBNVMWSVSA-N 1 0 457.622 4.177 20 30 JIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)[C@H]2C ZINC001164863998 721018952 /nfs/dbraw/zinc/01/89/52/721018952.db2.gz WQXTWRXOMMYECL-INIZCTEOSA-N 1 0 451.962 4.412 20 30 JIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897179 721512449 /nfs/dbraw/zinc/51/24/49/721512449.db2.gz FFIXMZOAIMPKGT-HIFRSBDPSA-N 1 0 457.283 4.286 20 30 JIEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909939 721565024 /nfs/dbraw/zinc/56/50/24/721565024.db2.gz VRWBIPCSRPVVAM-ICSRJNTNSA-N 1 0 465.916 4.275 20 30 JIEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905453 721706374 /nfs/dbraw/zinc/70/63/74/721706374.db2.gz GIIQRJNQAUJSNS-IBGZPJMESA-N 1 0 453.871 4.284 20 30 JIEDRO N#Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164913084 721736361 /nfs/dbraw/zinc/73/63/61/721736361.db2.gz SJEOTBUOWYFRCZ-HSZRJFAPSA-N 1 0 464.476 4.147 20 30 JIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C[C@H]21 ZINC001165018852 721817234 /nfs/dbraw/zinc/81/72/34/721817234.db2.gz ARMSGMLSTIXOCQ-XQZLXVFMSA-N 1 0 456.569 4.403 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300648486 1069326518 /nfs/dbraw/zinc/32/65/18/1069326518.db2.gz FDRASQIUWMLJFQ-GOTSBHOMSA-N 1 0 474.628 4.411 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300648857 1069327387 /nfs/dbraw/zinc/32/73/87/1069327387.db2.gz PTISLBWLYRJSBI-OYRHEFFESA-N 1 0 475.616 4.271 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300649363 1069328724 /nfs/dbraw/zinc/32/87/24/1069328724.db2.gz VFMVFKDJORVMMY-FUPPJEDESA-N 1 0 453.606 4.071 20 30 JIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359284874 1069329086 /nfs/dbraw/zinc/32/90/86/1069329086.db2.gz SBQXEEHPSFUUPW-HNAYVOBHSA-N 1 0 490.475 4.208 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300650872 1069333509 /nfs/dbraw/zinc/33/35/09/1069333509.db2.gz ZFIDIHVRZWHPOA-FGZHOGPDSA-N 1 0 467.633 4.289 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC[N@@H+](C)C(C)C)C1 ZINC001359314004 1069360092 /nfs/dbraw/zinc/36/00/92/1069360092.db2.gz UWTKPKJVSRHOAW-NRFANRHFSA-N 1 0 466.655 4.499 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001359316307 1069368151 /nfs/dbraw/zinc/36/81/51/1069368151.db2.gz MHLKQYLFYNONHF-FGZHOGPDSA-N 1 0 483.016 4.086 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001359316969 1069370567 /nfs/dbraw/zinc/37/05/67/1069370567.db2.gz ZRYWYTXXJCZLQZ-PKOBYXMFSA-N 1 0 492.437 4.360 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC1(SC)CC[NH+](C)CC1 ZINC001300663254 1069380855 /nfs/dbraw/zinc/38/08/55/1069380855.db2.gz ZBBYKKAZAUQJJG-GOSISDBHSA-N 1 0 474.700 4.145 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300665775 1069386032 /nfs/dbraw/zinc/38/60/32/1069386032.db2.gz QRAUODOYEWVXJN-FQEVSTJZSA-N 1 0 488.455 4.158 20 30 JIEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359328521 1069387183 /nfs/dbraw/zinc/38/71/83/1069387183.db2.gz GVIOXYIPCUVSEF-LADGPHEKSA-N 1 0 499.725 4.199 20 30 JIEDRO C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001359339113 1069400434 /nfs/dbraw/zinc/40/04/34/1069400434.db2.gz SZWPVBWTCAAKGA-HSZRJFAPSA-N 1 0 469.699 4.463 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[NH+]1CCSCC1 ZINC001359466678 1069602341 /nfs/dbraw/zinc/60/23/41/1069602341.db2.gz FSXXQDWQSCGAGN-HNNXBMFYSA-N 1 0 461.060 4.458 20 30 JIEDRO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC001359467225 1069604865 /nfs/dbraw/zinc/60/48/65/1069604865.db2.gz ONRIAQGTZWRDGG-RGODFAACSA-N 1 0 494.684 4.217 20 30 JIEDRO CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC001359467224 1069605543 /nfs/dbraw/zinc/60/55/43/1069605543.db2.gz ONRIAQGTZWRDGG-LOLUNWTRSA-N 1 0 494.684 4.217 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359468683 1069612361 /nfs/dbraw/zinc/61/23/61/1069612361.db2.gz PPHUOEVQRUEKOO-OAQYLSRUSA-N 1 0 465.690 4.112 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359474057 1069625592 /nfs/dbraw/zinc/62/55/92/1069625592.db2.gz MJCCCWXDIUWLPI-LJQANCHMSA-N 1 0 473.090 4.480 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1nccc(C(F)F)n1 ZINC001359537432 1069832504 /nfs/dbraw/zinc/83/25/04/1069832504.db2.gz YDUBMZCMYQUZOR-UHFFFAOYSA-N 1 0 494.594 4.227 20 30 JIEDRO CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001359666420 1070301914 /nfs/dbraw/zinc/30/19/14/1070301914.db2.gz UAQXLBNFNNZXII-HSZRJFAPSA-N 1 0 480.657 4.243 20 30 JIEDRO CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359700914 1070365512 /nfs/dbraw/zinc/36/55/12/1070365512.db2.gz CMYIVJCCFQXUEA-QHCPKHFHSA-N 1 0 450.631 4.441 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315654011 1064840233 /nfs/dbraw/zinc/84/02/33/1064840233.db2.gz CMJLEXOGQYEMJQ-HFZDXXHNSA-N 1 0 466.630 4.260 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315661736 1064862467 /nfs/dbraw/zinc/86/24/67/1064862467.db2.gz WNVDRDIWWLHPGR-UXHICEINSA-N 1 0 456.660 4.438 20 30 JIEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC[C@H]1C ZINC001315732953 1065031561 /nfs/dbraw/zinc/03/15/61/1065031561.db2.gz DQXPBGDWSVMOLD-XJYXKXMRSA-N 1 0 480.657 4.100 20 30 JIEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC001315737168 1065040848 /nfs/dbraw/zinc/04/08/48/1065040848.db2.gz RYPBABBROMIOAH-AWRGLXIESA-N 1 0 480.657 4.100 20 30 JIEDRO COCCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001315960862 1065514026 /nfs/dbraw/zinc/51/40/26/1065514026.db2.gz IOIPMXITDJOIKQ-UHFFFAOYSA-N 1 0 450.631 4.192 20 30 JIEDRO COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316096928 1065761596 /nfs/dbraw/zinc/76/15/96/1065761596.db2.gz TWRMNVLGMAGHPM-OYRHEFFESA-N 1 0 464.658 4.436 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316100462 1065767311 /nfs/dbraw/zinc/76/73/11/1065767311.db2.gz XDSUNDMMIUVVTL-FQEVSTJZSA-N 1 0 489.462 4.194 20 30 JIEDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C[C@H]1C ZINC001316127085 1065800061 /nfs/dbraw/zinc/80/00/61/1065800061.db2.gz SHDBFKWREGECNT-LJQANCHMSA-N 1 0 464.639 4.013 20 30 JIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1C#N ZINC001325235299 1066241233 /nfs/dbraw/zinc/24/12/33/1066241233.db2.gz HJWONANKFAIPDG-UHFFFAOYSA-N 1 0 473.621 4.463 20 30 JIEDRO Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cc4Cl)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492518137 1066375235 /nfs/dbraw/zinc/37/52/35/1066375235.db2.gz TWBDFEXLDUFUMW-UHFFFAOYSA-N 1 0 493.059 4.088 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001317903669 1066772832 /nfs/dbraw/zinc/77/28/32/1066772832.db2.gz OPOSUIAXFFZSHG-UHFFFAOYSA-N 1 0 459.569 4.491 20 30 JIEDRO CCOc1cc(C#N)cc(Br)c1OC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001349220425 1066821913 /nfs/dbraw/zinc/82/19/13/1066821913.db2.gz ZVDFRDUGMKFPTN-JXMROGBWSA-N 1 0 459.340 4.279 20 30 JIEDRO C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)ccc1Cl ZINC001318084163 1066891988 /nfs/dbraw/zinc/89/19/88/1066891988.db2.gz IEFGJTSQLRSHBZ-GOSISDBHSA-N 1 0 494.032 4.322 20 30 JIEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)CC1 ZINC001318226267 1066971274 /nfs/dbraw/zinc/97/12/74/1066971274.db2.gz MVNUCFZABQGNSF-HHHXNRCGSA-N 1 0 453.590 4.411 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001300683733 1067021474 /nfs/dbraw/zinc/02/14/74/1067021474.db2.gz RZSZEUTUZRVCAR-QFIPXVFZSA-N 1 0 487.092 4.174 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300691455 1067040720 /nfs/dbraw/zinc/04/07/20/1067040720.db2.gz ZLJXYTSLAKTNIM-RUZDIDTESA-N 1 0 492.712 4.246 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC001351224859 1067061226 /nfs/dbraw/zinc/06/12/26/1067061226.db2.gz VNUALGNALASRBY-VMSKGAARSA-N 1 0 453.656 4.144 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300732352 1067170629 /nfs/dbraw/zinc/17/06/29/1067170629.db2.gz AUNCYTOSSZCMTJ-NRFANRHFSA-N 1 0 455.672 4.322 20 30 JIEDRO C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001300740811 1067223244 /nfs/dbraw/zinc/22/32/44/1067223244.db2.gz DYKOKRCGCBSMOX-ZJSXRUAMSA-N 1 0 451.684 4.497 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001300781740 1067337431 /nfs/dbraw/zinc/33/74/31/1067337431.db2.gz CIZDQRMCGIXDAY-UHFFFAOYSA-N 1 0 450.631 4.333 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001300781953 1067337846 /nfs/dbraw/zinc/33/78/46/1067337846.db2.gz DZGXAJSNFLZYHA-MHZLTWQESA-N 1 0 480.657 4.102 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(CC(C)(C)C)nnc3N3CCC(C)(C#N)CC3)CCCC2)CC1 ZINC001300785560 1067346826 /nfs/dbraw/zinc/34/68/26/1067346826.db2.gz GQFXLJLQWKUHQI-UHFFFAOYSA-N 1 0 456.679 4.420 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001300787371 1067351038 /nfs/dbraw/zinc/35/10/38/1067351038.db2.gz UBMLIACNQDCVEA-FQEVSTJZSA-N 1 0 470.687 4.364 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(C)CC1 ZINC001300788658 1067355655 /nfs/dbraw/zinc/35/56/55/1067355655.db2.gz HOPCBVXTQFGHAH-JOCHJYFZSA-N 1 0 459.436 4.150 20 30 JIEDRO COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300041370 1067469831 /nfs/dbraw/zinc/46/98/31/1067469831.db2.gz QMCJGQHRVMFGQC-UNVFRBQDSA-N 1 0 484.620 4.162 20 30 JIEDRO Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001492556785 1067489288 /nfs/dbraw/zinc/48/92/88/1067489288.db2.gz SHQKHITXGHFSNV-JOCHJYFZSA-N 1 0 450.631 4.275 20 30 JIEDRO CC(C)CC(=O)N1CCN(C(=O)CCCCC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000849074252 1067797130 /nfs/dbraw/zinc/79/71/30/1067797130.db2.gz LKOOOWKCQFCLRW-UHFFFAOYSA-N 1 0 469.674 4.218 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001357128384 1067807301 /nfs/dbraw/zinc/80/73/01/1067807301.db2.gz GCRQPARTCQLQHM-UHFFFAOYSA-N 1 0 459.447 4.106 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300272261 1068053388 /nfs/dbraw/zinc/05/33/88/1068053388.db2.gz AOKHMPMGLFCTMP-IPJJNNNSSA-N 1 0 451.546 4.445 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300291490 1068097285 /nfs/dbraw/zinc/09/72/85/1068097285.db2.gz SSRSUQJLXWRJMH-FQEVSTJZSA-N 1 0 453.631 4.178 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCCC[NH+]1CCCCC1 ZINC001300305272 1068160184 /nfs/dbraw/zinc/16/01/84/1068160184.db2.gz TXCHBPPLZVHBHO-JOCHJYFZSA-N 1 0 489.668 4.350 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000510247573 1068167615 /nfs/dbraw/zinc/16/76/15/1068167615.db2.gz YQKQJWVZCFRDOF-IBGZPJMESA-N 1 0 450.593 4.098 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](C)[NH+](C)C)c1 ZINC001300330508 1068271456 /nfs/dbraw/zinc/27/14/56/1068271456.db2.gz BODRZRRIVXGJTG-RTBURBONSA-N 1 0 490.677 4.138 20 30 JIEDRO C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001300341563 1068329035 /nfs/dbraw/zinc/32/90/35/1068329035.db2.gz IJFHJQQZQOBBFQ-UHFFFAOYSA-N 1 0 473.463 4.304 20 30 JIEDRO C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001300342198 1068330924 /nfs/dbraw/zinc/33/09/24/1068330924.db2.gz QTFKGIZIHWSXSV-YADHBBJMSA-N 1 0 451.615 4.295 20 30 JIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccco1 ZINC000521468168 1068333893 /nfs/dbraw/zinc/33/38/93/1068333893.db2.gz UPCZQISVFQIQOR-QGZVFWFLSA-N 1 0 456.597 4.500 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](CC(C)C)[NH+](C)C ZINC001358876540 1068373589 /nfs/dbraw/zinc/37/35/89/1068373589.db2.gz LOTVJRCHOFCPFT-RDJZCZTQSA-N 1 0 450.400 4.281 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC[NH+]1CCCCCC1 ZINC001358876746 1068374094 /nfs/dbraw/zinc/37/40/94/1068374094.db2.gz PMUYLMJVNPJXLR-KRWDZBQOSA-N 1 0 460.420 4.050 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358876993 1068374899 /nfs/dbraw/zinc/37/48/99/1068374899.db2.gz UZYZLYGUXPMSMT-SFHVURJKSA-N 1 0 475.609 4.366 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358878462 1068377135 /nfs/dbraw/zinc/37/71/35/1068377135.db2.gz XBIMSPMZIPMHPA-AEFFLSMTSA-N 1 0 494.503 4.364 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358879201 1068377464 /nfs/dbraw/zinc/37/74/64/1068377464.db2.gz MOHYEJHRWQHZTG-VGSWGCGISA-N 1 0 462.013 4.333 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCCC1 ZINC001358898331 1068393556 /nfs/dbraw/zinc/39/35/56/1068393556.db2.gz QJJGQTZLDLPXAU-QGZVFWFLSA-N 1 0 450.414 4.498 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001358903426 1068408043 /nfs/dbraw/zinc/40/80/43/1068408043.db2.gz WNEIPJSLBQXNMK-UHFFFAOYSA-N 1 0 478.685 4.435 20 30 JIEDRO C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001358903899 1068409139 /nfs/dbraw/zinc/40/91/39/1068409139.db2.gz MWFNNTBJDRSWII-UHFFFAOYSA-N 1 0 483.060 4.120 20 30 JIEDRO C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001358908476 1068426514 /nfs/dbraw/zinc/42/65/14/1068426514.db2.gz YLCIWFGGXYUXDQ-JOCHJYFZSA-N 1 0 451.615 4.219 20 30 JIEDRO C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001358924408 1068468868 /nfs/dbraw/zinc/46/88/68/1068468868.db2.gz VUNJVHMEXJPZMN-UHFFFAOYSA-N 1 0 474.447 4.440 20 30 JIEDRO C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300385177 1068481351 /nfs/dbraw/zinc/48/13/51/1068481351.db2.gz ZZJXMPDLYVABCJ-RMTZWNOUSA-N 1 0 492.712 4.443 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300386633 1068489487 /nfs/dbraw/zinc/48/94/87/1068489487.db2.gz RUUGZZAANXEXAG-FQEVSTJZSA-N 1 0 481.442 4.407 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001358941897 1068493567 /nfs/dbraw/zinc/49/35/67/1068493567.db2.gz BFQRSWKMDQUPOK-UHFFFAOYSA-N 1 0 464.355 4.113 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001358942587 1068495496 /nfs/dbraw/zinc/49/54/96/1068495496.db2.gz ASCUJICEHDRLGF-NRFANRHFSA-N 1 0 467.614 4.119 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001358969042 1068508854 /nfs/dbraw/zinc/50/88/54/1068508854.db2.gz FUNRJTARRPCHOM-QPPBQGQZSA-N 1 0 463.626 4.010 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C[NH+]1CCCC1 ZINC001358971789 1068514907 /nfs/dbraw/zinc/51/49/07/1068514907.db2.gz IZEPJQVGLWCZHE-UHFFFAOYSA-N 1 0 472.406 4.042 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001358972537 1068518085 /nfs/dbraw/zinc/51/80/85/1068518085.db2.gz IRAXCLWHQWCEHM-SFHVURJKSA-N 1 0 474.472 4.354 20 30 JIEDRO 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C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358990905 1068554660 /nfs/dbraw/zinc/55/46/60/1068554660.db2.gz GWIDAQGEACAZPN-QDPGVEIFSA-N 1 0 469.637 4.104 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359015400 1068593969 /nfs/dbraw/zinc/59/39/69/1068593969.db2.gz RZDPUZURSKQSNQ-ZRZAMGCNSA-N 1 0 494.659 4.051 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001359015289 1068594373 /nfs/dbraw/zinc/59/43/73/1068594373.db2.gz OVYNZQDLESHZGE-UHFFFAOYSA-N 1 0 494.659 4.051 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359017727 1068604951 /nfs/dbraw/zinc/60/49/51/1068604951.db2.gz PLAMBEBJRCCVDZ-RUZDIDTESA-N 1 0 455.647 4.227 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359020388 1068616124 /nfs/dbraw/zinc/61/61/24/1068616124.db2.gz ASFWDCBEJFSWQZ-HXUWFJFHSA-N 1 0 488.474 4.367 20 30 JIEDRO 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C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[NH+](C(C)C)C(C)C ZINC001359063178 1068703181 /nfs/dbraw/zinc/70/31/81/1068703181.db2.gz JLSVGXBJVFRFON-AREMUKBSSA-N 1 0 450.631 4.258 20 30 JIEDRO C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300438312 1068705059 /nfs/dbraw/zinc/70/50/59/1068705059.db2.gz KTUVAVFATQYGKT-KRWDZBQOSA-N 1 0 458.031 4.120 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359064250 1068705729 /nfs/dbraw/zinc/70/57/29/1068705729.db2.gz ORTDVOSHGMEAQA-DMJCMNNJSA-N 1 0 451.546 4.445 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001359065275 1068708459 /nfs/dbraw/zinc/70/84/59/1068708459.db2.gz MLHGNHLGNICHRN-YRLRHBCXSA-N 1 0 462.686 4.086 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359065942 1068710853 /nfs/dbraw/zinc/71/08/53/1068710853.db2.gz IJBAXCNDYJHUBO-JYFHCDHNSA-N 1 0 451.615 4.075 20 30 JIEDRO 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C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359085088 1068763491 /nfs/dbraw/zinc/76/34/91/1068763491.db2.gz ARXKPXAOAZXSDM-UHFFFAOYSA-N 1 0 462.411 4.371 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001359085825 1068765994 /nfs/dbraw/zinc/76/59/94/1068765994.db2.gz AGWOMTNIGZOWHN-NRFANRHFSA-N 1 0 473.463 4.121 20 30 JIEDRO C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359086161 1068767194 /nfs/dbraw/zinc/76/71/94/1068767194.db2.gz MFUZMEYYQOYMTH-SFHVURJKSA-N 1 0 488.474 4.291 20 30 JIEDRO CCCCCCCCCCCCNC(=S)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1 ZINC001200504118 1068767985 /nfs/dbraw/zinc/76/79/85/1068767985.db2.gz ZSBCAPUDJXFEEH-DEOSSOPVSA-N 1 0 476.779 4.358 20 30 JIEDRO C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359087291 1068769667 /nfs/dbraw/zinc/76/96/67/1068769667.db2.gz ZYECEEKFGBZRIQ-NRFANRHFSA-N 1 0 458.448 4.284 20 30 JIEDRO C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 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C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001359316967 1069370746 /nfs/dbraw/zinc/37/07/46/1069370746.db2.gz ZRYWYTXXJCZLQZ-IEBWSBKVSA-N 1 0 492.437 4.360 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359322857 1069374572 /nfs/dbraw/zinc/37/45/72/1069374572.db2.gz DFZIWNBGRULDNM-WOJBJXKFSA-N 1 0 459.585 4.049 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359323909 1069377365 /nfs/dbraw/zinc/37/73/65/1069377365.db2.gz ZFGZVLSJWXMWDF-FPOVZHCZSA-N 1 0 455.603 4.154 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300665776 1069386476 /nfs/dbraw/zinc/38/64/76/1069386476.db2.gz QRAUODOYEWVXJN-HXUWFJFHSA-N 1 0 488.455 4.158 20 30 JIEDRO C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359345360 1069414130 /nfs/dbraw/zinc/41/41/30/1069414130.db2.gz DELZTQFTKQRLCO-JOCHJYFZSA-N 1 0 485.698 4.083 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359468498 1069609749 /nfs/dbraw/zinc/60/97/49/1069609749.db2.gz MHHXQRFLHYDLOC-LEWJYISDSA-N 1 0 452.647 4.339 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359468745 1069612044 /nfs/dbraw/zinc/61/20/44/1069612044.db2.gz QUIVFTWSBRFYFV-CQSZACIVSA-N 1 0 463.449 4.239 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359469104 1069613404 /nfs/dbraw/zinc/61/34/04/1069613404.db2.gz YLDYBUQFAJOIFL-VLIAUNLRSA-N 1 0 497.894 4.394 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359469881 1069617487 /nfs/dbraw/zinc/61/74/87/1069617487.db2.gz MKDOGGISRGTJBK-ZWKOTPCHSA-N 1 0 459.436 4.425 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359469880 1069617740 /nfs/dbraw/zinc/61/77/40/1069617740.db2.gz MKDOGGISRGTJBK-ROUUACIJSA-N 1 0 459.436 4.425 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001359477698 1069639276 /nfs/dbraw/zinc/63/92/76/1069639276.db2.gz DCCUMZDSTDQIMW-MSNJVRRCSA-N 1 0 464.658 4.457 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1)[NH+]1CCCC1 ZINC001359657468 1070245331 /nfs/dbraw/zinc/24/53/31/1070245331.db2.gz IKJVXPMEXOZVLJ-FQEVSTJZSA-N 1 0 474.451 4.286 20 30 JIEDRO CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359701498 1070367786 /nfs/dbraw/zinc/36/77/86/1070367786.db2.gz VQDALGUOQAJTRO-QFIPXVFZSA-N 1 0 450.631 4.441 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315621342 1064756248 /nfs/dbraw/zinc/75/62/48/1064756248.db2.gz DHMJPZRGRPETNL-SFTDATJTSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315622159 1064758144 /nfs/dbraw/zinc/75/81/44/1064758144.db2.gz MHNIHAZGNAWJBX-UNVFRBQDSA-N 1 0 468.621 4.076 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001315654012 1064840181 /nfs/dbraw/zinc/84/01/81/1064840181.db2.gz CMJLEXOGQYEMJQ-LVXARBLLSA-N 1 0 466.630 4.260 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315654058 1064840392 /nfs/dbraw/zinc/84/03/92/1064840392.db2.gz DXCTUGJNQQTSTN-RLWLMLJZSA-N 1 0 466.630 4.118 20 30 JIEDRO CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315689365 1064943548 /nfs/dbraw/zinc/94/35/48/1064943548.db2.gz FEJZLQRVPTVJPJ-ISKFKSNPSA-N 1 0 480.657 4.102 20 30 JIEDRO CO[C@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001315691974 1064949219 /nfs/dbraw/zinc/94/92/19/1064949219.db2.gz RUSHFDDLZXQWMH-RPWUZVMVSA-N 1 0 464.658 4.266 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001315703669 1064968825 /nfs/dbraw/zinc/96/88/25/1064968825.db2.gz DOZGMDAKYAWMTJ-OAQYLSRUSA-N 1 0 480.657 4.245 20 30 JIEDRO COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315791659 1065133230 /nfs/dbraw/zinc/13/32/30/1065133230.db2.gz DHAOBOFYBWLTGM-GPXNEJASSA-N 1 0 480.657 4.102 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315885780 1065333535 /nfs/dbraw/zinc/33/35/35/1065333535.db2.gz PDMCGUTVDKPBNE-JOCHJYFZSA-N 1 0 450.631 4.334 20 30 JIEDRO COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315909596 1065401087 /nfs/dbraw/zinc/40/10/87/1065401087.db2.gz ATOKKUQRHLHTCR-OAQYLSRUSA-N 1 0 450.631 4.334 20 30 JIEDRO COCC[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001316066062 1065704642 /nfs/dbraw/zinc/70/46/42/1065704642.db2.gz UCBCTQGTLLRSOE-OAQYLSRUSA-N 1 0 450.612 4.188 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCc2sccc2C1 ZINC001316086731 1065739279 /nfs/dbraw/zinc/73/92/79/1065739279.db2.gz RMAWCZZFIMUFPE-UHFFFAOYSA-N 1 0 478.666 4.220 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001316100463 1065767134 /nfs/dbraw/zinc/76/71/34/1065767134.db2.gz XDSUNDMMIUVVTL-HXUWFJFHSA-N 1 0 489.462 4.194 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316275108 1066026364 /nfs/dbraw/zinc/02/63/64/1066026364.db2.gz WVSMFJCJVZLODM-VZVHPENPSA-N 1 0 480.657 4.043 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001316281623 1066036110 /nfs/dbraw/zinc/03/61/10/1066036110.db2.gz JFYBEZDAXJMFNT-NHTMILBNSA-N 1 0 480.657 4.043 20 30 JIEDRO CS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316430086 1066263370 /nfs/dbraw/zinc/26/33/70/1066263370.db2.gz JQVBQFPQZIKQJQ-QFIPXVFZSA-N 1 0 468.671 4.325 20 30 JIEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316495305 1066438539 /nfs/dbraw/zinc/43/85/39/1066438539.db2.gz FPSCRCUJULDRKN-NRFANRHFSA-N 1 0 493.656 4.138 20 30 JIEDRO Fc1ccc(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[NH+]2CCCC2)cc1 ZINC001316522897 1066531285 /nfs/dbraw/zinc/53/12/85/1066531285.db2.gz JGHIEPWPJLZAKJ-UHFFFAOYSA-N 1 0 479.444 4.425 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2CCCCCO)c1 ZINC001316531093 1066550838 /nfs/dbraw/zinc/55/08/38/1066550838.db2.gz ZRALJVVWGRZBFJ-HSZRJFAPSA-N 1 0 450.631 4.072 20 30 JIEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC001317731931 1066653385 /nfs/dbraw/zinc/65/33/85/1066653385.db2.gz BQQFYFHZURXIJQ-LJQANCHMSA-N 1 0 450.608 4.283 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[C@@H](OCC)C(C)C)CC1 ZINC001300688487 1067032762 /nfs/dbraw/zinc/03/27/62/1067032762.db2.gz GNGUAWURIBVDAT-IFMALSPDSA-N 1 0 469.699 4.338 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300690406 1067037626 /nfs/dbraw/zinc/03/76/26/1067037626.db2.gz KQZDILCYLIIYEC-JOCHJYFZSA-N 1 0 467.017 4.030 20 30 JIEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)c2)CC1 ZINC001318434635 1067042541 /nfs/dbraw/zinc/04/25/41/1067042541.db2.gz ZHPVQUDLQIEXAX-UHFFFAOYSA-N 1 0 456.615 4.387 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC001351224857 1067061107 /nfs/dbraw/zinc/06/11/07/1067061107.db2.gz VNUALGNALASRBY-NEWRJPHWSA-N 1 0 453.656 4.144 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001300707347 1067075450 /nfs/dbraw/zinc/07/54/50/1067075450.db2.gz FFLQYYNVENZBAA-SANMLTNESA-N 1 0 472.637 4.064 20 30 JIEDRO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001300743599 1067239581 /nfs/dbraw/zinc/23/95/81/1067239581.db2.gz VTRBEOTUAZJHHY-SFHVURJKSA-N 1 0 499.482 4.113 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001300746470 1067257238 /nfs/dbraw/zinc/25/72/38/1067257238.db2.gz SQRJVFMSWWGIQX-KRWDZBQOSA-N 1 0 450.027 4.272 20 30 JIEDRO CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300758294 1067291305 /nfs/dbraw/zinc/29/13/05/1067291305.db2.gz RLEHWQLQTCLKML-XMMPIXPASA-N 1 0 450.631 4.190 20 30 JIEDRO C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001300767107 1067310849 /nfs/dbraw/zinc/31/08/49/1067310849.db2.gz RCJJKMXHLJCSRU-PZJWPPBQSA-N 1 0 472.728 4.091 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001300786868 1067350220 /nfs/dbraw/zinc/35/02/20/1067350220.db2.gz QVXLSXSBKHSREJ-UHFFFAOYSA-N 1 0 478.685 4.473 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001300787382 1067351111 /nfs/dbraw/zinc/35/11/11/1067351111.db2.gz UBMLIACNQDCVEA-HXUWFJFHSA-N 1 0 470.687 4.364 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001300788163 1067353403 /nfs/dbraw/zinc/35/34/03/1067353403.db2.gz SMWWJUAPKKJVGE-DFCKQENNSA-N 1 0 485.698 4.455 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300788789 1067355872 /nfs/dbraw/zinc/35/58/72/1067355872.db2.gz MDOYFOHPUKXDHN-KDYSTLNUSA-N 1 0 465.642 4.322 20 30 JIEDRO COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(C#N)o2)cc1Br ZINC001300066483 1067580529 /nfs/dbraw/zinc/58/05/29/1067580529.db2.gz CWQOZKGAVSMBDR-UHFFFAOYSA-N 1 0 499.413 4.150 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300114609 1067722203 /nfs/dbraw/zinc/72/22/03/1067722203.db2.gz UUYQGGOTIZJWSK-RUZDIDTESA-N 1 0 464.658 4.322 20 30 JIEDRO CCC[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001357607774 1067876856 /nfs/dbraw/zinc/87/68/56/1067876856.db2.gz IGGWTEIKVBBBOW-IBGZPJMESA-N 1 0 456.384 4.213 20 30 JIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001358073283 1068011093 /nfs/dbraw/zinc/01/10/93/1068011093.db2.gz YHRMLSMFTDAJEI-OAQYLSRUSA-N 1 0 454.530 4.300 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300283317 1068077814 /nfs/dbraw/zinc/07/78/14/1068077814.db2.gz MWUXEKUJPLEJIR-SANMLTNESA-N 1 0 466.630 4.118 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001300291122 1068096361 /nfs/dbraw/zinc/09/63/61/1068096361.db2.gz CBOOOTUUOUFEEM-RDPSFJRHSA-N 1 0 460.626 4.088 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300302471 1068145011 /nfs/dbraw/zinc/14/50/11/1068145011.db2.gz BGWVTRGUXSFFNH-IRFCIJBXSA-N 1 0 486.686 4.215 20 30 JIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000510238844 1068162820 /nfs/dbraw/zinc/16/28/20/1068162820.db2.gz IBLYKUAWXCZXSK-UHFFFAOYSA-N 1 0 452.609 4.298 20 30 JIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1C#N ZINC000516553704 1068277501 /nfs/dbraw/zinc/27/75/01/1068277501.db2.gz UIJVINNLTJFDHK-UHFFFAOYSA-N 1 0 462.583 4.048 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCC2CC[NH+](CC)CC2)c1 ZINC001300332141 1068279938 /nfs/dbraw/zinc/27/99/38/1068279938.db2.gz YFIXSDPZTXWZDQ-UHFFFAOYSA-N 1 0 474.609 4.025 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001300349261 1068355271 /nfs/dbraw/zinc/35/52/71/1068355271.db2.gz SGTYGGLWSHSIHQ-QGZVFWFLSA-N 1 0 492.487 4.262 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CC[NH+](CC)CC1 ZINC001358872040 1068366064 /nfs/dbraw/zinc/36/60/64/1068366064.db2.gz NTBIXZHRGLTBQN-FCHUYYIVSA-N 1 0 487.092 4.174 20 30 JIEDRO C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001300354043 1068370991 /nfs/dbraw/zinc/37/09/91/1068370991.db2.gz VHPUFNGQNGFQNB-VXKWHMMOSA-N 1 0 469.077 4.397 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358875639 1068371630 /nfs/dbraw/zinc/37/16/30/1068371630.db2.gz TYCZOSKJQLPZEE-YLJYHZDGSA-N 1 0 473.463 4.301 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001358879356 1068377808 /nfs/dbraw/zinc/37/78/08/1068377808.db2.gz PPVBFACZYVLZDH-FKBYEOEOSA-N 1 0 491.636 4.463 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCCC[NH+]1CCC(C)CC1 ZINC001358885668 1068383549 /nfs/dbraw/zinc/38/35/49/1068383549.db2.gz OEMKTZZLUKUGRB-JOCHJYFZSA-N 1 0 489.668 4.035 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001358885594 1068383641 /nfs/dbraw/zinc/38/36/41/1068383641.db2.gz MVHIPZQVZMNKHW-PGRDOPGGSA-N 1 0 489.649 4.058 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001358890491 1068387739 /nfs/dbraw/zinc/38/77/39/1068387739.db2.gz QDUXRLXEZBKNDT-REWPJTCUSA-N 1 0 492.697 4.055 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1CC[NH+](CCC)CC1 ZINC001358896739 1068390417 /nfs/dbraw/zinc/39/04/17/1068390417.db2.gz LCTOYUJRJUUSKF-SFHVURJKSA-N 1 0 474.447 4.200 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001358898797 1068394167 /nfs/dbraw/zinc/39/41/67/1068394167.db2.gz AIHQFMCEDMXYQT-VSKRKVRLSA-N 1 0 472.678 4.463 20 30 JIEDRO C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300363774 1068396325 /nfs/dbraw/zinc/39/63/25/1068396325.db2.gz GFJBJJVNXPIFGR-QHCPKHFHSA-N 1 0 451.615 4.152 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358899817 1068397187 /nfs/dbraw/zinc/39/71/87/1068397187.db2.gz VLPHLZACUYXLLO-PUHATCMVSA-N 1 0 480.657 4.419 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358899799 1068397302 /nfs/dbraw/zinc/39/73/02/1068397302.db2.gz VIFLKXKTSMBEGN-HXUWFJFHSA-N 1 0 485.723 4.399 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358899816 1068397326 /nfs/dbraw/zinc/39/73/26/1068397326.db2.gz VLPHLZACUYXLLO-PMVMPFDFSA-N 1 0 480.657 4.419 20 30 JIEDRO C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001358904872 1068410913 /nfs/dbraw/zinc/41/09/13/1068410913.db2.gz NJKXQXNJJCFFSS-JWQCQUIFSA-N 1 0 478.685 4.055 20 30 JIEDRO C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001358920981 1068457491 /nfs/dbraw/zinc/45/74/91/1068457491.db2.gz MCUJPANNRHVBAM-AREMUKBSSA-N 1 0 462.686 4.228 20 30 JIEDRO C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001358924055 1068467722 /nfs/dbraw/zinc/46/77/22/1068467722.db2.gz KLMUNAVHQIXRDF-UHFFFAOYSA-N 1 0 474.447 4.440 20 30 JIEDRO C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001358924868 1068470583 /nfs/dbraw/zinc/47/05/83/1068470583.db2.gz MBAFIBHDKZOIDC-UHFFFAOYSA-N 1 0 465.642 4.084 20 30 JIEDRO C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001358934495 1068482233 /nfs/dbraw/zinc/48/22/33/1068482233.db2.gz CVFRHPFXEYTDAF-UHFFFAOYSA-N 1 0 450.414 4.498 20 30 JIEDRO C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001358934630 1068483234 /nfs/dbraw/zinc/48/32/34/1068483234.db2.gz HUTPAWHVEFNDGT-UHFFFAOYSA-N 1 0 465.642 4.372 20 30 JIEDRO C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001300385983 1068486373 /nfs/dbraw/zinc/48/63/73/1068486373.db2.gz JPSDRZMEMQNBAV-UHFFFAOYSA-N 1 0 486.458 4.202 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358943702 1068497269 /nfs/dbraw/zinc/49/72/69/1068497269.db2.gz RWNPOGNWBKRNTQ-UHFFFAOYSA-N 1 0 483.389 4.268 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358953028 1068502449 /nfs/dbraw/zinc/50/24/49/1068502449.db2.gz IFXUWZTWRLUMMN-HXUWFJFHSA-N 1 0 474.447 4.344 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001358953499 1068503101 /nfs/dbraw/zinc/50/31/01/1068503101.db2.gz ZKNJGBYSORMUFT-OAQYLSRUSA-N 1 0 453.974 4.400 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 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/nfs/dbraw/zinc/55/68/08/1068556808.db2.gz OTPVMAYHSHPLGT-FUDKSRODSA-N 1 0 451.640 4.127 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358997398 1068562064 /nfs/dbraw/zinc/56/20/64/1068562064.db2.gz QZECRWWQJJLGFC-RUZDIDTESA-N 1 0 459.638 4.426 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001358997947 1068564571 /nfs/dbraw/zinc/56/45/71/1068564571.db2.gz KZVLZXAONOSZBR-UHFFFAOYSA-N 1 0 489.664 4.052 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001358997921 1068565110 /nfs/dbraw/zinc/56/51/10/1068565110.db2.gz JTOSBUHHDZPZSZ-VWLOTQADSA-N 1 0 471.605 4.449 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001359001739 1068571805 /nfs/dbraw/zinc/57/18/05/1068571805.db2.gz BRQPFDZRBIOEHM-QFIPXVFZSA-N 1 0 481.442 4.406 20 30 JIEDRO C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359001870 1068572117 /nfs/dbraw/zinc/57/21/17/1068572117.db2.gz GLKZXUUJIGIRRZ-FQEVSTJZSA-N 1 0 478.666 4.337 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359003123 1068576285 /nfs/dbraw/zinc/57/62/85/1068576285.db2.gz ZDHFFRYUJHYCTO-UHFFFAOYSA-N 1 0 473.568 4.041 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359014544 1068591755 /nfs/dbraw/zinc/59/17/55/1068591755.db2.gz MQGPYJFKLXXGPR-RBUKOAKNSA-N 1 0 472.659 4.174 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001359015896 1068596689 /nfs/dbraw/zinc/59/66/89/1068596689.db2.gz IRAXRUWGZFKLOY-SFHVURJKSA-N 1 0 485.405 4.156 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359017230 1068601539 /nfs/dbraw/zinc/60/15/39/1068601539.db2.gz XULAWECXZXJNQY-ZCYQVOJMSA-N 1 0 467.633 4.462 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359017736 1068605109 /nfs/dbraw/zinc/60/51/09/1068605109.db2.gz PTWHVOYKXACZQW-QHCPKHFHSA-N 1 0 460.601 4.163 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359020387 1068616746 /nfs/dbraw/zinc/61/67/46/1068616746.db2.gz ASFWDCBEJFSWQZ-FQEVSTJZSA-N 1 0 488.474 4.367 20 30 JIEDRO C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001300419689 1068626501 /nfs/dbraw/zinc/62/65/01/1068626501.db2.gz QPERTQAXCJZFQF-IFMALSPDSA-N 1 0 456.034 4.338 20 30 JIEDRO C#CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)c1cccs1 ZINC001300420000 1068628979 /nfs/dbraw/zinc/62/89/79/1068628979.db2.gz YDPBGPXISAFHCJ-JOCHJYFZSA-N 1 0 462.667 4.315 20 30 JIEDRO C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001300421886 1068641831 /nfs/dbraw/zinc/64/18/31/1068641831.db2.gz AWCRHLHNBJQMPJ-QFIPXVFZSA-N 1 0 479.669 4.258 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359032860 1068647071 /nfs/dbraw/zinc/64/70/71/1068647071.db2.gz GMCAHDWQYJPTBE-NRFANRHFSA-N 1 0 499.501 4.117 20 30 JIEDRO C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359051952 1068679554 /nfs/dbraw/zinc/67/95/54/1068679554.db2.gz PFFPQFVLDZOAHM-HSZRJFAPSA-N 1 0 462.667 4.276 20 30 JIEDRO C#CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001359060331 1068697196 /nfs/dbraw/zinc/69/71/96/1068697196.db2.gz RUAJODYWVXEMTP-UHFFFAOYSA-N 1 0 492.737 4.192 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001300437940 1068704415 /nfs/dbraw/zinc/70/44/15/1068704415.db2.gz AFARTTRFEKGMLK-QFIPXVFZSA-N 1 0 481.442 4.261 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CC[NH+](CC)CC1 ZINC001359064205 1068705628 /nfs/dbraw/zinc/70/56/28/1068705628.db2.gz NWRGUDQNZKKSBV-RBJSKKJNSA-N 1 0 478.685 4.055 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300439735 1068710705 /nfs/dbraw/zinc/71/07/05/1068710705.db2.gz HFBOHNKGSNXILO-SFHVURJKSA-N 1 0 462.392 4.281 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359065943 1068711097 /nfs/dbraw/zinc/71/10/97/1068711097.db2.gz IJBAXCNDYJHUBO-ZEQKJWHPSA-N 1 0 451.615 4.075 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC[N@@H+](C)[C@H](C)CC ZINC001359066728 1068713970 /nfs/dbraw/zinc/71/39/70/1068713970.db2.gz MRNQVWFJKFURAV-FOIQADDNSA-N 1 0 450.450 4.492 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[N@H+]1CC ZINC001359067200 1068715354 /nfs/dbraw/zinc/71/53/54/1068715354.db2.gz DUHRYASUDCABAW-HTAPYJJXSA-N 1 0 460.395 4.323 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[N@H+]1CCC[C@@H]1C ZINC001359067642 1068717097 /nfs/dbraw/zinc/71/70/97/1068717097.db2.gz WILRWRVGKHENBA-KSFYIVLOSA-N 1 0 460.395 4.323 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001359073954 1068729185 /nfs/dbraw/zinc/72/91/85/1068729185.db2.gz KQXFXQUEZDQFTB-RUZDIDTESA-N 1 0 467.683 4.293 20 30 JIEDRO 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N#Cc1c(Cl)cc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748062 720932974 /nfs/dbraw/zinc/93/29/74/720932974.db2.gz FLFVQIHGDIZSGT-NTKDMRAZSA-N 1 0 472.420 4.410 20 30 JIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164868044 721192513 /nfs/dbraw/zinc/19/25/13/721192513.db2.gz JNZGBLWUXWVNPM-RTWAWAEBSA-N 1 0 496.949 4.088 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868187 721197574 /nfs/dbraw/zinc/19/75/74/721197574.db2.gz KTYLSMWVAJQMRY-ZWKOTPCHSA-N 1 0 451.933 4.082 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164803388 721592129 /nfs/dbraw/zinc/59/21/29/721592129.db2.gz HXOMMZYUMPWDAF-HFMPRLQTSA-N 1 0 465.960 4.471 20 30 JIEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906204 721697935 /nfs/dbraw/zinc/69/79/35/721697935.db2.gz MBKOYNNTLABQCH-LJQANCHMSA-N 1 0 453.871 4.284 20 30 JIEDRO N#Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164913085 721735511 /nfs/dbraw/zinc/73/55/11/721735511.db2.gz SJEOTBUOWYFRCZ-QHCPKHFHSA-N 1 0 464.476 4.147 20 30 JIEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1F ZINC001164963190 722056560 /nfs/dbraw/zinc/05/65/60/722056560.db2.gz ICJMXHNTZXYKPS-UHFFFAOYSA-N 1 0 492.986 4.322 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001300644479 1069316334 /nfs/dbraw/zinc/31/63/34/1069316334.db2.gz XIYLFUGXVHEJLQ-UBFVSLLYSA-N 1 0 463.670 4.221 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359279850 1069320581 /nfs/dbraw/zinc/32/05/81/1069320581.db2.gz VPUPMXCFKGHYGT-GOSISDBHSA-N 1 0 462.436 4.139 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300649892 1069330197 /nfs/dbraw/zinc/33/01/97/1069330197.db2.gz YEXCJDYSSXFBKQ-MQSCRBSSSA-N 1 0 467.633 4.317 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300650874 1069333593 /nfs/dbraw/zinc/33/35/93/1069333593.db2.gz ZFIDIHVRZWHPOA-SZPZYZBQSA-N 1 0 467.633 4.289 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300654727 1069346440 /nfs/dbraw/zinc/34/64/40/1069346440.db2.gz FHRIEWMWKYLHAH-JOCHJYFZSA-N 1 0 486.060 4.490 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300656156 1069351127 /nfs/dbraw/zinc/35/11/27/1069351127.db2.gz ALLKCFVMDUWPFM-UPVQGACJSA-N 1 0 474.634 4.047 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300655472 1069349514 /nfs/dbraw/zinc/34/95/14/1069349514.db2.gz YYYVESJALXMGSB-GOSISDBHSA-N 1 0 492.437 4.197 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359312494 1069356721 /nfs/dbraw/zinc/35/67/21/1069356721.db2.gz VWQKCCAFJRXUBF-RDPSFJRHSA-N 1 0 494.684 4.439 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001359314842 1069362447 /nfs/dbraw/zinc/36/24/47/1069362447.db2.gz ITFJEHIOCLHOMQ-LEWJYISDSA-N 1 0 475.584 4.448 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359315869 1069366182 /nfs/dbraw/zinc/36/61/82/1069366182.db2.gz DBVGDKPRVMBMDN-SFTDATJTSA-N 1 0 459.038 4.285 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001359316284 1069367275 /nfs/dbraw/zinc/36/72/75/1069367275.db2.gz LVNPTPDNQYQOET-AZUAARDMSA-N 1 0 460.022 4.120 20 30 JIEDRO C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359338633 1069399249 /nfs/dbraw/zinc/39/92/49/1069399249.db2.gz BXIFQBYDNDJEGY-UHFFFAOYSA-N 1 0 462.063 4.066 20 30 JIEDRO C=CCSCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001359340365 1069403018 /nfs/dbraw/zinc/40/30/18/1069403018.db2.gz KVQUGEFSLABEQH-HXUWFJFHSA-N 1 0 466.655 4.095 20 30 JIEDRO C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359344352 1069411393 /nfs/dbraw/zinc/41/13/93/1069411393.db2.gz UVLDRMWLIJXHRU-UHFFFAOYSA-N 1 0 455.672 4.251 20 30 JIEDRO C=CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001359345712 1069415446 /nfs/dbraw/zinc/41/54/46/1069415446.db2.gz ODEAHRBJJZDDRB-XZOQPEGZSA-N 1 0 468.715 4.044 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300676625 1069425703 /nfs/dbraw/zinc/42/57/03/1069425703.db2.gz OVSLWGSTIUVIOA-XMMPIXPASA-N 1 0 472.634 4.143 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359467863 1069606170 /nfs/dbraw/zinc/60/61/70/1069606170.db2.gz ZSLAMFHPVKDARN-HYFFOGBASA-N 1 0 463.051 4.105 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC[NH+]1CCC(C)CC1 ZINC001359470709 1069619903 /nfs/dbraw/zinc/61/99/03/1069619903.db2.gz DJCCSEDVHAPDQP-QFIPXVFZSA-N 1 0 460.630 4.239 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001359472140 1069619736 /nfs/dbraw/zinc/61/97/36/1069619736.db2.gz GQSVPEIKMKFQON-FYYLOGMGSA-N 1 0 495.672 4.120 20 30 JIEDRO CC(C)[NH+](CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N)C(C)C ZINC001359472474 1069621509 /nfs/dbraw/zinc/62/15/09/1069621509.db2.gz LYRZVRNYIRTFFH-VXKWHMMOSA-N 1 0 489.709 4.497 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359474056 1069625460 /nfs/dbraw/zinc/62/54/60/1069625460.db2.gz MJCCCWXDIUWLPI-IBGZPJMESA-N 1 0 473.090 4.480 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359477098 1069636483 /nfs/dbraw/zinc/63/64/83/1069636483.db2.gz QVFJRUJBAKWREB-OTWHNJEPSA-N 1 0 489.462 4.336 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001359477334 1069638438 /nfs/dbraw/zinc/63/84/38/1069638438.db2.gz WAVOMVLAWZZLRF-NRFANRHFSA-N 1 0 452.647 4.482 20 30 JIEDRO CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001359524176 1069812483 /nfs/dbraw/zinc/81/24/83/1069812483.db2.gz BSNAMVPMFAFMQW-XMMPIXPASA-N 1 0 480.657 4.246 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359547957 1069854324 /nfs/dbraw/zinc/85/43/24/1069854324.db2.gz IHVISJOKUFMRHU-HXUWFJFHSA-N 1 0 489.590 4.012 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001359548682 1069856219 /nfs/dbraw/zinc/85/62/19/1069856219.db2.gz LZZMPYZCYKMGDM-LEWJYISDSA-N 1 0 454.594 4.178 20 30 JIEDRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359555275 1069868222 /nfs/dbraw/zinc/86/82/22/1069868222.db2.gz NVSHQTLMOYMEQG-UHFFFAOYSA-N 1 0 499.704 4.397 20 30 JIEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359563611 1069891002 /nfs/dbraw/zinc/89/10/02/1069891002.db2.gz TZCKKKYBJBRZCV-JOCHJYFZSA-N 1 0 493.656 4.185 20 30 JIEDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359620509 1070093698 /nfs/dbraw/zinc/09/36/98/1070093698.db2.gz SMDRKRUJCQATPD-RUZDIDTESA-N 1 0 491.684 4.214 20 30 JIEDRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001359627210 1070125959 /nfs/dbraw/zinc/12/59/59/1070125959.db2.gz FEYFMHKXQJMRHS-ISKFKSNPSA-N 1 0 491.684 4.070 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CC1CC1)[NH+]1CCCC1 ZINC001359657514 1070246647 /nfs/dbraw/zinc/24/66/47/1070246647.db2.gz JGCKYOPCMFCTFO-NRFANRHFSA-N 1 0 488.478 4.297 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCOCC1 ZINC001359658725 1070258990 /nfs/dbraw/zinc/25/89/90/1070258990.db2.gz HYKHWGJLQMRDJB-OAQYLSRUSA-N 1 0 475.012 4.224 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359659571 1070266645 /nfs/dbraw/zinc/26/66/45/1070266645.db2.gz YOVYDTOSWQFVCI-KNQAVFIVSA-N 1 0 489.590 4.010 20 30 JIEDRO CC(C)[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001359662484 1070284158 /nfs/dbraw/zinc/28/41/58/1070284158.db2.gz AIYAHEMHGGAJPH-HSZRJFAPSA-N 1 0 499.704 4.253 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001315530573 1064514278 /nfs/dbraw/zinc/51/42/78/1064514278.db2.gz YDMABTHRJZJXKE-FGZHOGPDSA-N 1 0 480.657 4.364 20 30 JIEDRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)[NH+](C)C)c1 ZINC001315548309 1064559560 /nfs/dbraw/zinc/55/95/60/1064559560.db2.gz ZGUBACHGVXTWNS-DEOSSOPVSA-N 1 0 459.598 4.090 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315625275 1064766746 /nfs/dbraw/zinc/76/67/46/1064766746.db2.gz IRVREILTRCCZDH-UZINWLIJSA-N 1 0 468.621 4.078 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001315665242 1064878370 /nfs/dbraw/zinc/87/83/70/1064878370.db2.gz YZNLPZKDZSWLJR-JOCHJYFZSA-N 1 0 498.697 4.066 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(CC#N)CC2)CC1 ZINC001315706240 1064977272 /nfs/dbraw/zinc/97/72/72/1064977272.db2.gz TWLFOOZZFSDBPE-UHFFFAOYSA-N 1 0 494.684 4.493 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001315706605 1064978209 /nfs/dbraw/zinc/97/82/09/1064978209.db2.gz SZJCKVMQIPQUMG-XMMPIXPASA-N 1 0 472.037 4.013 20 30 JIEDRO COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001316051747 1065674836 /nfs/dbraw/zinc/67/48/36/1065674836.db2.gz LOEXLMXPBYYNSZ-RBISFHTESA-N 1 0 494.684 4.349 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001316085581 1065737565 /nfs/dbraw/zinc/73/75/65/1065737565.db2.gz BQESGOMKNDLZBW-NRFANRHFSA-N 1 0 466.655 4.465 20 30 JIEDRO N#CCOc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001317830992 1066716757 /nfs/dbraw/zinc/71/67/57/1066716757.db2.gz WBSSHXRLVPQULG-UHFFFAOYSA-N 1 0 455.562 4.233 20 30 JIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC001350339403 1066945067 /nfs/dbraw/zinc/94/50/67/1066945067.db2.gz DYPTZYMUQCJQQO-KRWDZBQOSA-N 1 0 456.384 4.390 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001300707275 1067075424 /nfs/dbraw/zinc/07/54/24/1067075424.db2.gz CXOBUPPJKINDNS-FGZHOGPDSA-N 1 0 453.606 4.182 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001300778930 1067333923 /nfs/dbraw/zinc/33/39/23/1067333923.db2.gz KIRPKJIVPFYCNV-XMMPIXPASA-N 1 0 490.574 4.414 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001300782883 1067340107 /nfs/dbraw/zinc/34/01/07/1067340107.db2.gz SMKNXVXAOOWKLV-GOSISDBHSA-N 1 0 450.587 4.319 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001300785378 1067346539 /nfs/dbraw/zinc/34/65/39/1067346539.db2.gz PQJIQCLGSCPDMK-KDYSTLNUSA-N 1 0 498.647 4.366 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001300788165 1067353527 /nfs/dbraw/zinc/35/35/27/1067353527.db2.gz SMWWJUAPKKJVGE-HDYLNDSGSA-N 1 0 485.698 4.455 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300788643 1067355157 /nfs/dbraw/zinc/35/51/57/1067355157.db2.gz GZSCOYMDZAWALT-AREMUKBSSA-N 1 0 451.615 4.076 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001300790830 1067360923 /nfs/dbraw/zinc/36/09/23/1067360923.db2.gz XDSGHNMGIHVGOP-QZTZHPFYSA-N 1 0 459.997 4.229 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300029701 1067414277 /nfs/dbraw/zinc/41/42/77/1067414277.db2.gz UKFMZIUQALKVCS-SFTDATJTSA-N 1 0 450.631 4.452 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)Nc2ccccc2)cc1 ZINC000849069641 1067796481 /nfs/dbraw/zinc/79/64/81/1067796481.db2.gz AAMHBEJOWZYIGT-VWLOTQADSA-N 1 0 492.645 4.210 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300272954 1068054359 /nfs/dbraw/zinc/05/43/59/1068054359.db2.gz QZJAFEJVYMROHJ-QFIPXVFZSA-N 1 0 466.630 4.116 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300275220 1068057955 /nfs/dbraw/zinc/05/79/55/1068057955.db2.gz RVOLQPRMRUVLTA-FYYLOGMGSA-N 1 0 465.642 4.138 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300276602 1068060144 /nfs/dbraw/zinc/06/01/44/1068060144.db2.gz NTHPQJQQWYKRLT-DNVCBOLYSA-N 1 0 462.411 4.425 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300277059 1068061262 /nfs/dbraw/zinc/06/12/62/1068061262.db2.gz WBRARNAHHWJQIL-AQNXPRMDSA-N 1 0 483.657 4.185 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001300289085 1068090599 /nfs/dbraw/zinc/09/05/99/1068090599.db2.gz DZULSCRCSBEEJU-QFIPXVFZSA-N 1 0 495.668 4.093 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300290030 1068092557 /nfs/dbraw/zinc/09/25/57/1068092557.db2.gz KWQWATFFOSUITR-MJGOQNOKSA-N 1 0 453.612 4.175 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300298772 1068134409 /nfs/dbraw/zinc/13/44/09/1068134409.db2.gz HSAZKYQWUWXJSY-YKSBVNFPSA-N 1 0 489.668 4.204 20 30 JIEDRO 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 ZINC001300302783 1068145808 /nfs/dbraw/zinc/14/58/08/1068145808.db2.gz DUZPYMIUDZZTQG-IFMALSPDSA-N 1 0 498.647 4.122 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2CC[NH+](CCC(C)C)CC2)c1 ZINC001300332421 1068282985 /nfs/dbraw/zinc/28/29/85/1068282985.db2.gz FSIFLFGLPYAPET-UHFFFAOYSA-N 1 0 499.663 4.154 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358873324 1068367517 /nfs/dbraw/zinc/36/75/17/1068367517.db2.gz HNSOTQKAUWSYAV-PMACEKPBSA-N 1 0 462.573 4.367 20 30 JIEDRO 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 ZINC001358875402 1068371012 /nfs/dbraw/zinc/37/10/12/1068371012.db2.gz OUUFGPVFBWFQBU-MZYLBHOOSA-N 1 0 474.653 4.310 20 30 JIEDRO C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300354042 1068371154 /nfs/dbraw/zinc/37/11/54/1068371154.db2.gz VHPUFNGQNGFQNB-SZPZYZBQSA-N 1 0 469.077 4.397 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358878463 1068376945 /nfs/dbraw/zinc/37/69/45/1068376945.db2.gz XBIMSPMZIPMHPA-FUHWJXTLSA-N 1 0 494.503 4.364 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001358880292 1068379353 /nfs/dbraw/zinc/37/93/53/1068379353.db2.gz JDEWNAAOHCXIJM-SJLPKXTDSA-N 1 0 460.420 4.049 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001358899459 1068395777 /nfs/dbraw/zinc/39/57/77/1068395777.db2.gz NPDSOPIYDRLEKP-URXFXBBRSA-N 1 0 492.668 4.256 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358899575 1068396479 /nfs/dbraw/zinc/39/64/79/1068396479.db2.gz PXSCLLOWDMPRSH-IRLDBZIGSA-N 1 0 451.615 4.121 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358899897 1068397909 /nfs/dbraw/zinc/39/79/09/1068397909.db2.gz XFEUYUSKFNCDBG-UXHICEINSA-N 1 0 465.623 4.222 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001358900241 1068398511 /nfs/dbraw/zinc/39/85/11/1068398511.db2.gz GGBDMPCQPRWMDO-QFIPXVFZSA-N 1 0 474.609 4.062 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001358908441 1068426751 /nfs/dbraw/zinc/42/67/51/1068426751.db2.gz WXQBAILRVBCWRY-UHFFFAOYSA-N 1 0 499.103 4.405 20 30 JIEDRO C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001300385173 1068481107 /nfs/dbraw/zinc/48/11/07/1068481107.db2.gz ZZJXMPDLYVABCJ-GNKBHMEESA-N 1 0 492.712 4.443 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358943401 1068496236 /nfs/dbraw/zinc/49/62/36/1068496236.db2.gz HULXMQOFKFBJSV-OYRHEFFESA-N 1 0 453.631 4.178 20 30 JIEDRO C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001358947729 1068500479 /nfs/dbraw/zinc/50/04/79/1068500479.db2.gz JUWMAQFCAOIBNC-FGZHOGPDSA-N 1 0 496.656 4.282 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001358972239 1068516730 /nfs/dbraw/zinc/51/67/30/1068516730.db2.gz YQFRYJLWSJDIHJ-LJQANCHMSA-N 1 0 486.433 4.432 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001358973824 1068521594 /nfs/dbraw/zinc/52/15/94/1068521594.db2.gz HDWVXCNKUNQYHR-KNQAVFIVSA-N 1 0 465.026 4.211 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001358976637 1068524361 /nfs/dbraw/zinc/52/43/61/1068524361.db2.gz LRAAJMXNCKRANG-UHFFFAOYSA-N 1 0 456.594 4.328 20 30 JIEDRO C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001300394792 1068525926 /nfs/dbraw/zinc/52/59/26/1068525926.db2.gz WUXANHUGDFHYJA-JOCHJYFZSA-N 1 0 451.615 4.219 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001358986626 1068537849 /nfs/dbraw/zinc/53/78/49/1068537849.db2.gz BIAGBUMRFDVQQU-UHFFFAOYSA-N 1 0 493.453 4.009 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC[NH+]1CCC(O)CC1 ZINC001358988327 1068547141 /nfs/dbraw/zinc/54/71/41/1068547141.db2.gz LKEXBTQQDIDPKJ-UHFFFAOYSA-N 1 0 491.636 4.122 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001358990737 1068553609 /nfs/dbraw/zinc/55/36/09/1068553609.db2.gz ZLPVNXFFUWYBJE-FQEVSTJZSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001358992568 1068555617 /nfs/dbraw/zinc/55/56/17/1068555617.db2.gz PPYBWNOZMBNSIM-JOCHJYFZSA-N 1 0 456.594 4.328 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001358993462 1068556881 /nfs/dbraw/zinc/55/68/81/1068556881.db2.gz NQYCYMAYYVJZPM-DNQXCXABSA-N 1 0 496.700 4.120 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001358993463 1068557021 /nfs/dbraw/zinc/55/70/21/1068557021.db2.gz NQYCYMAYYVJZPM-RPWUZVMVSA-N 1 0 496.700 4.120 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358997399 1068563349 /nfs/dbraw/zinc/56/33/49/1068563349.db2.gz QZECRWWQJJLGFC-VWLOTQADSA-N 1 0 459.638 4.426 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358997671 1068563992 /nfs/dbraw/zinc/56/39/92/1068563992.db2.gz AMBWCAAAVWAHHM-HSZRJFAPSA-N 1 0 461.635 4.301 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC[NH+]1CCN(CC)CC1 ZINC001359003620 1068578171 /nfs/dbraw/zinc/57/81/71/1068578171.db2.gz RHRZTYGQWUWVTD-OAQYLSRUSA-N 1 0 468.715 4.009 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001359005143 1068580646 /nfs/dbraw/zinc/58/06/46/1068580646.db2.gz XDQVVZMDVQZXLX-JOCHJYFZSA-N 1 0 451.615 4.219 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001359013563 1068589247 /nfs/dbraw/zinc/58/92/47/1068589247.db2.gz DMWXGUJYRDPNHH-UHFFFAOYSA-N 1 0 465.001 4.322 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359017869 1068606214 /nfs/dbraw/zinc/60/62/14/1068606214.db2.gz USWZAQQFASUEAK-VXKWHMMOSA-N 1 0 460.601 4.163 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+](C)C)CCCCC1 ZINC001359021633 1068623338 /nfs/dbraw/zinc/62/33/38/1068623338.db2.gz VPMWTUJDCHDFNW-UHFFFAOYSA-N 1 0 492.437 4.197 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359023120 1068626547 /nfs/dbraw/zinc/62/65/47/1068626547.db2.gz ZZKRUDQTZIPWQO-OAQYLSRUSA-N 1 0 462.642 4.033 20 30 JIEDRO 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C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359469512 1069614652 /nfs/dbraw/zinc/61/46/52/1069614652.db2.gz GPCVBSZKQXILSH-DLBZAZTESA-N 1 0 465.429 4.349 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359469513 1069615143 /nfs/dbraw/zinc/61/51/43/1069615143.db2.gz GPCVBSZKQXILSH-IAGOWNOFSA-N 1 0 465.429 4.349 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359474985 1069627689 /nfs/dbraw/zinc/62/76/89/1069627689.db2.gz ZWGHPIUIUINUIZ-XXBNENTESA-N 1 0 452.603 4.041 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359542268 1069840798 /nfs/dbraw/zinc/84/07/98/1069840798.db2.gz UHRZWDMSHKSOQH-QHCPKHFHSA-N 1 0 464.658 4.438 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001359659000 1070262454 /nfs/dbraw/zinc/26/24/54/1070262454.db2.gz NLBFQZYKVYXONH-XUZZJYLKSA-N 1 0 475.012 4.224 20 30 JIEDRO CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)OC1CCCC1)[NH+]1CCCC1 ZINC001359665511 1070296508 /nfs/dbraw/zinc/29/65/08/1070296508.db2.gz AYNFVMMKEBCVJC-QHCPKHFHSA-N 1 0 452.603 4.160 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315654057 1064840169 /nfs/dbraw/zinc/84/01/69/1064840169.db2.gz DXCTUGJNQQTSTN-QFQXNSOFSA-N 1 0 466.630 4.118 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315654013 1064840349 /nfs/dbraw/zinc/84/03/49/1064840349.db2.gz CMJLEXOGQYEMJQ-QFQXNSOFSA-N 1 0 466.630 4.260 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315655403 1064844169 /nfs/dbraw/zinc/84/41/69/1064844169.db2.gz XPYWRRFTEAYFRZ-QFIPXVFZSA-N 1 0 466.630 4.116 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001315661737 1064862513 /nfs/dbraw/zinc/86/25/13/1064862513.db2.gz WNVDRDIWWLHPGR-VQTJNVASSA-N 1 0 456.660 4.438 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001315665990 1064880651 /nfs/dbraw/zinc/88/06/51/1064880651.db2.gz VGJNGRRZKAWAIH-UHFFFAOYSA-N 1 0 498.697 4.208 20 30 JIEDRO COC1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001315684578 1064933115 /nfs/dbraw/zinc/93/31/15/1064933115.db2.gz YMPYCDGMSHCCHS-UHFFFAOYSA-N 1 0 494.684 4.491 20 30 JIEDRO COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](CC(C)C)CC2)CCCC1 ZINC001315837530 1065214749 /nfs/dbraw/zinc/21/47/49/1065214749.db2.gz JLKMLGVMIFFKLO-UHFFFAOYSA-N 1 0 450.631 4.192 20 30 JIEDRO COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992854 1065567982 /nfs/dbraw/zinc/56/79/82/1065567982.db2.gz JLNQASKAOFNUSI-ZJSXRUAMSA-N 1 0 450.631 4.190 20 30 JIEDRO COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315993659 1065570227 /nfs/dbraw/zinc/57/02/27/1065570227.db2.gz OXRDKMJQHFKTLO-DHIUTWEWSA-N 1 0 450.631 4.048 20 30 JIEDRO COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316084401 1065734195 /nfs/dbraw/zinc/73/41/95/1065734195.db2.gz FQKZLJFTXAOFAN-OAQYLSRUSA-N 1 0 452.647 4.436 20 30 JIEDRO COCCN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001316093311 1065753855 /nfs/dbraw/zinc/75/38/55/1065753855.db2.gz DEEDJXNWPUOKQT-UHFFFAOYSA-N 1 0 462.598 4.327 20 30 JIEDRO COCCN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316096231 1065759477 /nfs/dbraw/zinc/75/94/77/1065759477.db2.gz ZNWBPCBLISDTGQ-LEWJYISDSA-N 1 0 462.598 4.183 20 30 JIEDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C[C@@H]1C ZINC001316127084 1065799565 /nfs/dbraw/zinc/79/95/65/1065799565.db2.gz SHDBFKWREGECNT-IBGZPJMESA-N 1 0 464.639 4.013 20 30 JIEDRO CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCOCC1 ZINC001316402184 1066180585 /nfs/dbraw/zinc/18/05/85/1066180585.db2.gz LVHHNCTZFLPXBV-UHFFFAOYSA-N 1 0 482.698 4.287 20 30 JIEDRO Cc1ccc(C2(CNC(N[C@@H]3CCOc4ccccc43)=[NH+]CC3(O)CCOCC3)CCC2)cc1C ZINC001336368633 1066437925 /nfs/dbraw/zinc/43/79/25/1066437925.db2.gz WTZIRJZXGNEDMZ-RUZDIDTESA-N 1 0 477.649 4.326 20 30 JIEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1Br ZINC001336713573 1066444930 /nfs/dbraw/zinc/44/49/30/1066444930.db2.gz QJAWQBSJVGNNGI-RDPSFJRHSA-N 1 0 467.363 4.448 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCCOC(F)(F)F)c1 ZINC001316528326 1066545995 /nfs/dbraw/zinc/54/59/95/1066545995.db2.gz COCFMNCADIWZHW-LJQANCHMSA-N 1 0 462.520 4.055 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC2CCCCC2)c1 ZINC001316529719 1066548872 /nfs/dbraw/zinc/54/88/72/1066548872.db2.gz CHJVVLDKIAUCLC-UHFFFAOYSA-N 1 0 490.574 4.488 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC001317878640 1066750049 /nfs/dbraw/zinc/75/00/49/1066750049.db2.gz ZVMWQBCZOOPXQS-UHFFFAOYSA-N 1 0 480.565 4.126 20 30 JIEDRO Cc1sc2ncn(N=Cc3ccc(N4CCN(C)CC4)c(F)c3)c(=O)c2c1-c1ccccc1 ZINC001317894263 1066764276 /nfs/dbraw/zinc/76/42/76/1066764276.db2.gz SDUAAEPJTLMTHT-UHFFFAOYSA-N 1 0 461.566 4.207 20 30 JIEDRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCNc1ncccc1C#N ZINC001318366842 1067033288 /nfs/dbraw/zinc/03/32/88/1067033288.db2.gz GOBZXBPONUDOFG-UHFFFAOYSA-N 1 0 454.166 4.079 20 30 JIEDRO C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 ZINC001300701558 1067061573 /nfs/dbraw/zinc/06/15/73/1067061573.db2.gz WIRYRGHEOFIZCI-UHFFFAOYSA-N 1 0 494.684 4.016 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001300728768 1067148462 /nfs/dbraw/zinc/14/84/62/1067148462.db2.gz FOXXMAHAXFSVHR-JOCHJYFZSA-N 1 0 490.696 4.106 20 30 JIEDRO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001300743598 1067239789 /nfs/dbraw/zinc/23/97/89/1067239789.db2.gz VTRBEOTUAZJHHY-GOSISDBHSA-N 1 0 499.482 4.113 20 30 JIEDRO C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300743753 1067240359 /nfs/dbraw/zinc/24/03/59/1067240359.db2.gz ZPAKWJYIPJCUMD-GOSISDBHSA-N 1 0 457.713 4.418 20 30 JIEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)CC1 ZINC001322424949 1067291268 /nfs/dbraw/zinc/29/12/68/1067291268.db2.gz GORZBOVXBWBRRC-UHFFFAOYSA-N 1 0 485.607 4.357 20 30 JIEDRO C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001300767105 1067311143 /nfs/dbraw/zinc/31/11/43/1067311143.db2.gz RCJJKMXHLJCSRU-CTNGQTDRSA-N 1 0 472.728 4.091 20 30 JIEDRO C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001300769397 1067315505 /nfs/dbraw/zinc/31/55/05/1067315505.db2.gz GEGCTWOOZQYQCW-NRFANRHFSA-N 1 0 467.683 4.151 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300778681 1067333449 /nfs/dbraw/zinc/33/34/49/1067333449.db2.gz DIBRLCKGJRDQOY-AREMUKBSSA-N 1 0 462.642 4.404 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001300783516 1067341271 /nfs/dbraw/zinc/34/12/71/1067341271.db2.gz YURYCBZLGDAZIP-OAQYLSRUSA-N 1 0 462.642 4.499 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300788788 1067355443 /nfs/dbraw/zinc/35/54/43/1067355443.db2.gz MDOYFOHPUKXDHN-JIPXPUAJSA-N 1 0 465.642 4.322 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300790423 1067360024 /nfs/dbraw/zinc/36/00/24/1067360024.db2.gz QAIHMAHLUORTCB-QFQXNSOFSA-N 1 0 451.615 4.219 20 30 JIEDRO N#Cc1cc(Br)ccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001357606700 1067876505 /nfs/dbraw/zinc/87/65/05/1067876505.db2.gz VFUIZMATMLHPOK-UHFFFAOYSA-N 1 0 455.356 4.388 20 30 JIEDRO C[NH+](C)CCn1ncc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1-c1ccccc1 ZINC001358034560 1067996121 /nfs/dbraw/zinc/99/61/21/1067996121.db2.gz HOZBIPYUFQISFC-HXUWFJFHSA-N 1 0 457.456 4.005 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300274551 1068057836 /nfs/dbraw/zinc/05/78/36/1068057836.db2.gz LFFAYNCXMUJNIC-IRLDBZIGSA-N 1 0 467.658 4.382 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300276347 1068059463 /nfs/dbraw/zinc/05/94/63/1068059463.db2.gz LHERWODGGNJYEH-OTWHNJEPSA-N 1 0 475.479 4.262 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300277062 1068061352 /nfs/dbraw/zinc/06/13/52/1068061352.db2.gz WBRARNAHHWJQIL-ZCNNSNEGSA-N 1 0 483.657 4.185 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)s2)cc1 ZINC000491725268 1068068703 /nfs/dbraw/zinc/06/87/03/1068068703.db2.gz YUGHJSCUCAWULI-NRFANRHFSA-N 1 0 478.647 4.388 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300285022 1068082391 /nfs/dbraw/zinc/08/23/91/1068082391.db2.gz RQKGLVKUHDDVHW-LVXARBLLSA-N 1 0 466.630 4.260 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300286542 1068086261 /nfs/dbraw/zinc/08/62/61/1068086261.db2.gz KFPFINGSFCHRRX-FQEVSTJZSA-N 1 0 453.631 4.463 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300286912 1068086951 /nfs/dbraw/zinc/08/69/51/1068086951.db2.gz PRQROIPAHVWSCB-IBGZPJMESA-N 1 0 486.060 4.489 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300289787 1068091855 /nfs/dbraw/zinc/09/18/55/1068091855.db2.gz JMEOJNISTBXKDZ-MJGOQNOKSA-N 1 0 474.447 4.439 20 30 JIEDRO 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 ZINC001300298369 1068132977 /nfs/dbraw/zinc/13/29/77/1068132977.db2.gz BLVFQCOHUUSLGL-YADHBBJMSA-N 1 0 489.668 4.062 20 30 JIEDRO 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 ZINC001300302784 1068145903 /nfs/dbraw/zinc/14/59/03/1068145903.db2.gz DUZPYMIUDZZTQG-IRLDBZIGSA-N 1 0 498.647 4.122 20 30 JIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(F)c1 ZINC000510247607 1068167546 /nfs/dbraw/zinc/16/75/46/1068167546.db2.gz ZEPSJAPDDPPGFA-SFHVURJKSA-N 1 0 456.572 4.266 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300315205 1068206972 /nfs/dbraw/zinc/20/69/72/1068206972.db2.gz SRXFSBFKIONFGQ-KRWDZBQOSA-N 1 0 454.669 4.065 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300330240 1068269290 /nfs/dbraw/zinc/26/92/90/1068269290.db2.gz WOYGPLIHPXCWBZ-YSIASYRMSA-N 1 0 472.659 4.172 20 30 JIEDRO 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 ZINC001300330426 1068270752 /nfs/dbraw/zinc/27/07/52/1068270752.db2.gz YKLLRZVESHKNJV-PRTQVNTJSA-N 1 0 480.657 4.027 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001300331426 1068274923 /nfs/dbraw/zinc/27/49/23/1068274923.db2.gz KYOQKMNCVCVGEY-PGRDOPGGSA-N 1 0 464.639 4.212 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001300331423 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/nfs/dbraw/zinc/10/81/21/1069108121.db2.gz RILMSLXRTHAJKA-UHFFFAOYSA-N 1 0 450.675 4.423 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300595637 1069171466 /nfs/dbraw/zinc/17/14/66/1069171466.db2.gz DQIRICKHNRUBGN-SQVYLTPJSA-N 1 0 496.700 4.022 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300596185 1069173713 /nfs/dbraw/zinc/17/37/13/1069173713.db2.gz VCGMCOGJVJEMST-SFTDATJTSA-N 1 0 486.085 4.186 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300596676 1069175501 /nfs/dbraw/zinc/17/55/01/1069175501.db2.gz ZILNIKKZIUCQLL-KCZVDYSFSA-N 1 0 453.656 4.024 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001300604397 1069194710 /nfs/dbraw/zinc/19/47/10/1069194710.db2.gz IFKVCNGJJMINEA-UHFFFAOYSA-N 1 0 495.469 4.343 20 30 JIEDRO C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC001359253809 1069207914 /nfs/dbraw/zinc/20/79/14/1069207914.db2.gz VOKOYXCKRSNLCY-FPOVZHCZSA-N 1 0 458.651 4.237 20 30 JIEDRO C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001359253914 1069208475 /nfs/dbraw/zinc/20/84/75/1069208475.db2.gz YQQUVOWINNMAAP-NPDDRXJXSA-N 1 0 459.679 4.239 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300609152 1069209326 /nfs/dbraw/zinc/20/93/26/1069209326.db2.gz KRZLTPMQIBUVBI-KRWDZBQOSA-N 1 0 462.411 4.428 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359255332 1069227796 /nfs/dbraw/zinc/22/77/96/1069227796.db2.gz UXMXWWOKKLPMHX-ZJSXRUAMSA-N 1 0 453.631 4.451 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)[C@H](c2cnn(C)c2)C1 ZINC000849602869 1069260321 /nfs/dbraw/zinc/26/03/21/1069260321.db2.gz BLMFFOHWDXJTAQ-WTNAPCKOSA-N 1 0 461.532 4.194 20 30 JIEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cn1 ZINC000849612575 1069275616 /nfs/dbraw/zinc/27/56/16/1069275616.db2.gz JKODQWIQSKUKJW-JKSUJKDBSA-N 1 0 466.401 4.384 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359260105 1069280167 /nfs/dbraw/zinc/28/01/67/1069280167.db2.gz SQNXGHCGFUMMPG-RXFWQSSRSA-N 1 0 470.637 4.259 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001359261422 1069284492 /nfs/dbraw/zinc/28/44/92/1069284492.db2.gz IBJMCXGSLMEAPZ-HXUWFJFHSA-N 1 0 456.660 4.033 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359262200 1069287740 /nfs/dbraw/zinc/28/77/40/1069287740.db2.gz LOESPMOFLJKKKF-UHFFFAOYSA-N 1 0 480.682 4.234 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC001359264538 1069296220 /nfs/dbraw/zinc/29/62/20/1069296220.db2.gz HRJOQLGYRBYUIE-VXKWHMMOSA-N 1 0 456.679 4.085 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC001359264863 1069298061 /nfs/dbraw/zinc/29/80/61/1069298061.db2.gz ROOYZALOHHRRPP-RBUKOAKNSA-N 1 0 498.981 4.460 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001359265288 1069299589 /nfs/dbraw/zinc/29/95/89/1069299589.db2.gz CLWXJASICHLLQZ-UYAOXDASSA-N 1 0 455.569 4.259 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001359265286 1069299639 /nfs/dbraw/zinc/29/96/39/1069299639.db2.gz CLWXJASICHLLQZ-ICSRJNTNSA-N 1 0 455.569 4.259 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001359268505 1069306356 /nfs/dbraw/zinc/30/63/56/1069306356.db2.gz SEJLSMYMKXTTID-NRFANRHFSA-N 1 0 468.715 4.480 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359271008 1069309362 /nfs/dbraw/zinc/30/93/62/1069309362.db2.gz INNQVPQYMBVYAX-FQEVSTJZSA-N 1 0 461.595 4.137 20 30 JIEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC2)CC1 ZINC001164617138 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/nfs/dbraw/zinc/80/35/09/720803509.db2.gz MCRMXPQRESRXJE-RPBOFIJWSA-N 1 0 474.568 4.419 20 30 JIEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754989 720933471 /nfs/dbraw/zinc/93/34/71/720933471.db2.gz XSRNEDPWFDYDRJ-IAPPQJPRSA-N 1 0 474.725 4.461 20 30 JIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)[C@@H]2C ZINC001164858867 721018814 /nfs/dbraw/zinc/01/88/14/721018814.db2.gz ICSPRZNBLWWTRM-MRXNPFEDSA-N 1 0 451.962 4.412 20 30 JIEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905607 721708463 /nfs/dbraw/zinc/70/84/63/721708463.db2.gz HXRWZCXBMJQAHS-LJQANCHMSA-N 1 0 453.871 4.284 20 30 JIEDRO N#C[C@@H](c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1)c1ccccc1F ZINC001164906753 721713348 /nfs/dbraw/zinc/71/33/48/721713348.db2.gz NZXDTHQDBLNFLB-BWKNWUBXSA-N 1 0 478.522 4.404 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300643073 1069312210 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MZGZNULYTBEBRZ-JOCHJYFZSA-N 1 0 468.671 4.183 20 30 JIEDRO N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CCCCC[NH+]2CCCC2)C1 ZINC001316528718 1066546607 /nfs/dbraw/zinc/54/66/07/1066546607.db2.gz ZFSJDLMIINEDOV-FQEVSTJZSA-N 1 0 481.439 4.477 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC2=CCCCC2)c1 ZINC001316530331 1066549818 /nfs/dbraw/zinc/54/98/18/1066549818.db2.gz HOXPIHGAHZRDIF-UHFFFAOYSA-N 1 0 488.558 4.408 20 30 JIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 ZINC001318258378 1066987407 /nfs/dbraw/zinc/98/74/07/1066987407.db2.gz QDHZNNASLJNCST-FQEVSTJZSA-N 1 0 484.522 4.053 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC[C@@H]2CC)CC1 ZINC001300688439 1067032909 /nfs/dbraw/zinc/03/29/09/1067032909.db2.gz FHEHCYATPPZKQD-ZWKOTPCHSA-N 1 0 474.422 4.428 20 30 JIEDRO CC[NH+](CC)C1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001321637176 1067185456 /nfs/dbraw/zinc/18/54/56/1067185456.db2.gz YJXWVOMXSCBDLV-UHFFFAOYSA-N 1 0 450.608 4.235 20 30 JIEDRO C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001300740810 1067223555 /nfs/dbraw/zinc/22/35/55/1067223555.db2.gz DYKOKRCGCBSMOX-XUZZJYLKSA-N 1 0 451.684 4.497 20 30 JIEDRO C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001300775826 1067328486 /nfs/dbraw/zinc/32/84/86/1067328486.db2.gz AIUVPQMDOPVSJV-UHFFFAOYSA-N 1 0 471.646 4.065 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001300782506 1067339664 /nfs/dbraw/zinc/33/96/64/1067339664.db2.gz NFJRZQFHFDYNDU-UHFFFAOYSA-N 1 0 479.654 4.108 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001300786194 1067348367 /nfs/dbraw/zinc/34/83/67/1067348367.db2.gz FHIYKYNICBRAPX-IBGGVINMSA-N 1 0 479.669 4.264 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300786195 1067348556 /nfs/dbraw/zinc/34/85/56/1067348556.db2.gz FHIYKYNICBRAPX-PRVBGKCFSA-N 1 0 479.669 4.264 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300787596 1067352086 /nfs/dbraw/zinc/35/20/86/1067352086.db2.gz MAXRIZMDSVIINR-SXOMAYOGSA-N 1 0 471.690 4.069 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001300789761 1067358315 /nfs/dbraw/zinc/35/83/15/1067358315.db2.gz XNNMDJXURAETHR-HSZRJFAPSA-N 1 0 456.432 4.432 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC001300030948 1067420388 /nfs/dbraw/zinc/42/03/88/1067420388.db2.gz QJRUBMZTEWHLGW-NRFANRHFSA-N 1 0 480.657 4.460 20 30 JIEDRO C#CC[C@@]1(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CCCN1C(=O)OC(C)(C)C ZINC001356352833 1067733058 /nfs/dbraw/zinc/73/30/58/1067733058.db2.gz PJGVAWOURIZODW-VWLOTQADSA-N 1 0 457.640 4.275 20 30 JIEDRO CC(=O)N1CCN(c2ccccc2CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)CC1 ZINC000849073642 1067796859 /nfs/dbraw/zinc/79/68/59/1067796859.db2.gz SFNQRQBWARMEFC-UHFFFAOYSA-N 1 0 455.606 4.421 20 30 JIEDRO 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C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001300336556 1068311719 /nfs/dbraw/zinc/31/17/19/1068311719.db2.gz JGWAYIWEZCQUGD-UHFFFAOYSA-N 1 0 476.669 4.189 20 30 JIEDRO C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001300342197 1068330448 /nfs/dbraw/zinc/33/04/48/1068330448.db2.gz QTFKGIZIHWSXSV-VXKWHMMOSA-N 1 0 451.615 4.295 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CC[NH+](CC)CC1 ZINC001358872041 1068365843 /nfs/dbraw/zinc/36/58/43/1068365843.db2.gz NTBIXZHRGLTBQN-FGZHOGPDSA-N 1 0 487.092 4.174 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001358885595 1068383444 /nfs/dbraw/zinc/38/34/44/1068383444.db2.gz MVHIPZQVZMNKHW-XMSQKQJNSA-N 1 0 489.649 4.058 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001358885593 1068383684 /nfs/dbraw/zinc/38/36/84/1068383684.db2.gz MVHIPZQVZMNKHW-GCJKJVERSA-N 1 0 489.649 4.058 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001358890346 1068387198 /nfs/dbraw/zinc/38/71/98/1068387198.db2.gz OEYIAOIWKUJLQS-GBXCKJPGSA-N 1 0 451.615 4.007 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358899577 1068396412 /nfs/dbraw/zinc/39/64/12/1068396412.db2.gz PXSCLLOWDMPRSH-UNMCSNQZSA-N 1 0 451.615 4.121 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[N@H+]2CCCC[C@H]2CC)c1 ZINC001358903275 1068407014 /nfs/dbraw/zinc/40/70/14/1068407014.db2.gz QNQHTXZCSAAPHC-RUZDIDTESA-N 1 0 476.669 4.332 20 30 JIEDRO C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001300371928 1068428427 /nfs/dbraw/zinc/42/84/27/1068428427.db2.gz KRSPKBJMAFZOFB-NRFANRHFSA-N 1 0 486.458 4.488 20 30 JIEDRO C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001300373155 1068435576 /nfs/dbraw/zinc/43/55/76/1068435576.db2.gz QARLLSCFCISUQF-KRWDZBQOSA-N 1 0 450.414 4.498 20 30 JIEDRO 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C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358988864 1068548448 /nfs/dbraw/zinc/54/84/48/1068548448.db2.gz GKHWETABDKLWSH-WOJBJXKFSA-N 1 0 454.018 4.190 20 30 JIEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(C)c2)CC1 ZINC001353753488 1068551918 /nfs/dbraw/zinc/55/19/18/1068551918.db2.gz NWUFQLFGOMODKD-JOCHJYFZSA-N 1 0 457.619 4.053 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001358995533 1068558794 /nfs/dbraw/zinc/55/87/94/1068558794.db2.gz VEQNRJDSZKRHMJ-DEOSSOPVSA-N 1 0 452.046 4.496 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358998260 1068566384 /nfs/dbraw/zinc/56/63/84/1068566384.db2.gz XMWYJAJCTDAOKN-NEKDWFFYSA-N 1 0 461.654 4.393 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359001756 1068571449 /nfs/dbraw/zinc/57/14/49/1068571449.db2.gz CGTNCYCIKLMSFC-UHFFFAOYSA-N 1 0 487.696 4.086 20 30 JIEDRO C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359002123 1068572873 /nfs/dbraw/zinc/57/28/73/1068572873.db2.gz OWNBGWPMXDQBHA-DEOSSOPVSA-N 1 0 466.680 4.274 20 30 JIEDRO C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359007403 1068581947 /nfs/dbraw/zinc/58/19/47/1068581947.db2.gz IMLJSOSZIZGUAZ-QFIPXVFZSA-N 1 0 489.649 4.060 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359016268 1068598144 /nfs/dbraw/zinc/59/81/44/1068598144.db2.gz WAIQEAFYFDMAOD-CUBQBAPOSA-N 1 0 497.659 4.218 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001359017454 1068602480 /nfs/dbraw/zinc/60/24/80/1068602480.db2.gz GGCSTDQMROVHAC-JOCHJYFZSA-N 1 0 460.601 4.165 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359017782 1068604703 /nfs/dbraw/zinc/60/47/03/1068604703.db2.gz RHUWGCZWCIJKKC-NZQKXSOJSA-N 1 0 453.606 4.419 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001359032166 1068643568 /nfs/dbraw/zinc/64/35/68/1068643568.db2.gz DXEXRFWITNLQBS-FQEVSTJZSA-N 1 0 489.476 4.372 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359038892 1068650968 /nfs/dbraw/zinc/65/09/68/1068650968.db2.gz ORIVHVHPONQLOO-RUZDIDTESA-N 1 0 492.712 4.165 20 30 JIEDRO C#CCCCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300424015 1068651334 /nfs/dbraw/zinc/65/13/34/1068651334.db2.gz YWAURZXYKVFRFO-CKOJHNACSA-N 1 0 479.669 4.221 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001359041595 1068655760 /nfs/dbraw/zinc/65/57/60/1068655760.db2.gz BWPPATCZNXDPQY-DEOSSOPVSA-N 1 0 497.087 4.219 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001359042617 1068658933 /nfs/dbraw/zinc/65/89/33/1068658933.db2.gz NMSCYJROTDKZRE-DCFHFQCYSA-N 1 0 497.087 4.075 20 30 JIEDRO C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359051953 1068679422 /nfs/dbraw/zinc/67/94/22/1068679422.db2.gz PFFPQFVLDZOAHM-QHCPKHFHSA-N 1 0 462.667 4.276 20 30 JIEDRO C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001359053083 1068683667 /nfs/dbraw/zinc/68/36/67/1068683667.db2.gz ATBQDBSYNDWFAV-SFHVURJKSA-N 1 0 476.488 4.242 20 30 JIEDRO C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300439861 1068711517 /nfs/dbraw/zinc/71/15/17/1068711517.db2.gz KFODHQLSGBMGOB-UHFFFAOYSA-N 1 0 475.609 4.368 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[NH+](C(C)C)C(C)C ZINC001359067622 1068717331 /nfs/dbraw/zinc/71/73/31/1068717331.db2.gz VSFWHLQTTUQYFK-AREMUKBSSA-N 1 0 453.631 4.463 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359067661 1068717662 /nfs/dbraw/zinc/71/76/62/1068717662.db2.gz WWDFRHQOLBCBDC-BKMJKUGQSA-N 1 0 451.615 4.075 20 30 JIEDRO 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Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001353930382 1068764110 /nfs/dbraw/zinc/76/41/10/1068764110.db2.gz UNZZCNVZEWLWIE-UHFFFAOYSA-N 1 0 455.484 4.275 20 30 JIEDRO C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001300457502 1068781552 /nfs/dbraw/zinc/78/15/52/1068781552.db2.gz FLHLMRWFYAWUKN-NHCUHLMSSA-N 1 0 498.697 4.361 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359090179 1068782072 /nfs/dbraw/zinc/78/20/72/1068782072.db2.gz WCHKIECQRXROKC-IPMKNSEASA-N 1 0 466.468 4.170 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359091579 1068787365 /nfs/dbraw/zinc/78/73/65/1068787365.db2.gz PAFRIMAOBKIKEQ-QTEQDKRBSA-N 1 0 471.621 4.459 20 30 JIEDRO C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001300459269 1068788040 /nfs/dbraw/zinc/78/80/40/1068788040.db2.gz QWKVHVZGDWAVFN-NRFANRHFSA-N 1 0 498.697 4.361 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359096019 1068801244 /nfs/dbraw/zinc/80/12/44/1068801244.db2.gz VUTQSEFDFGVWLL-FIKGOQFSSA-N 1 0 492.437 4.358 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359103309 1068809282 /nfs/dbraw/zinc/80/92/82/1068809282.db2.gz MQCNRHNAIIOICX-RDGATRHJSA-N 1 0 467.658 4.376 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359108553 1068818958 /nfs/dbraw/zinc/81/89/58/1068818958.db2.gz SPYGQMUHWHIZCE-UHFFFAOYSA-N 1 0 494.453 4.484 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001359109145 1068819752 /nfs/dbraw/zinc/81/97/52/1068819752.db2.gz QRNFQPRJZAONEV-UHFFFAOYSA-N 1 0 463.045 4.414 20 30 JIEDRO C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359123375 1068833735 /nfs/dbraw/zinc/83/37/35/1068833735.db2.gz CUBUWRLWENBAGP-UHFFFAOYSA-N 1 0 488.076 4.376 20 30 JIEDRO C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359142789 1068852676 /nfs/dbraw/zinc/85/26/76/1068852676.db2.gz OILSVYYEFILPTQ-HXUWFJFHSA-N 1 0 491.055 4.305 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359145175 1068857191 /nfs/dbraw/zinc/85/71/91/1068857191.db2.gz IJVVWGZUAVQMGG-KRWDZBQOSA-N 1 0 480.838 4.009 20 30 JIEDRO C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001359158167 1068869894 /nfs/dbraw/zinc/86/98/94/1068869894.db2.gz HYLNCTCTMJMPLG-JOCHJYFZSA-N 1 0 471.049 4.138 20 30 JIEDRO C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001359160274 1068871040 /nfs/dbraw/zinc/87/10/40/1068871040.db2.gz QCMAJTLYBYQHMI-BWKNWUBXSA-N 1 0 457.619 4.151 20 30 JIEDRO C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001359160876 1068871701 /nfs/dbraw/zinc/87/17/01/1068871701.db2.gz HYGDPCRZMRLTQQ-GOSISDBHSA-N 1 0 459.392 4.098 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001359161614 1068872807 /nfs/dbraw/zinc/87/28/07/1068872807.db2.gz KTPXOEFOJLEUNA-DEOSSOPVSA-N 1 0 478.685 4.342 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001359162662 1068873583 /nfs/dbraw/zinc/87/35/83/1068873583.db2.gz ZABFBPDMYSDFPD-HSZRJFAPSA-N 1 0 496.700 4.171 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300513300 1068893400 /nfs/dbraw/zinc/89/34/00/1068893400.db2.gz XXUYMMIUHNFRRW-UGKGYDQZSA-N 1 0 468.045 4.493 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300513201 1068893543 /nfs/dbraw/zinc/89/35/43/1068893543.db2.gz UNMMUJLRATVDTG-KDURUIRLSA-N 1 0 482.053 4.385 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300520642 1068911310 /nfs/dbraw/zinc/91/13/10/1068911310.db2.gz IGIVQUFXYLGZHK-DHIUTWEWSA-N 1 0 471.605 4.310 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001359192849 1068948737 /nfs/dbraw/zinc/94/87/37/1068948737.db2.gz QDWNADVPJOBABE-RTWAWAEBSA-N 1 0 490.693 4.109 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001359192974 1068949669 /nfs/dbraw/zinc/94/96/69/1068949669.db2.gz TXPXDPGWAISDNA-DNVJHFABSA-N 1 0 472.722 4.015 20 30 JIEDRO C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359198189 1068971990 /nfs/dbraw/zinc/97/19/90/1068971990.db2.gz KQEKBVDHHYQILX-FQEVSTJZSA-N 1 0 457.594 4.215 20 30 JIEDRO C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001359200359 1068978308 /nfs/dbraw/zinc/97/83/08/1068978308.db2.gz BXZVDZVNBNXLRC-GOSISDBHSA-N 1 0 462.436 4.221 20 30 JIEDRO C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001359208698 1068988618 /nfs/dbraw/zinc/98/86/18/1068988618.db2.gz RNMYYUWWQVYWBE-DNQXCXABSA-N 1 0 466.674 4.217 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300548619 1068992719 /nfs/dbraw/zinc/99/27/19/1068992719.db2.gz MMVJZWXITUPARD-RBUKOAKNSA-N 1 0 474.436 4.357 20 30 JIEDRO C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001359211159 1068995544 /nfs/dbraw/zinc/99/55/44/1068995544.db2.gz SWDNXNSLPJPPJT-UHFFFAOYSA-N 1 0 466.033 4.218 20 30 JIEDRO C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001359218927 1069004522 /nfs/dbraw/zinc/00/45/22/1069004522.db2.gz ZUVFOHVUVRRHNR-HSZRJFAPSA-N 1 0 450.675 4.481 20 30 JIEDRO C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359219046 1069005809 /nfs/dbraw/zinc/00/58/09/1069005809.db2.gz DZMWNOSEOZZTIK-IBGZPJMESA-N 1 0 460.420 4.260 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300558718 1069022122 /nfs/dbraw/zinc/02/21/22/1069022122.db2.gz AHBLCQZUWNFEKP-AREMUKBSSA-N 1 0 490.702 4.277 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300559783 1069027325 /nfs/dbraw/zinc/02/73/25/1069027325.db2.gz ZYNUNQBMUBWEPK-NTKDMRAZSA-N 1 0 485.474 4.020 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC[N@H+](C)C1CCCC1 ZINC001300563025 1069039401 /nfs/dbraw/zinc/03/94/01/1069039401.db2.gz DCODKZIDPPMRSQ-UHFFFAOYSA-N 1 0 460.445 4.106 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300571287 1069078426 /nfs/dbraw/zinc/07/84/26/1069078426.db2.gz AMWBQKXWUQCMOT-GOTSBHOMSA-N 1 0 454.622 4.324 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[NH+]1CCC(C)CC1 ZINC001300579303 1069108833 /nfs/dbraw/zinc/10/88/33/1069108833.db2.gz PGWZJUMVYMWBPA-UHFFFAOYSA-N 1 0 456.594 4.185 20 30 JIEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 ZINC000849520978 1069112735 /nfs/dbraw/zinc/11/27/35/1069112735.db2.gz PGSMZEGWQDLSKU-FCHUYYIVSA-N 1 0 463.969 4.198 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001300587034 1069135477 /nfs/dbraw/zinc/13/54/77/1069135477.db2.gz GVELEMVGAJRFPY-QFIPXVFZSA-N 1 0 452.027 4.350 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300587469 1069138066 /nfs/dbraw/zinc/13/80/66/1069138066.db2.gz UKGMYPYTWABKIF-WNCULLNHSA-N 1 0 487.673 4.485 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300591541 1069156852 /nfs/dbraw/zinc/15/68/52/1069156852.db2.gz SLUXGQAQFILJBL-XMMPIXPASA-N 1 0 461.635 4.301 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300591534 1069156917 /nfs/dbraw/zinc/15/69/17/1069156917.db2.gz SDOKZFMUNCLDOP-NEKDWFFYSA-N 1 0 456.638 4.255 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300608650 1069207432 /nfs/dbraw/zinc/20/74/32/1069207432.db2.gz ATDBAIWDNHDSNO-SFHVURJKSA-N 1 0 474.447 4.440 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC[NH+]1CCSCC1 ZINC001359254389 1069218411 /nfs/dbraw/zinc/21/84/11/1069218411.db2.gz POINMEPVWLYWHB-UHFFFAOYSA-N 1 0 453.612 4.097 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359255067 1069226564 /nfs/dbraw/zinc/22/65/64/1069226564.db2.gz MLAWJNKFSMRZAC-UHFFFAOYSA-N 1 0 498.635 4.254 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300626098 1069259220 /nfs/dbraw/zinc/25/92/20/1069259220.db2.gz OGRWUNQMNZIFKK-YADHBBJMSA-N 1 0 472.678 4.117 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCCCC1 ZINC001359259631 1069278019 /nfs/dbraw/zinc/27/80/19/1069278019.db2.gz BXDLEABCNGWUSN-UHFFFAOYSA-N 1 0 477.588 4.133 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCOC2)C1)C(C)C ZINC001359264612 1069296610 /nfs/dbraw/zinc/29/66/10/1069296610.db2.gz JTNXZQUHVNMCDL-BWKNWUBXSA-N 1 0 471.049 4.309 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C ZINC001359264753 1069297347 /nfs/dbraw/zinc/29/73/47/1069297347.db2.gz OOWZXBCQGRVDNK-BAGYTPMASA-N 1 0 469.605 4.209 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC001359264864 1069297949 /nfs/dbraw/zinc/29/79/49/1069297949.db2.gz ROOYZALOHHRRPP-RTBURBONSA-N 1 0 498.981 4.460 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCSC2(CCOCC2)C1)C(C)C ZINC001359265464 1069299622 /nfs/dbraw/zinc/29/96/22/1069299622.db2.gz GNOPKNMPPRSWIQ-QFIPXVFZSA-N 1 0 470.687 4.074 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C(C)C ZINC001359265300 1069299870 /nfs/dbraw/zinc/29/98/70/1069299870.db2.gz CNOPJBDLTXIUJX-BKMJKUGQSA-N 1 0 469.678 4.019 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(F)cc2C1)C(C)C ZINC001359266367 1069301630 /nfs/dbraw/zinc/30/16/30/1069301630.db2.gz ZEUDSUFHKONLHK-ZJSXRUAMSA-N 1 0 453.606 4.182 20 30 JIEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)C2)n1 ZINC001164665808 719358463 /nfs/dbraw/zinc/35/84/63/719358463.db2.gz YYLQEWIQUGKRKD-PMERELPUSA-N 1 0 494.643 4.030 20 30 JIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664955 719359117 /nfs/dbraw/zinc/35/91/17/719359117.db2.gz SVZGSZUBTMKMJG-SQHAQQRYSA-N 1 0 460.626 4.019 20 30 JIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664953 719359280 /nfs/dbraw/zinc/35/92/80/719359280.db2.gz SVZGSZUBTMKMJG-SHQCIBLASA-N 1 0 460.626 4.019 20 30 JIEDRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C#N)c(C)c1Cl ZINC001164684562 719658817 /nfs/dbraw/zinc/65/88/17/719658817.db2.gz YAENNBJVMCBSJY-HXUWFJFHSA-N 1 0 480.056 4.317 20 30 JIEDRO 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 720147693 /nfs/dbraw/zinc/14/76/93/720147693.db2.gz ADYGJFAZEHJHEJ-DWACAAAGSA-N 1 0 496.772 4.480 20 30 JIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2 ZINC001164813922 720203321 /nfs/dbraw/zinc/20/33/21/720203321.db2.gz QUXHIZUJDVHQOS-RDPSFJRHSA-N 1 0 487.982 4.398 20 30 JIEDRO 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 720511136 /nfs/dbraw/zinc/51/11/36/720511136.db2.gz KNBDBMMUCDPDJN-RVKKMQEKSA-N 1 0 469.367 4.379 20 30 JIEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)C1 ZINC001164735280 720535981 /nfs/dbraw/zinc/53/59/81/720535981.db2.gz NUIBCWIKVXLDOV-QGZVFWFLSA-N 1 0 456.928 4.213 20 30 JIEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736155 720574261 /nfs/dbraw/zinc/57/42/61/720574261.db2.gz FDYLXXWCGQAQNU-UHFFFAOYSA-N 1 0 492.744 4.150 20 30 JIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)cc1 ZINC001164742318 720595165 /nfs/dbraw/zinc/59/51/65/720595165.db2.gz MPIWYTVQTURBGV-UHFFFAOYSA-N 1 0 483.954 4.069 20 30 JIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755490 720876385 /nfs/dbraw/zinc/87/63/85/720876385.db2.gz XWUPQCMAZPMHLA-WXVAWEFUSA-N 1 0 489.023 4.305 20 30 JIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)[C@H]2C ZINC001164858864 721018407 /nfs/dbraw/zinc/01/84/07/721018407.db2.gz ICSPRZNBLWWTRM-INIZCTEOSA-N 1 0 451.962 4.412 20 30 JIEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164884360 721453716 /nfs/dbraw/zinc/45/37/16/721453716.db2.gz AUKLGHURNBSZGQ-OSPHWJPCSA-N 1 0 474.436 4.179 20 30 JIEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164884357 721454118 /nfs/dbraw/zinc/45/41/18/721454118.db2.gz AUKLGHURNBSZGQ-BXKMTCNYSA-N 1 0 474.436 4.179 20 30 JIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897183 721512629 /nfs/dbraw/zinc/51/26/29/721512629.db2.gz FFIXMZOAIMPKGT-ZFWWWQNUSA-N 1 0 457.283 4.286 20 30 JIEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909937 721565236 /nfs/dbraw/zinc/56/52/36/721565236.db2.gz VRWBIPCSRPVVAM-AZUAARDMSA-N 1 0 465.916 4.275 20 30 JIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc([C@@H](C#N)c3ccccc3F)nn2)CC1 ZINC001165022648 721841906 /nfs/dbraw/zinc/84/19/06/721841906.db2.gz QXTUJPZIQWGPFZ-NRFANRHFSA-N 1 0 475.568 4.389 20 30 JIEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976312 722159596 /nfs/dbraw/zinc/15/95/96/722159596.db2.gz WSHAMJKAOXUTTP-AOMKIAJQSA-N 1 0 469.923 4.160 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[N@H+]1CC ZINC001359278937 1069318247 /nfs/dbraw/zinc/31/82/47/1069318247.db2.gz MBDOIWDWXRBURT-QGZVFWFLSA-N 1 0 482.854 4.484 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359279177 1069318890 /nfs/dbraw/zinc/31/88/90/1069318890.db2.gz WNMGUCLXQFEZAO-IBGZPJMESA-N 1 0 476.463 4.467 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300648859 1069327684 /nfs/dbraw/zinc/32/76/84/1069327684.db2.gz PTISLBWLYRJSBI-SFTDATJTSA-N 1 0 475.616 4.271 20 30 JIEDRO C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359287041 1069333006 /nfs/dbraw/zinc/33/30/06/1069333006.db2.gz INUQDABHXWJIRS-JOCHJYFZSA-N 1 0 498.647 4.430 20 30 JIEDRO C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001359309652 1069352525 /nfs/dbraw/zinc/35/25/25/1069352525.db2.gz ZQYNDFKWEODCBV-XMMPIXPASA-N 1 0 453.631 4.299 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001300656819 1069353692 /nfs/dbraw/zinc/35/36/92/1069353692.db2.gz OIKRQNGWPZOZAW-NRFANRHFSA-N 1 0 486.458 4.119 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300657616 1069358414 /nfs/dbraw/zinc/35/84/14/1069358414.db2.gz YZAZVBPEFSHNRD-LEWJYISDSA-N 1 0 469.699 4.338 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001359314644 1069361673 /nfs/dbraw/zinc/36/16/73/1069361673.db2.gz FLYASBUASSKTMS-AWRGLXIESA-N 1 0 453.631 4.103 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)[C@@H](C)CC)C1 ZINC001359315169 1069363670 /nfs/dbraw/zinc/36/36/70/1069363670.db2.gz PDEQVJGNINOKEQ-HOTGVXAUSA-N 1 0 468.465 4.281 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)[C@H](C)CC)C1 ZINC001359315170 1069363693 /nfs/dbraw/zinc/36/36/93/1069363693.db2.gz PDEQVJGNINOKEQ-HZPDHXFCSA-N 1 0 468.465 4.281 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)[C@H](C)CC)C1 ZINC001359315168 1069363928 /nfs/dbraw/zinc/36/39/28/1069363928.db2.gz PDEQVJGNINOKEQ-CVEARBPZSA-N 1 0 468.465 4.281 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359315868 1069366307 /nfs/dbraw/zinc/36/63/07/1069366307.db2.gz DBVGDKPRVMBMDN-RTWAWAEBSA-N 1 0 459.038 4.285 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001359316968 1069370450 /nfs/dbraw/zinc/37/04/50/1069370450.db2.gz ZRYWYTXXJCZLQZ-MJGOQNOKSA-N 1 0 492.437 4.360 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359322855 1069374889 /nfs/dbraw/zinc/37/48/89/1069374889.db2.gz DFZIWNBGRULDNM-UXHICEINSA-N 1 0 459.585 4.049 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359323200 1069375521 /nfs/dbraw/zinc/37/55/21/1069375521.db2.gz JTBFKZKKJMOPLP-GMAHTHKFSA-N 1 0 455.622 4.157 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001359325785 1069381340 /nfs/dbraw/zinc/38/13/40/1069381340.db2.gz MXGOOQSQEATHFV-FKBYEOEOSA-N 1 0 488.677 4.006 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359325763 1069381476 /nfs/dbraw/zinc/38/14/76/1069381476.db2.gz MHBQBSPUTHTDBV-QFIPXVFZSA-N 1 0 457.594 4.042 20 30 JIEDRO C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001359337472 1069395336 /nfs/dbraw/zinc/39/53/36/1069395336.db2.gz SXPJCDAOBZEHRZ-VQIMIIECSA-N 1 0 462.461 4.300 20 30 JIEDRO C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001359339114 1069400366 /nfs/dbraw/zinc/40/03/66/1069400366.db2.gz SZWPVBWTCAAKGA-QHCPKHFHSA-N 1 0 469.699 4.463 20 30 JIEDRO C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359344675 1069412077 /nfs/dbraw/zinc/41/20/77/1069412077.db2.gz GDCKYZMEDHDDBT-FYYLOGMGSA-N 1 0 454.688 4.274 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359469105 1069613922 /nfs/dbraw/zinc/61/39/22/1069613922.db2.gz YLDYBUQFAJOIFL-XOBRGWDASA-N 1 0 497.894 4.394 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359470893 1069620458 /nfs/dbraw/zinc/62/04/58/1069620458.db2.gz HQELHLNJBVJIDU-YPAWHYETSA-N 1 0 460.630 4.095 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359476837 1069634714 /nfs/dbraw/zinc/63/47/14/1069634714.db2.gz LYSZTSQHRRPBCJ-GOTSBHOMSA-N 1 0 499.654 4.454 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001359548684 1069856060 /nfs/dbraw/zinc/85/60/60/1069856060.db2.gz LZZMPYZCYKMGDM-RTWAWAEBSA-N 1 0 454.594 4.178 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCCC1 ZINC001359659158 1070263341 /nfs/dbraw/zinc/26/33/41/1070263341.db2.gz QSZJIKXQGLQJJU-RUZDIDTESA-N 1 0 491.684 4.020 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359659573 1070267263 /nfs/dbraw/zinc/26/72/63/1070267263.db2.gz YOVYDTOSWQFVCI-UGKGYDQZSA-N 1 0 489.590 4.010 20 30 JIEDRO CC(C)[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001359663485 1070288779 /nfs/dbraw/zinc/28/87/79/1070288779.db2.gz QDNRSRVVJTVTCL-GOTSBHOMSA-N 1 0 499.704 4.253 20 30 JIEDRO CC(C)c1csc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC[NH+](C)C)C2)n1 ZINC001359669437 1070310406 /nfs/dbraw/zinc/31/04/06/1070310406.db2.gz LXZHYGOWOAICLA-QFIPXVFZSA-N 1 0 493.681 4.359 20 30 JIEDRO CC(C)c1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001359673311 1070322709 /nfs/dbraw/zinc/32/27/09/1070322709.db2.gz WWFBVVXXDFGDIA-UHFFFAOYSA-N 1 0 493.681 4.472 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315621644 1064757217 /nfs/dbraw/zinc/75/72/17/1064757217.db2.gz HMDRWVZLJIXZEN-OAQYLSRUSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001315625276 1064766626 /nfs/dbraw/zinc/76/66/26/1064766626.db2.gz IRVREILTRCCZDH-WOVHNISZSA-N 1 0 468.621 4.078 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001315704623 1064972031 /nfs/dbraw/zinc/97/20/31/1064972031.db2.gz HQHABBZKKMFWFZ-RTBURBONSA-N 1 0 472.609 4.042 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001315706667 1064978632 /nfs/dbraw/zinc/97/86/32/1064978632.db2.gz UOEXEFPUSZUMSD-UHFFFAOYSA-N 1 0 479.654 4.108 20 30 JIEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC[C@H]1C ZINC001315732952 1065031333 /nfs/dbraw/zinc/03/13/33/1065031333.db2.gz DQXPBGDWSVMOLD-LGIRTZQISA-N 1 0 480.657 4.100 20 30 JIEDRO COCC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001315760155 1065069070 /nfs/dbraw/zinc/06/90/70/1065069070.db2.gz ACWGFKQTBOYWRL-UHFFFAOYSA-N 1 0 468.646 4.102 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001316085582 1065737626 /nfs/dbraw/zinc/73/76/26/1065737626.db2.gz BQESGOMKNDLZBW-OAQYLSRUSA-N 1 0 466.655 4.465 20 30 JIEDRO COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001316091425 1065749443 /nfs/dbraw/zinc/74/94/43/1065749443.db2.gz KLEJQTMTJGYYMZ-UHFFFAOYSA-N 1 0 476.625 4.493 20 30 JIEDRO COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001316092386 1065751909 /nfs/dbraw/zinc/75/19/09/1065751909.db2.gz TUCLCDZPXYIWDP-DEOSSOPVSA-N 1 0 476.625 4.492 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316100335 1065767346 /nfs/dbraw/zinc/76/73/46/1065767346.db2.gz NXRRVOZPYKPJHT-OALUTQOASA-N 1 0 489.462 4.194 20 30 JIEDRO CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@H](C)C2)CC[NH+](C)CC1 ZINC001316410000 1066197279 /nfs/dbraw/zinc/19/72/79/1066197279.db2.gz MJRCBSWDKOXXKT-FQEVSTJZSA-N 1 0 468.671 4.183 20 30 JIEDRO Cc1cccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492507016 1066329875 /nfs/dbraw/zinc/32/98/75/1066329875.db2.gz WKEOTLHLKRCGHW-UHFFFAOYSA-N 1 0 455.610 4.402 20 30 JIEDRO C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001336583158 1066441125 /nfs/dbraw/zinc/44/11/25/1066441125.db2.gz NXUAJAXIMSHEOU-FQEVSTJZSA-N 1 0 494.444 4.199 20 30 JIEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCCCCCO)cc1 ZINC001316530701 1066550248 /nfs/dbraw/zinc/55/02/48/1066550248.db2.gz KGXUPAOSLIACDU-UHFFFAOYSA-N 1 0 450.631 4.072 20 30 JIEDRO C#CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001350073822 1066912669 /nfs/dbraw/zinc/91/26/69/1066912669.db2.gz VZPLTGQQVKNJAD-CPJSRVTESA-N 1 0 459.656 4.430 20 30 JIEDRO C#CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001350073825 1066912738 /nfs/dbraw/zinc/91/27/38/1066912738.db2.gz VZPLTGQQVKNJAD-NLFFAJNJSA-N 1 0 459.656 4.430 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300690097 1067035978 /nfs/dbraw/zinc/03/59/78/1067035978.db2.gz BABGHLDQVKQOIH-IBGZPJMESA-N 1 0 475.468 4.128 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001300690408 1067037715 /nfs/dbraw/zinc/03/77/15/1067037715.db2.gz KQZDILCYLIIYEC-QFIPXVFZSA-N 1 0 467.017 4.030 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300716284 1067094163 /nfs/dbraw/zinc/09/41/63/1067094163.db2.gz KHENWVLXDBHBEV-OAQYLSRUSA-N 1 0 497.087 4.219 20 30 JIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1OC ZINC001321654337 1067191780 /nfs/dbraw/zinc/19/17/80/1067191780.db2.gz RYKPAACHIKOCAO-LJQANCHMSA-N 1 0 459.384 4.417 20 30 JIEDRO C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001300743484 1067238763 /nfs/dbraw/zinc/23/87/63/1067238763.db2.gz RNKSDQNIVISMAT-QFIPXVFZSA-N 1 0 497.709 4.421 20 30 JIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1C ZINC001322021146 1067241361 /nfs/dbraw/zinc/24/13/61/1067241361.db2.gz OAQAMIYHVNZSFC-UHFFFAOYSA-N 1 0 456.594 4.393 20 30 JIEDRO C=CCn1c(SCC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001322121972 1067254326 /nfs/dbraw/zinc/25/43/26/1067254326.db2.gz UKQBZEMUXATMAO-HNNXBMFYSA-N 1 0 468.454 4.378 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001300746081 1067254858 /nfs/dbraw/zinc/25/48/58/1067254858.db2.gz OFLUGFZMZGSOOB-LJQANCHMSA-N 1 0 497.068 4.252 20 30 JIEDRO CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352176878 1067306146 /nfs/dbraw/zinc/30/61/46/1067306146.db2.gz SHLBYBRPHKSRTG-DHIUTWEWSA-N 1 0 456.631 4.477 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300788746 1067355639 /nfs/dbraw/zinc/35/56/39/1067355639.db2.gz KVTZFAPNMNLOBJ-WZONZLPQSA-N 1 0 473.463 4.160 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCCC1 ZINC001300789111 1067356851 /nfs/dbraw/zinc/35/68/51/1067356851.db2.gz YSHGFZNKEHLLQR-HSZRJFAPSA-N 1 0 473.463 4.303 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300789274 1067357255 /nfs/dbraw/zinc/35/72/55/1067357255.db2.gz DQDXLOYPZCFCPK-FDDCHVKYSA-N 1 0 456.432 4.432 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300789851 1067358794 /nfs/dbraw/zinc/35/87/94/1067358794.db2.gz AZVIUQVUCYZINK-PBDKAQRYSA-N 1 0 465.642 4.322 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300790068 1067359615 /nfs/dbraw/zinc/35/96/15/1067359615.db2.gz GLYYLMBBIXFXGX-XMERXJNXSA-N 1 0 451.615 4.075 20 30 JIEDRO COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300042123 1067477939 /nfs/dbraw/zinc/47/79/39/1067477939.db2.gz YRTQJGNJIKRKSK-DFBJGRDBSA-N 1 0 470.593 4.059 20 30 JIEDRO Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492582790 1067533133 /nfs/dbraw/zinc/53/31/33/1067533133.db2.gz SZDGJCYMQHGIHK-UZINWLIJSA-N 1 0 452.622 4.377 20 30 JIEDRO N#CCCn1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001356471288 1067759133 /nfs/dbraw/zinc/75/91/33/1067759133.db2.gz ZUKWXBYVPGCISM-UHFFFAOYSA-N 1 0 458.522 4.263 20 30 JIEDRO N#Cc1ccccc1CSCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001352847059 1067763572 /nfs/dbraw/zinc/76/35/72/1067763572.db2.gz RVVIHJHYFUWFIF-IZZNHLLZSA-N 1 0 456.615 4.218 20 30 JIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001352871894 1067777803 /nfs/dbraw/zinc/77/78/03/1067777803.db2.gz IEDUMWJOTKLHBM-UHFFFAOYSA-N 1 0 457.534 4.283 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)Nc2ccccc2)cc1 ZINC000849069640 1067796299 /nfs/dbraw/zinc/79/62/99/1067796299.db2.gz AAMHBEJOWZYIGT-RUZDIDTESA-N 1 0 492.645 4.210 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)Nc2ccccc2)cc1 ZINC000849070037 1067796337 /nfs/dbraw/zinc/79/63/37/1067796337.db2.gz AKGFYUMUCLBVGI-DEOSSOPVSA-N 1 0 455.606 4.455 20 30 JIEDRO CCCCCCCCCCNC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001200209282 1067845453 /nfs/dbraw/zinc/84/54/53/1067845453.db2.gz CNEFCAQSWXLXGL-SGNDLWITSA-N 1 0 460.736 4.468 20 30 JIEDRO CCC[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001357607967 1067876848 /nfs/dbraw/zinc/87/68/48/1067876848.db2.gz KHYWCEUHRRXANC-PKTZIBPZSA-N 1 0 456.631 4.477 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300272260 1068053155 /nfs/dbraw/zinc/05/31/55/1068053155.db2.gz AOKHMPMGLFCTMP-CNNODRBYSA-N 1 0 451.546 4.445 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300277308 1068062168 /nfs/dbraw/zinc/06/21/68/1068062168.db2.gz ZJLYNHUXFJFMPW-JTSKRJEESA-N 1 0 481.442 4.404 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001300286383 1068085720 /nfs/dbraw/zinc/08/57/20/1068085720.db2.gz JDNIYMAGLIOHJU-WMZOPIPTSA-N 1 0 450.414 4.067 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[NH+](C(C)C)C(C)C ZINC001300289827 1068091961 /nfs/dbraw/zinc/09/19/61/1068091961.db2.gz JUPHICBOEMKVHZ-KRWDZBQOSA-N 1 0 462.436 4.293 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001300290084 1068093037 /nfs/dbraw/zinc/09/30/37/1068093037.db2.gz LWPLUOFTNFDLHX-FQEVSTJZSA-N 1 0 474.609 4.162 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300291313 1068096904 /nfs/dbraw/zinc/09/69/04/1068096904.db2.gz CYNSPUKQHLRORF-LJQANCHMSA-N 1 0 486.458 4.201 20 30 JIEDRO 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 ZINC001300298357 1068133316 /nfs/dbraw/zinc/13/33/16/1068133316.db2.gz BLVFQCOHUUSLGL-FCHUYYIVSA-N 1 0 489.668 4.062 20 30 JIEDRO 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 ZINC001300302610 1068144618 /nfs/dbraw/zinc/14/46/18/1068144618.db2.gz CLJGUXRULDLLBP-RJGXRXQPSA-N 1 0 486.705 4.219 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)s2)cc1 ZINC000510241777 1068164639 /nfs/dbraw/zinc/16/46/39/1068164639.db2.gz MSDZSLNAJHSIRP-UHFFFAOYSA-N 1 0 464.620 4.442 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000510244249 1068166382 /nfs/dbraw/zinc/16/63/82/1068166382.db2.gz UCKFMPIHYOLCQY-UHFFFAOYSA-N 1 0 477.619 4.169 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001300317131 1068215348 /nfs/dbraw/zinc/21/53/48/1068215348.db2.gz KPFXBRAIPMUXQV-QNWVGRARSA-N 1 0 488.602 4.394 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300330238 1068268416 /nfs/dbraw/zinc/26/84/16/1068268416.db2.gz WOYGPLIHPXCWBZ-IHPCNDPISA-N 1 0 472.659 4.172 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@H](C)[NH+](C)C)c1 ZINC001300330506 1068271427 /nfs/dbraw/zinc/27/14/27/1068271427.db2.gz BODRZRRIVXGJTG-OALUTQOASA-N 1 0 490.677 4.138 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001300331326 1068275202 /nfs/dbraw/zinc/27/52/02/1068275202.db2.gz IVYBKYSZASMTHG-UHFFFAOYSA-N 1 0 494.043 4.169 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300332477 1068283027 /nfs/dbraw/zinc/28/30/27/1068283027.db2.gz HKYURLVXTDKPPW-SFTDATJTSA-N 1 0 476.669 4.358 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300334182 1068299402 /nfs/dbraw/zinc/29/94/02/1068299402.db2.gz IGEYICVWQBWVEN-RTWAWAEBSA-N 1 0 464.658 4.043 20 30 JIEDRO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C#N)[NH+]2CCCC2)c1 ZINC001300334929 1068304304 /nfs/dbraw/zinc/30/43/04/1068304304.db2.gz KWSNELPEGIOZMK-CYFREDJKSA-N 1 0 459.598 4.090 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001300337313 1068313603 /nfs/dbraw/zinc/31/36/03/1068313603.db2.gz YYBSTZHHMDKIID-RUZDIDTESA-N 1 0 490.696 4.435 20 30 JIEDRO C#CCCCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001300341765 1068329650 /nfs/dbraw/zinc/32/96/50/1068329650.db2.gz LAFZNMUHFCSLSF-QFIPXVFZSA-N 1 0 460.626 4.152 20 30 JIEDRO C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001300342195 1068331012 /nfs/dbraw/zinc/33/10/12/1068331012.db2.gz QTFKGIZIHWSXSV-FCHUYYIVSA-N 1 0 451.615 4.295 20 30 JIEDRO C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001300347461 1068348547 /nfs/dbraw/zinc/34/85/47/1068348547.db2.gz ADOQPCLFWBGVGD-UHFFFAOYSA-N 1 0 465.642 4.468 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001358880607 1068379236 /nfs/dbraw/zinc/37/92/36/1068379236.db2.gz PHUVSPQVEAKITD-WMZOPIPTSA-N 1 0 460.420 4.049 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358889299 1068387086 /nfs/dbraw/zinc/38/70/86/1068387086.db2.gz ZXNBPYHIWLWHHH-VWNXMTODSA-N 1 0 494.684 4.373 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358899896 1068397711 /nfs/dbraw/zinc/39/77/11/1068397711.db2.gz XFEUYUSKFNCDBG-PMACEKPBSA-N 1 0 465.623 4.222 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001358901513 1068400326 /nfs/dbraw/zinc/40/03/26/1068400326.db2.gz NHMVJYCZQLUISE-SFTDATJTSA-N 1 0 487.652 4.086 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001358903404 1068407926 /nfs/dbraw/zinc/40/79/26/1068407926.db2.gz VQMUSUIPLLVWQF-RUZDIDTESA-N 1 0 476.669 4.187 20 30 JIEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001300371107 1068424420 /nfs/dbraw/zinc/42/44/20/1068424420.db2.gz NDAASRVIORMSBL-AZGAKELHSA-N 1 0 462.686 4.461 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001358923811 1068466514 /nfs/dbraw/zinc/46/65/14/1068466514.db2.gz BTCLGNSVUKXNSL-BGYRXZFFSA-N 1 0 486.060 4.346 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001358924199 1068467848 /nfs/dbraw/zinc/46/78/48/1068467848.db2.gz PCBPEVYSKSKULY-UHFFFAOYSA-N 1 0 455.050 4.007 20 30 JIEDRO C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358948009 1068500940 /nfs/dbraw/zinc/50/09/40/1068500940.db2.gz RGGQYVXNBLTDQO-XMMPIXPASA-N 1 0 492.668 4.106 20 30 JIEDRO C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001300391359 1068510603 /nfs/dbraw/zinc/51/06/03/1068510603.db2.gz NJHKQOLZGQDJTI-GOSISDBHSA-N 1 0 486.458 4.440 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358971435 1068513516 /nfs/dbraw/zinc/51/35/16/1068513516.db2.gz VNJHIVODNVOFLO-SZPZYZBQSA-N 1 0 454.622 4.243 20 30 JIEDRO C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001300393432 1068517709 /nfs/dbraw/zinc/51/77/09/1068517709.db2.gz ILRUDFUVCQAMBB-LJQANCHMSA-N 1 0 486.458 4.119 20 30 JIEDRO C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300394793 1068527160 /nfs/dbraw/zinc/52/71/60/1068527160.db2.gz WUXANHUGDFHYJA-QFIPXVFZSA-N 1 0 451.615 4.219 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358986440 1068537264 /nfs/dbraw/zinc/53/72/64/1068537264.db2.gz WVEPGDRFSUIMFG-VWLOTQADSA-N 1 0 489.664 4.143 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001358990242 1068553006 /nfs/dbraw/zinc/55/30/06/1068553006.db2.gz HCTPGFHHCDESCJ-HXUWFJFHSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001358996703 1068561617 /nfs/dbraw/zinc/56/16/17/1068561617.db2.gz OTSSLDNBNHYPRR-DEOSSOPVSA-N 1 0 457.647 4.425 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001358997053 1068561691 /nfs/dbraw/zinc/56/16/91/1068561691.db2.gz CAUIFWUTEHWMOA-OAQYLSRUSA-N 1 0 498.469 4.203 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358997616 1068563438 /nfs/dbraw/zinc/56/34/38/1068563438.db2.gz YWFHFEVYNVWMAS-UHFFFAOYSA-N 1 0 491.705 4.298 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001358997920 1068564644 /nfs/dbraw/zinc/56/46/44/1068564644.db2.gz JTOSBUHHDZPZSZ-RUZDIDTESA-N 1 0 471.605 4.449 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001358998953 1068569572 /nfs/dbraw/zinc/56/95/72/1068569572.db2.gz YCFKESSDKOGMBY-AOHZBQACSA-N 1 0 463.626 4.090 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC[NH+]1CCN(CC)CC1 ZINC001359003619 1068578646 /nfs/dbraw/zinc/57/86/46/1068578646.db2.gz RHRZTYGQWUWVTD-NRFANRHFSA-N 1 0 468.715 4.009 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359009116 1068583885 /nfs/dbraw/zinc/58/38/85/1068583885.db2.gz IPIYCHPSEXJLSD-GMAHTHKFSA-N 1 0 498.647 4.294 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359014085 1068590458 /nfs/dbraw/zinc/59/04/58/1068590458.db2.gz WTUJOWUMKMBMKM-QGZVFWFLSA-N 1 0 450.414 4.355 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001359016343 1068598840 /nfs/dbraw/zinc/59/88/40/1068598840.db2.gz ZKUYWYGYIQLJTD-KRWDZBQOSA-N 1 0 452.965 4.255 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359016271 1068598926 /nfs/dbraw/zinc/59/89/26/1068598926.db2.gz WAIQEAFYFDMAOD-YWEHKCAJSA-N 1 0 497.659 4.218 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001359017323 1068601186 /nfs/dbraw/zinc/60/11/86/1068601186.db2.gz AAPWLFNTTODLKV-VWLOTQADSA-N 1 0 460.601 4.307 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359017781 1068604865 /nfs/dbraw/zinc/60/48/65/1068604865.db2.gz RHUWGCZWCIJKKC-NFBKMPQASA-N 1 0 453.606 4.419 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359017870 1068606041 /nfs/dbraw/zinc/60/60/41/1068606041.db2.gz USWZAQQFASUEAK-YADHBBJMSA-N 1 0 460.601 4.163 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc32)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359019058 1068609915 /nfs/dbraw/zinc/60/99/15/1068609915.db2.gz JDYBQWPREJUFAW-UHFFFAOYSA-N 1 0 460.626 4.010 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359020669 1068618965 /nfs/dbraw/zinc/61/89/65/1068618965.db2.gz MBDAYIQWGMFQLF-DVECYGJZSA-N 1 0 488.474 4.304 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359021389 1068622510 /nfs/dbraw/zinc/62/25/10/1068622510.db2.gz NFMXJJDCGLOXIL-NRFANRHFSA-N 1 0 460.626 4.090 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359029874 1068634529 /nfs/dbraw/zinc/63/45/29/1068634529.db2.gz JLVLIFAVVTXXCX-VWLOTQADSA-N 1 0 492.712 4.445 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001359032695 1068647163 /nfs/dbraw/zinc/64/71/63/1068647163.db2.gz ZBORQJHOWZSOSR-GOTSBHOMSA-N 1 0 462.686 4.019 20 30 JIEDRO C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359050542 1068674688 /nfs/dbraw/zinc/67/46/88/1068674688.db2.gz UJHXDHNMPXHXPM-GOSISDBHSA-N 1 0 476.488 4.242 20 30 JIEDRO C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359050932 1068675158 /nfs/dbraw/zinc/67/51/58/1068675158.db2.gz HPPQEVNBZGQCTB-SFHVURJKSA-N 1 0 475.609 4.224 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001353930196 1068763665 /nfs/dbraw/zinc/76/36/65/1068763665.db2.gz RFUZQZJXMDSBLH-UHFFFAOYSA-N 1 0 456.468 4.252 20 30 JIEDRO Cc1cccc(CNC(=O)c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)c1 ZINC001353929791 1068763720 /nfs/dbraw/zinc/76/37/20/1068763720.db2.gz JVVDMAXQUMSFQM-UHFFFAOYSA-N 1 0 454.574 4.001 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359089490 1068780055 /nfs/dbraw/zinc/78/00/55/1068780055.db2.gz JZTCGTLKZSQHPY-XMTFNYHQSA-N 1 0 454.457 4.024 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001300457500 1068781596 /nfs/dbraw/zinc/78/15/96/1068781596.db2.gz FLHLMRWFYAWUKN-LEWJYISDSA-N 1 0 498.697 4.361 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359094536 1068797694 /nfs/dbraw/zinc/79/76/94/1068797694.db2.gz CAEFWQNRNOHTMX-TZIWHRDSSA-N 1 0 459.038 4.285 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001359097331 1068802577 /nfs/dbraw/zinc/80/25/77/1068802577.db2.gz NSKXKJCGNQHWBC-BJKOFHAPSA-N 1 0 452.647 4.270 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359103593 1068810086 /nfs/dbraw/zinc/81/00/86/1068810086.db2.gz QGJATIYZBJVXJI-VUMQFKOGSA-N 1 0 467.658 4.374 20 30 JIEDRO C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359106359 1068816671 /nfs/dbraw/zinc/81/66/71/1068816671.db2.gz BHLHRSJKTSYIML-UHFFFAOYSA-N 1 0 482.673 4.439 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359112034 1068821896 /nfs/dbraw/zinc/82/18/96/1068821896.db2.gz WQEOTGRYVMAHCI-FGZHOGPDSA-N 1 0 491.684 4.445 20 30 JIEDRO C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001359117085 1068826674 /nfs/dbraw/zinc/82/66/74/1068826674.db2.gz CQJFZPQXRNCXCZ-JTHBVZDNSA-N 1 0 487.092 4.481 20 30 JIEDRO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001359122740 1068833877 /nfs/dbraw/zinc/83/38/77/1068833877.db2.gz SWMLJYLXSOHSTE-NHCUHLMSSA-N 1 0 457.066 4.093 20 30 JIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359124255 1068834719 /nfs/dbraw/zinc/83/47/19/1068834719.db2.gz SEXMQCJBDGJICR-UHFFFAOYSA-N 1 0 480.440 4.289 20 30 JIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001359124356 1068835004 /nfs/dbraw/zinc/83/50/04/1068835004.db2.gz YNZUYFUUPDVLKH-HSZRJFAPSA-N 1 0 466.674 4.081 20 30 JIEDRO C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001359128271 1068839168 /nfs/dbraw/zinc/83/91/68/1068839168.db2.gz OYPPEXIAXJODIZ-JOCHJYFZSA-N 1 0 482.629 4.394 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001359136919 1068846974 /nfs/dbraw/zinc/84/69/74/1068846974.db2.gz YYHWVWREYJKCHG-IEBWSBKVSA-N 1 0 480.440 4.430 20 30 JIEDRO C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001359143949 1068854394 /nfs/dbraw/zinc/85/43/94/1068854394.db2.gz SEURMHNRAJDIQS-UHFFFAOYSA-N 1 0 497.869 4.117 20 30 JIEDRO C=C(Cl)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359157180 1068868811 /nfs/dbraw/zinc/86/88/11/1068868811.db2.gz AXVBSPKAAABOEB-QRQLOZEOSA-N 1 0 479.069 4.112 20 30 JIEDRO C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359165238 1068875664 /nfs/dbraw/zinc/87/56/64/1068875664.db2.gz LAKSBSPWCIYUTR-FGZHOGPDSA-N 1 0 472.678 4.281 20 30 JIEDRO C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001359165437 1068876268 /nfs/dbraw/zinc/87/62/68/1068876268.db2.gz OWBQXUNMZFOTNG-QFIPXVFZSA-N 1 0 472.678 4.423 20 30 JIEDRO C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001359166509 1068876680 /nfs/dbraw/zinc/87/66/80/1068876680.db2.gz VRUNCHYELAHRNJ-OALUTQOASA-N 1 0 459.585 4.191 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001359168115 1068878230 /nfs/dbraw/zinc/87/82/30/1068878230.db2.gz IKMQUVUYHGQAMD-SFHVURJKSA-N 1 0 460.420 4.118 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001300509510 1068884732 /nfs/dbraw/zinc/88/47/32/1068884732.db2.gz NPBFYCHWVNGTJQ-WOJBJXKFSA-N 1 0 454.018 4.244 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359175907 1068889265 /nfs/dbraw/zinc/88/92/65/1068889265.db2.gz FRPCGHKEGDCCRR-BGYRXZFFSA-N 1 0 483.657 4.253 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001300512392 1068892018 /nfs/dbraw/zinc/89/20/18/1068892018.db2.gz PKWSIRVXPXEGFX-SANMLTNESA-N 1 0 473.665 4.176 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCCCC1 ZINC001300515892 1068898628 /nfs/dbraw/zinc/89/86/28/1068898628.db2.gz CJJBFMVHLIDIIP-UHFFFAOYSA-N 1 0 474.834 4.310 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001300517083 1068901063 /nfs/dbraw/zinc/90/10/63/1068901063.db2.gz XAJKKBNCGYVICV-SFHVURJKSA-N 1 0 468.424 4.145 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001359185031 1068916109 /nfs/dbraw/zinc/91/61/09/1068916109.db2.gz JIKOIMFGZJUCBU-NHCUHLMSSA-N 1 0 454.663 4.444 20 30 JIEDRO C=CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001359191426 1068935282 /nfs/dbraw/zinc/93/52/82/1068935282.db2.gz YWUJHOYSPMXOLD-UKILVPOCSA-N 1 0 480.701 4.249 20 30 JIEDRO C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001359218561 1069003452 /nfs/dbraw/zinc/00/34/52/1069003452.db2.gz NCRNARNDOIHPFX-NDEPHWFRSA-N 1 0 480.701 4.250 20 30 JIEDRO C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359220876 1069009113 /nfs/dbraw/zinc/00/91/13/1069009113.db2.gz LYJFRPIRWBIXQX-UHFFFAOYSA-N 1 0 455.672 4.394 20 30 JIEDRO C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359226189 1069020988 /nfs/dbraw/zinc/02/09/88/1069020988.db2.gz YRLBPUWBHKYMQJ-VQTJNVASSA-N 1 0 450.587 4.112 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300561301 1069032461 /nfs/dbraw/zinc/03/24/61/1069032461.db2.gz NFVKPOIXNOJCLG-RBUKOAKNSA-N 1 0 486.433 4.430 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001359235242 1069033919 /nfs/dbraw/zinc/03/39/19/1069033919.db2.gz SEXWGMHQQBTIGR-HXUWFJFHSA-N 1 0 452.990 4.461 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300569843 1069073218 /nfs/dbraw/zinc/07/32/18/1069073218.db2.gz UNVYKDPKFNTTIL-FQEVSTJZSA-N 1 0 496.409 4.075 20 30 JIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849516091 1069101606 /nfs/dbraw/zinc/10/16/06/1069101606.db2.gz GQPKDDGYADNKBN-RTWAWAEBSA-N 1 0 477.422 4.350 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300580706 1069115637 /nfs/dbraw/zinc/11/56/37/1069115637.db2.gz FVTRAOUAZYYWIZ-ZEQRLZLVSA-N 1 0 496.700 4.120 20 30 JIEDRO C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001300602234 1069189628 /nfs/dbraw/zinc/18/96/28/1069189628.db2.gz AYJKRUAIMYHILU-SFHVURJKSA-N 1 0 471.074 4.299 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300604915 1069196448 /nfs/dbraw/zinc/19/64/48/1069196448.db2.gz QHQXRUXPODGXRS-QGZVFWFLSA-N 1 0 462.411 4.428 20 30 JIEDRO C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001359253725 1069207529 /nfs/dbraw/zinc/20/75/29/1069207529.db2.gz RJVWXZWDAVAJPJ-BGYRXZFFSA-N 1 0 472.678 4.468 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300609153 1069209070 /nfs/dbraw/zinc/20/90/70/1069209070.db2.gz KRZLTPMQIBUVBI-QGZVFWFLSA-N 1 0 462.411 4.428 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359254696 1069225847 /nfs/dbraw/zinc/22/58/47/1069225847.db2.gz ABQVISTZEPODBW-VWNXMTODSA-N 1 0 467.658 4.494 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359256327 1069248665 /nfs/dbraw/zinc/24/86/65/1069248665.db2.gz CDPYRYPNRRNRLY-VXKWHMMOSA-N 1 0 462.623 4.211 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359257826 1069259795 /nfs/dbraw/zinc/25/97/95/1069259795.db2.gz XDICSHZDVWWTTC-RUZDIDTESA-N 1 0 486.668 4.324 20 30 JIEDRO COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300626678 1069260889 /nfs/dbraw/zinc/26/08/89/1069260889.db2.gz BULNSZVQOUMJSR-HBMCJLEFSA-N 1 0 468.646 4.218 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359261296 1069283598 /nfs/dbraw/zinc/28/35/98/1069283598.db2.gz CZROMTMPNIRIQI-NTKDMRAZSA-N 1 0 458.676 4.181 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001359265478 1069300191 /nfs/dbraw/zinc/30/01/91/1069300191.db2.gz GQGJBCUJMMUXLY-UPVQGACJSA-N 1 0 466.674 4.114 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001359268730 1069306863 /nfs/dbraw/zinc/30/68/63/1069306863.db2.gz ARYZXNFYRIIAMM-KRWDZBQOSA-N 1 0 472.431 4.379 20 30 JIEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164835869 720566426 /nfs/dbraw/zinc/56/64/26/720566426.db2.gz ISOGZXGJSUTYOG-QNWVGRARSA-N 1 0 473.650 4.311 20 30 JIEDRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164755272 720872866 /nfs/dbraw/zinc/87/28/66/720872866.db2.gz VQVWAYGLFHADRW-BWKNWUBXSA-N 1 0 452.002 4.065 20 30 JIEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755501 720874985 /nfs/dbraw/zinc/87/49/85/720874985.db2.gz YAKSTBOVRUCRMY-RDPSFJRHSA-N 1 0 487.982 4.302 20 30 JIEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)CC[C@@H]2C1 ZINC001164854879 720889549 /nfs/dbraw/zinc/88/95/49/720889549.db2.gz FTIJMJIYAATJMQ-SQHAQQRYSA-N 1 0 468.601 4.461 20 30 JIEDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)CC[C@@H]2C1 ZINC001164856667 720893656 /nfs/dbraw/zinc/89/36/56/720893656.db2.gz GDUMWKDSINJFJU-AUUYWEPGSA-N 1 0 485.362 4.132 20 30 JIEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753250 720897418 /nfs/dbraw/zinc/89/74/18/720897418.db2.gz GHALQJCGLRATKF-XCZPVHLTSA-N 1 0 474.725 4.461 20 30 JIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751745 720899179 /nfs/dbraw/zinc/89/91/79/720899179.db2.gz DGGWGMKIDUWLSP-URXFXBBRSA-N 1 0 487.982 4.302 20 30 JIEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)cc1C#N ZINC001164754270 720935781 /nfs/dbraw/zinc/93/57/81/720935781.db2.gz VSERCPKDGSRLLG-RDGATRHJSA-N 1 0 452.002 4.065 20 30 JIEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)CC2 ZINC001164754443 720969618 /nfs/dbraw/zinc/96/96/18/720969618.db2.gz RGCRSWSHYLRCDG-UHFFFAOYSA-N 1 0 492.583 4.129 20 30 JIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164871443 721192784 /nfs/dbraw/zinc/19/27/84/721192784.db2.gz ZRDJWXDHEXBJPU-RTWAWAEBSA-N 1 0 496.949 4.088 20 30 JIEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867894 721197593 /nfs/dbraw/zinc/19/75/93/721197593.db2.gz JBLLFYRLURUBGH-IAGOWNOFSA-N 1 0 454.361 4.288 20 30 JIEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791342 721493140 /nfs/dbraw/zinc/49/31/40/721493140.db2.gz AXGAGTOXVYWNEO-UHFFFAOYSA-N 1 0 453.974 4.059 20 30 JIEDRO N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)cc1 ZINC001164905434 721556286 /nfs/dbraw/zinc/55/62/86/721556286.db2.gz HMFCVAYNAJVASI-BVAGGSTKSA-N 1 0 458.537 4.208 20 30 JIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc([C@H](C#N)c3ccccc3F)nn2)CC1 ZINC001165022651 721841956 /nfs/dbraw/zinc/84/19/56/721841956.db2.gz QXTUJPZIQWGPFZ-OAQYLSRUSA-N 1 0 475.568 4.389 20 30 JIEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001359274413 1069311389 /nfs/dbraw/zinc/31/13/89/1069311389.db2.gz MKYKMJGYQSWUSF-RTWAWAEBSA-N 1 0 458.651 4.403 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001300643026 1069312311 /nfs/dbraw/zinc/31/23/11/1069312311.db2.gz GBKYNQHKGMCVNF-VXKWHMMOSA-N 1 0 484.620 4.252 20 30 JIEDRO C#CCN(CC)c1nnc(CSc2ccccc2OC)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001300643529 1069313232 /nfs/dbraw/zinc/31/32/32/1069313232.db2.gz KMGZEDDMNIRXJX-UHFFFAOYSA-N 1 0 476.650 4.390 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300643555 1069313382 /nfs/dbraw/zinc/31/33/82/1069313382.db2.gz LDQPWVOCARMSSY-SFTDATJTSA-N 1 0 458.651 4.074 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300643473 1069313419 /nfs/dbraw/zinc/31/34/19/1069313419.db2.gz JNBSTXRJCFVBDK-UHFFFAOYSA-N 1 0 483.682 4.077 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359279201 1069319479 /nfs/dbraw/zinc/31/94/79/1069319479.db2.gz WZZHBEKNUGZEPQ-HOYKHHGWSA-N 1 0 475.728 4.208 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300648326 1069325509 /nfs/dbraw/zinc/32/55/09/1069325509.db2.gz FOOQQVWSUZGOCL-TZRRMPRUSA-N 1 0 467.633 4.316 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001300649180 1069327913 /nfs/dbraw/zinc/32/79/13/1069327913.db2.gz LQLSEDUKZHHWKX-DKXQDJALSA-N 1 0 498.647 4.168 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300649605 1069329548 /nfs/dbraw/zinc/32/95/48/1069329548.db2.gz NXKUWDNYCJHLJI-NHCUHLMSSA-N 1 0 455.622 4.350 20 30 JIEDRO C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359286921 1069332123 /nfs/dbraw/zinc/33/21/23/1069332123.db2.gz AWYFOUFBUBYUTI-FQEVSTJZSA-N 1 0 458.651 4.033 20 30 JIEDRO C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001359308556 1069350079 /nfs/dbraw/zinc/35/00/79/1069350079.db2.gz RGNKQUASJDAEPP-HSZRJFAPSA-N 1 0 467.658 4.028 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001359312811 1069357328 /nfs/dbraw/zinc/35/73/28/1069357328.db2.gz BKYPXZSQHRZDPD-XZOQPEGZSA-N 1 0 451.615 4.078 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359323198 1069375329 /nfs/dbraw/zinc/37/53/29/1069375329.db2.gz JTBFKZKKJMOPLP-FYYLOGMGSA-N 1 0 455.622 4.157 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359324708 1069379002 /nfs/dbraw/zinc/37/90/02/1069379002.db2.gz QUWIQXDDDCNUNB-RPWUZVMVSA-N 1 0 467.658 4.376 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359325359 1069380822 /nfs/dbraw/zinc/38/08/22/1069380822.db2.gz CYMWBZFQRLQRPJ-QFIPXVFZSA-N 1 0 474.049 4.414 20 30 JIEDRO C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001359341378 1069404943 /nfs/dbraw/zinc/40/49/43/1069404943.db2.gz VKNNEGDJDJTQIV-REWPJTCUSA-N 1 0 465.671 4.087 20 30 JIEDRO C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359345417 1069414000 /nfs/dbraw/zinc/41/40/00/1069414000.db2.gz FMQYCKPBJIZTJI-FQEVSTJZSA-N 1 0 462.063 4.494 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@H+](C)C1CCCC1 ZINC001359468633 1069611293 /nfs/dbraw/zinc/61/12/93/1069611293.db2.gz OLVFTOJCLXXDAG-OAHLLOKOSA-N 1 0 463.399 4.317 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359470891 1069620043 /nfs/dbraw/zinc/62/00/43/1069620043.db2.gz HQELHLNJBVJIDU-BHIFYINESA-N 1 0 460.630 4.095 20 30 JIEDRO CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001359473164 1069622796 /nfs/dbraw/zinc/62/27/96/1069622796.db2.gz XPXLCZRDZNDIJA-FQEVSTJZSA-N 1 0 490.656 4.096 20 30 JIEDRO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N)[N@@H+]1CCC[C@H](C)C1 ZINC001359477097 1069637173 /nfs/dbraw/zinc/63/71/73/1069637173.db2.gz QVFJRUJBAKWREB-IPMKNSEASA-N 1 0 489.462 4.336 20 30 JIEDRO 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 1069639870 /nfs/dbraw/zinc/63/98/70/1069639870.db2.gz DCCUMZDSTDQIMW-MZURWIMNSA-N 1 0 464.658 4.457 20 30 JIEDRO CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001359598710 1070055517 /nfs/dbraw/zinc/05/55/17/1070055517.db2.gz KTDIQRHYDSGQEH-HSZRJFAPSA-N 1 0 480.657 4.005 20 30 JIEDRO CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001359599445 1070057276 /nfs/dbraw/zinc/05/72/76/1070057276.db2.gz MDJVKTMCOUEQGD-QFIPXVFZSA-N 1 0 450.631 4.070 20 30 JIEDRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC(C)(C#N)CC2)[NH+]2CCCC2)c1 ZINC001315546563 1064554159 /nfs/dbraw/zinc/55/41/59/1064554159.db2.gz IIESSYPILFELDX-HSZRJFAPSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)[NH+]2CCCC2)c1 ZINC001315547380 1064556912 /nfs/dbraw/zinc/55/69/12/1064556912.db2.gz QBQBYUGJWYSTOE-BVAGGSTKSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001315654014 1064840325 /nfs/dbraw/zinc/84/03/25/1064840325.db2.gz CMJLEXOGQYEMJQ-RLWLMLJZSA-N 1 0 466.630 4.260 20 30 JIEDRO CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315689368 1064943518 /nfs/dbraw/zinc/94/35/18/1064943518.db2.gz FEJZLQRVPTVJPJ-VWNXMTODSA-N 1 0 480.657 4.102 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001315704680 1064972590 /nfs/dbraw/zinc/97/25/90/1064972590.db2.gz JMZKVNCNGLMCFU-HXUWFJFHSA-N 1 0 475.641 4.430 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001315706669 1064978696 /nfs/dbraw/zinc/97/86/96/1064978696.db2.gz UPBVYJUXVBJHLY-LJQANCHMSA-N 1 0 484.620 4.187 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(-c4cccc(C#N)c4)nnc3N(C)CC(C)C)CCCC2)CC1 ZINC001315709639 1064985829 /nfs/dbraw/zinc/98/58/29/1064985829.db2.gz OFNOBZXEDYJFEZ-UHFFFAOYSA-N 1 0 450.631 4.333 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC[C@H]1C ZINC001315718445 1065011380 /nfs/dbraw/zinc/01/13/80/1065011380.db2.gz OWRVSZJYNUYWCR-VEXUSMLFSA-N 1 0 450.631 4.188 20 30 JIEDRO COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001315885782 1065333344 /nfs/dbraw/zinc/33/33/44/1065333344.db2.gz PDMCGUTVDKPBNE-QFIPXVFZSA-N 1 0 450.631 4.334 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001315885805 1065333500 /nfs/dbraw/zinc/33/35/00/1065333500.db2.gz PJTHSNOTCFJJRH-IFMALSPDSA-N 1 0 464.639 4.434 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316099612 1065765660 /nfs/dbraw/zinc/76/56/60/1065765660.db2.gz IJEWBZXZXZOUHK-UHFFFAOYSA-N 1 0 480.016 4.317 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316275105 1066026276 /nfs/dbraw/zinc/02/62/76/1066026276.db2.gz WVSMFJCJVZLODM-LFBFJMOVSA-N 1 0 480.657 4.043 20 30 JIEDRO CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316410002 1066197232 /nfs/dbraw/zinc/19/72/32/1066197232.db2.gz MJRCBSWDKOXXKT-HXUWFJFHSA-N 1 0 468.671 4.183 20 30 JIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H]4CC(=O)N(c5ccc(C#N)cc5)C4)cc3)CC2)c1 ZINC001337979053 1066522400 /nfs/dbraw/zinc/52/24/00/1066522400.db2.gz KCEVCCULNOXIEX-VWLOTQADSA-N 1 0 493.611 4.181 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001316529525 1066548171 /nfs/dbraw/zinc/54/81/71/1066548171.db2.gz PFYQYXSRQNYAOR-OAQYLSRUSA-N 1 0 476.547 4.240 20 30 JIEDRO CCc1cccc[n+]1C(C(=O)C1C=CC(=NC(=O)C(C)(C)C)C=C1)C(=S)NC1CCOCC1 ZINC001338431791 1066555370 /nfs/dbraw/zinc/55/53/70/1066555370.db2.gz XVBKSZRLNTUKID-UHFFFAOYSA-O 1 0 468.643 4.313 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300682381 1067017550 /nfs/dbraw/zinc/01/75/50/1067017550.db2.gz GYCOCFDABIBPCN-TZRRMPRUSA-N 1 0 496.675 4.071 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001300683732 1067021155 /nfs/dbraw/zinc/02/11/55/1067021155.db2.gz RZSZEUTUZRVCAR-JOCHJYFZSA-N 1 0 487.092 4.174 20 30 JIEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300701266 1067061241 /nfs/dbraw/zinc/06/12/41/1067061241.db2.gz MPIKWODCLWNQJL-DHIUTWEWSA-N 1 0 483.104 4.036 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001300707008 1067074813 /nfs/dbraw/zinc/07/48/13/1067074813.db2.gz ANDULCTXKXDFKE-RUZDIDTESA-N 1 0 492.712 4.030 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001300746080 1067255109 /nfs/dbraw/zinc/25/51/09/1067255109.db2.gz OFLUGFZMZGSOOB-IBGZPJMESA-N 1 0 497.068 4.252 20 30 JIEDRO Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)nn1-c1cccc(C#N)c1 ZINC001352212117 1067311013 /nfs/dbraw/zinc/31/10/13/1067311013.db2.gz DTGKHKZROCQBKH-UHFFFAOYSA-N 1 0 456.550 4.119 20 30 JIEDRO C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001300768354 1067313726 /nfs/dbraw/zinc/31/37/26/1067313726.db2.gz PSTWLJBQNZIZHN-IRLDBZIGSA-N 1 0 488.101 4.291 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(C#N)CC2)CC1 ZINC001300786133 1067348532 /nfs/dbraw/zinc/34/85/32/1067348532.db2.gz KVQOKBRCCFYZJX-UHFFFAOYSA-N 1 0 480.657 4.103 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300790138 1067359900 /nfs/dbraw/zinc/35/99/00/1067359900.db2.gz JMFAGSBPTBOMBR-QDPGVEIFSA-N 1 0 495.668 4.090 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300031268 1067421626 /nfs/dbraw/zinc/42/16/26/1067421626.db2.gz XZLJCBFSDYVNTO-JOCHJYFZSA-N 1 0 466.630 4.213 20 30 JIEDRO C=CCNC(=S)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1c(Br)cccc1OC ZINC001200302791 1068023061 /nfs/dbraw/zinc/02/30/61/1068023061.db2.gz NXBHGVWHYXVYAZ-IEBWSBKVSA-N 1 0 460.441 4.076 20 30 JIEDRO C=CCNC(=S)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1c(Br)cccc1OC ZINC001200302788 1068023129 /nfs/dbraw/zinc/02/31/29/1068023129.db2.gz NXBHGVWHYXVYAZ-HKUYNNGSSA-N 1 0 460.441 4.076 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300270496 1068049363 /nfs/dbraw/zinc/04/93/63/1068049363.db2.gz GFQQLOBXGOQQLK-SFTDATJTSA-N 1 0 480.657 4.362 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300275222 1068058358 /nfs/dbraw/zinc/05/83/58/1068058358.db2.gz RVOLQPRMRUVLTA-GMAHTHKFSA-N 1 0 465.642 4.138 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300276346 1068059665 /nfs/dbraw/zinc/05/96/65/1068059665.db2.gz LHERWODGGNJYEH-FHWLQOOXSA-N 1 0 475.479 4.262 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300277061 1068061242 /nfs/dbraw/zinc/06/12/42/1068061242.db2.gz WBRARNAHHWJQIL-UFYCRDLUSA-N 1 0 483.657 4.185 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300277002 1068061311 /nfs/dbraw/zinc/06/13/11/1068061311.db2.gz UUIGPHAZQZVDMS-SFHVURJKSA-N 1 0 475.479 4.262 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300277537 1068062653 /nfs/dbraw/zinc/06/26/53/1068062653.db2.gz KQHRGRLLBDGVLU-QHCPKHFHSA-N 1 0 480.638 4.360 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300285313 1068083736 /nfs/dbraw/zinc/08/37/36/1068083736.db2.gz UCDNKBAYBIFXAA-AJTFRIOCSA-N 1 0 480.657 4.364 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300286913 1068087026 /nfs/dbraw/zinc/08/70/26/1068087026.db2.gz PRQROIPAHVWSCB-LJQANCHMSA-N 1 0 486.060 4.489 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001300291120 1068096095 /nfs/dbraw/zinc/09/60/95/1068096095.db2.gz CBOOOTUUOUFEEM-HYBUGGRVSA-N 1 0 460.626 4.088 20 30 JIEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)cc1 ZINC000510245873 1068166433 /nfs/dbraw/zinc/16/64/33/1068166433.db2.gz XPOPIDFJRDTFKK-UHFFFAOYSA-N 1 0 494.646 4.450 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001300316677 1068212995 /nfs/dbraw/zinc/21/29/95/1068212995.db2.gz BKMUJVMAAKCZIJ-GOTSBHOMSA-N 1 0 484.639 4.316 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001300327353 1068257244 /nfs/dbraw/zinc/25/72/44/1068257244.db2.gz BUAMDFJVHYIMHH-OUJCMCIWSA-N 1 0 494.684 4.372 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001300327327 1068257424 /nfs/dbraw/zinc/25/74/24/1068257424.db2.gz BPQCFKAMWVLMFY-BVYCBKJFSA-N 1 0 484.620 4.250 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCCC[C@@H]2CC)c1 ZINC001300331673 1068277973 /nfs/dbraw/zinc/27/79/73/1068277973.db2.gz OESDWLRZOVYACQ-QHCPKHFHSA-N 1 0 474.609 4.167 20 30 JIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccco1 ZINC000521468166 1068333112 /nfs/dbraw/zinc/33/31/12/1068333112.db2.gz UPCZQISVFQIQOR-KRWDZBQOSA-N 1 0 456.597 4.500 20 30 JIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001200392577 1068368745 /nfs/dbraw/zinc/36/87/45/1068368745.db2.gz BPYVCNOVBGFUFV-SFHVURJKSA-N 1 0 459.660 4.029 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001358875073 1068369610 /nfs/dbraw/zinc/36/96/10/1068369610.db2.gz IPQVWTKAPBYXTL-UGKGYDQZSA-N 1 0 478.666 4.072 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001358875866 1068372564 /nfs/dbraw/zinc/37/25/64/1068372564.db2.gz XQNYWWWHLQZIGO-HFZDXXHNSA-N 1 0 474.653 4.167 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358875962 1068372919 /nfs/dbraw/zinc/37/29/19/1068372919.db2.gz ZJTKZTDIISNZTH-GOSISDBHSA-N 1 0 469.431 4.026 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001358876707 1068374158 /nfs/dbraw/zinc/37/41/58/1068374158.db2.gz OZHLYMMGHNGZDE-LJQANCHMSA-N 1 0 456.034 4.480 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001358889256 1068387117 /nfs/dbraw/zinc/38/71/17/1068387117.db2.gz ZOSGSBNOSPILOZ-FDFHNCONSA-N 1 0 496.656 4.281 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001358899815 1068397247 /nfs/dbraw/zinc/39/72/47/1068397247.db2.gz VLPHLZACUYXLLO-AKIFATBCSA-N 1 0 480.657 4.419 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358899898 1068397535 /nfs/dbraw/zinc/39/75/35/1068397535.db2.gz XFEUYUSKFNCDBG-VQTJNVASSA-N 1 0 465.623 4.222 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001358899901 1068397656 /nfs/dbraw/zinc/39/76/56/1068397656.db2.gz XJUNWKOEJOBXDW-FPOVZHCZSA-N 1 0 458.651 4.073 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001358901512 1068399950 /nfs/dbraw/zinc/39/99/50/1068399950.db2.gz NHMVJYCZQLUISE-OYRHEFFESA-N 1 0 487.652 4.086 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001358901900 1068402391 /nfs/dbraw/zinc/40/23/91/1068402391.db2.gz ZLIBKXQABDPHBM-ZRZAMGCNSA-N 1 0 499.663 4.154 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001358903023 1068406244 /nfs/dbraw/zinc/40/62/44/1068406244.db2.gz IYBFAWMIYNKECD-LEWJYISDSA-N 1 0 490.677 4.107 20 30 JIEDRO C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300367303 1068407012 /nfs/dbraw/zinc/40/70/12/1068407012.db2.gz BZDOKGCMOLKBNE-OYRHEFFESA-N 1 0 455.672 4.060 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001358903316 1068407036 /nfs/dbraw/zinc/40/70/36/1068407036.db2.gz SDZSVWGDDLMCNC-HSZRJFAPSA-N 1 0 490.677 4.107 20 30 JIEDRO C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001358920982 1068457534 /nfs/dbraw/zinc/45/75/34/1068457534.db2.gz MCUJPANNRHVBAM-SANMLTNESA-N 1 0 462.686 4.228 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001358924143 1068467601 /nfs/dbraw/zinc/46/76/01/1068467601.db2.gz NJIZYWNUYULFNW-UHFFFAOYSA-N 1 0 474.024 4.480 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[N@H+](C)C1CCCCC1 ZINC001358941260 1068492917 /nfs/dbraw/zinc/49/29/17/1068492917.db2.gz CUFGMBCYJVKRFL-UHFFFAOYSA-N 1 0 474.447 4.440 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001358969045 1068508781 /nfs/dbraw/zinc/50/87/81/1068508781.db2.gz FUNRJTARRPCHOM-ZJSXRUAMSA-N 1 0 463.626 4.010 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358971009 1068511962 /nfs/dbraw/zinc/51/19/62/1068511962.db2.gz DOZJARUFFBNILY-QFIPXVFZSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001358971369 1068512643 /nfs/dbraw/zinc/51/26/43/1068512643.db2.gz RVGXOGOUPJYLIU-QFIPXVFZSA-N 1 0 455.610 4.063 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001358972338 1068517395 /nfs/dbraw/zinc/51/73/95/1068517395.db2.gz BELAWHBRKINGQL-QFIPXVFZSA-N 1 0 470.459 4.455 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCC[N@H+]1CCC ZINC001358974859 1068523720 /nfs/dbraw/zinc/52/37/20/1068523720.db2.gz UKVGMSZKAFZHQW-LJQANCHMSA-N 1 0 454.416 4.045 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001358978091 1068525952 /nfs/dbraw/zinc/52/59/52/1068525952.db2.gz CULAMQKOFBJXLW-DNQXCXABSA-N 1 0 496.700 4.120 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358992721 1068555310 /nfs/dbraw/zinc/55/53/10/1068555310.db2.gz UOXFMWOJQQSVOQ-GOTSBHOMSA-N 1 0 470.621 4.431 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001358996733 1068561184 /nfs/dbraw/zinc/56/11/84/1068561184.db2.gz PQBUMSXTBGGMQZ-HSZRJFAPSA-N 1 0 456.638 4.468 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001358998954 1068569501 /nfs/dbraw/zinc/56/95/01/1068569501.db2.gz YCFKESSDKOGMBY-CQOQZXRMSA-N 1 0 463.626 4.090 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001359004291 1068579056 /nfs/dbraw/zinc/57/90/56/1068579056.db2.gz QSFMGWFRLCLTRF-UHFFFAOYSA-N 1 0 486.060 4.490 20 30 JIEDRO C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359007571 1068582353 /nfs/dbraw/zinc/58/23/53/1068582353.db2.gz NOPPTNNGUXERFN-KMRXNPHXSA-N 1 0 489.668 4.035 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359018567 1068607866 /nfs/dbraw/zinc/60/78/66/1068607866.db2.gz VAUBHHFCWXGJRU-UPVQGACJSA-N 1 0 483.632 4.046 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359019262 1068610945 /nfs/dbraw/zinc/61/09/45/1068610945.db2.gz OUWCXXGUVUCSOP-QFIPXVFZSA-N 1 0 488.474 4.304 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359020668 1068618479 /nfs/dbraw/zinc/61/84/79/1068618479.db2.gz MBDAYIQWGMFQLF-CYFREDJKSA-N 1 0 488.474 4.304 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359022024 1068624451 /nfs/dbraw/zinc/62/44/51/1068624451.db2.gz KFYAHXHNZROJKZ-PMACEKPBSA-N 1 0 458.050 4.441 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359022025 1068625194 /nfs/dbraw/zinc/62/51/94/1068625194.db2.gz KFYAHXHNZROJKZ-WOJBJXKFSA-N 1 0 458.050 4.441 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359030256 1068635898 /nfs/dbraw/zinc/63/58/98/1068635898.db2.gz RLCWHBVCZTXYRB-GOTSBHOMSA-N 1 0 499.103 4.481 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359032401 1068645013 /nfs/dbraw/zinc/64/50/13/1068645013.db2.gz NCCBJPBMWAFYBY-DNQXCXABSA-N 1 0 462.686 4.021 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359032861 1068646660 /nfs/dbraw/zinc/64/66/60/1068646660.db2.gz GMCAHDWQYJPTBE-OAQYLSRUSA-N 1 0 499.501 4.117 20 30 JIEDRO C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359039402 1068652756 /nfs/dbraw/zinc/65/27/56/1068652756.db2.gz HEPKIHDXSSVWNQ-JOCHJYFZSA-N 1 0 487.117 4.099 20 30 JIEDRO C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001359057580 1068693104 /nfs/dbraw/zinc/69/31/04/1068693104.db2.gz DDIKDEKTBXWLNS-OAQYLSRUSA-N 1 0 487.664 4.462 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001359063327 1068704383 /nfs/dbraw/zinc/70/43/83/1068704383.db2.gz OZLSUKMZEKPLEG-FQRUVTKNSA-N 1 0 483.060 4.118 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359086489 1068767661 /nfs/dbraw/zinc/76/76/61/1068767661.db2.gz YDMCHIUBBGUIBT-OAHLLOKOSA-N 1 0 450.450 4.150 20 30 JIEDRO C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359087807 1068771987 /nfs/dbraw/zinc/77/19/87/1068771987.db2.gz QRFKWZMHOHEQNB-UHFFFAOYSA-N 1 0 478.410 4.360 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359096119 1068801611 /nfs/dbraw/zinc/80/16/11/1068801611.db2.gz XFZBLUTYSQHACV-BWKNWUBXSA-N 1 0 483.657 4.300 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359103788 1068810683 /nfs/dbraw/zinc/81/06/83/1068810683.db2.gz SJYATDBCSCCWAS-FUCAVZNHSA-N 1 0 453.631 4.066 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359103787 1068810780 /nfs/dbraw/zinc/81/07/80/1068810780.db2.gz SJYATDBCSCCWAS-FFHOAYQKSA-N 1 0 453.631 4.066 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001359105207 1068813992 /nfs/dbraw/zinc/81/39/92/1068813992.db2.gz LKIDJIHJXNSRII-FYYLOGMGSA-N 1 0 455.622 4.408 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359109874 1068820287 /nfs/dbraw/zinc/82/02/87/1068820287.db2.gz SECIGTJJDXOTAK-UHFFFAOYSA-N 1 0 462.038 4.245 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359119690 1068830871 /nfs/dbraw/zinc/83/08/71/1068830871.db2.gz IXXBEDLSVAKQTC-SQJMNOBHSA-N 1 0 493.656 4.181 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359119828 1068831216 /nfs/dbraw/zinc/83/12/16/1068831216.db2.gz QJCBJHFOUYTEPE-FQEVSTJZSA-N 1 0 469.630 4.008 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001359129918 1068841530 /nfs/dbraw/zinc/84/15/30/1068841530.db2.gz RRDQVUJXEUNDQU-ROUUACIJSA-N 1 0 492.462 4.228 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001359136921 1068846964 /nfs/dbraw/zinc/84/69/64/1068846964.db2.gz YYHWVWREYJKCHG-PKOBYXMFSA-N 1 0 480.440 4.430 20 30 JIEDRO C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359141880 1068851505 /nfs/dbraw/zinc/85/15/05/1068851505.db2.gz UUJMTLBWRXKFKY-UHFFFAOYSA-N 1 0 477.440 4.069 20 30 JIEDRO C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001359143008 1068852665 /nfs/dbraw/zinc/85/26/65/1068852665.db2.gz RZORSOYMOBTVTN-MJGOQNOKSA-N 1 0 468.429 4.371 20 30 JIEDRO C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001359148480 1068860154 /nfs/dbraw/zinc/86/01/54/1068860154.db2.gz REWNRXFYXCQYSA-IBGZPJMESA-N 1 0 457.022 4.126 20 30 JIEDRO C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001359155083 1068865466 /nfs/dbraw/zinc/86/54/66/1068865466.db2.gz LJBXGKHETNXIFZ-UHFFFAOYSA-N 1 0 484.048 4.024 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001359161979 1068873269 /nfs/dbraw/zinc/87/32/69/1068873269.db2.gz XYSGMEFECGXACF-UHFFFAOYSA-N 1 0 474.447 4.285 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001359162525 1068873511 /nfs/dbraw/zinc/87/35/11/1068873511.db2.gz UIXVIEYRKCYUNM-OAQYLSRUSA-N 1 0 480.451 4.440 20 30 JIEDRO C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359165240 1068875599 /nfs/dbraw/zinc/87/55/99/1068875599.db2.gz LAKSBSPWCIYUTR-YADHBBJMSA-N 1 0 472.678 4.281 20 30 JIEDRO C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001359168646 1068878707 /nfs/dbraw/zinc/87/87/07/1068878707.db2.gz DDAAAZBOUMKZSF-UHFFFAOYSA-N 1 0 462.063 4.227 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359168940 1068879545 /nfs/dbraw/zinc/87/95/45/1068879545.db2.gz NVGDRLYDSBCBQM-SZPZYZBQSA-N 1 0 467.658 4.464 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359175724 1068888890 /nfs/dbraw/zinc/88/88/90/1068888890.db2.gz XAXVOPYHBYJVTJ-HXUWFJFHSA-N 1 0 485.698 4.262 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359176012 1068889152 /nfs/dbraw/zinc/88/91/52/1068889152.db2.gz IUSKLVDQVBDWSU-HXUWFJFHSA-N 1 0 453.631 4.485 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001359176273 1068889994 /nfs/dbraw/zinc/88/99/94/1068889994.db2.gz RLWYWQUTIMGFPP-QFIPXVFZSA-N 1 0 453.631 4.485 20 30 JIEDRO C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001359182066 1068905678 /nfs/dbraw/zinc/90/56/78/1068905678.db2.gz QXUCJEIGNNMSCW-UHFFFAOYSA-N 1 0 476.090 4.473 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300527348 1068932083 /nfs/dbraw/zinc/93/20/83/1068932083.db2.gz FXDAGJJISPEEFA-GOTSBHOMSA-N 1 0 470.621 4.431 20 30 JIEDRO C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001359203860 1068981109 /nfs/dbraw/zinc/98/11/09/1068981109.db2.gz XMTYCSNYRKNKBI-BHDDXSALSA-N 1 0 472.678 4.422 20 30 JIEDRO C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001359210408 1068992918 /nfs/dbraw/zinc/99/29/18/1068992918.db2.gz RZMCGOJPPTZOPA-INIZCTEOSA-N 1 0 482.854 4.484 20 30 JIEDRO C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359210717 1068993573 /nfs/dbraw/zinc/99/35/73/1068993573.db2.gz FDYSVIIFNHSVBR-IBGZPJMESA-N 1 0 460.022 4.122 20 30 JIEDRO C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001359211312 1068995593 /nfs/dbraw/zinc/99/55/93/1068995593.db2.gz YKWDZFAPIQNJCU-UHFFFAOYSA-N 1 0 498.473 4.428 20 30 JIEDRO C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359213753 1068998356 /nfs/dbraw/zinc/99/83/56/1068998356.db2.gz FZCXXSBPNQVWAT-UHFFFAOYSA-N 1 0 463.630 4.123 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001300556141 1069012024 /nfs/dbraw/zinc/01/20/24/1069012024.db2.gz CRKMXZQKKKIGNZ-OAQYLSRUSA-N 1 0 451.590 4.285 20 30 JIEDRO 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C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300564056 1069044640 /nfs/dbraw/zinc/04/46/40/1069044640.db2.gz SEJGFJNTLIDNHH-NRFANRHFSA-N 1 0 480.410 4.375 20 30 JIEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849500075 1069070507 /nfs/dbraw/zinc/07/05/07/1069070507.db2.gz WWOIWANHKHMPKW-GOTSBHOMSA-N 1 0 458.566 4.240 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300570841 1069077709 /nfs/dbraw/zinc/07/77/09/1069077709.db2.gz ZDDXVOLABHXKFX-ZCYQVOJMSA-N 1 0 452.606 4.104 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300571286 1069078327 /nfs/dbraw/zinc/07/83/27/1069078327.db2.gz AMWBQKXWUQCMOT-DHIUTWEWSA-N 1 0 454.622 4.324 20 30 JIEDRO C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001359246878 1069080610 /nfs/dbraw/zinc/08/06/10/1069080610.db2.gz NSWHZYSNKIHZIC-FQEVSTJZSA-N 1 0 461.452 4.321 20 30 JIEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 ZINC000849520980 1069112634 /nfs/dbraw/zinc/11/26/34/1069112634.db2.gz PGSMZEGWQDLSKU-VXKWHMMOSA-N 1 0 463.969 4.198 20 30 JIEDRO COc1ccc(-c2nc(C)c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)s2)c(F)c1 ZINC001354357418 1069134639 /nfs/dbraw/zinc/13/46/39/1069134639.db2.gz PXQQIHBEGOXAIH-UHFFFAOYSA-N 1 0 452.555 4.342 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300590465 1069149766 /nfs/dbraw/zinc/14/97/66/1069149766.db2.gz BFBGKKHJSBNDIU-DEOSSOPVSA-N 1 0 461.654 4.484 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300590721 1069152134 /nfs/dbraw/zinc/15/21/34/1069152134.db2.gz FPRDVVSBTZQCBQ-XMMPIXPASA-N 1 0 461.635 4.301 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300591328 1069156152 /nfs/dbraw/zinc/15/61/52/1069156152.db2.gz NSNSCHMHGZIMMM-VWLOTQADSA-N 1 0 461.654 4.305 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001300595236 1069170474 /nfs/dbraw/zinc/17/04/74/1069170474.db2.gz JPTMIVKPSIAUJX-HXUWFJFHSA-N 1 0 456.059 4.419 20 30 JIEDRO C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+](C)C)C1CC1 ZINC001359253677 1069206326 /nfs/dbraw/zinc/20/63/26/1069206326.db2.gz PPPPPHPBHZWMED-WSTZPKSXSA-N 1 0 470.618 4.100 20 30 JIEDRO C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001359253916 1069209401 /nfs/dbraw/zinc/20/94/01/1069209401.db2.gz YQQUVOWINNMAAP-UGESXGAOSA-N 1 0 459.679 4.239 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300609388 1069210765 /nfs/dbraw/zinc/21/07/65/1069210765.db2.gz OKZXLQRHJCLDJN-IBGZPJMESA-N 1 0 474.447 4.440 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300612194 1069220553 /nfs/dbraw/zinc/22/05/53/1069220553.db2.gz WATHMYKBSRZYHV-IBGZPJMESA-N 1 0 456.388 4.371 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300626091 1069258429 /nfs/dbraw/zinc/25/84/29/1069258429.db2.gz OGRWUNQMNZIFKK-FCHUYYIVSA-N 1 0 472.678 4.117 20 30 JIEDRO COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300626681 1069261096 /nfs/dbraw/zinc/26/10/96/1069261096.db2.gz BULNSZVQOUMJSR-QHAWAJNXSA-N 1 0 468.646 4.218 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359258220 1069268698 /nfs/dbraw/zinc/26/86/98/1069268698.db2.gz KCKKJRKACHSFST-FUDKSRODSA-N 1 0 464.658 4.178 20 30 JIEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cn1 ZINC000849612573 1069275062 /nfs/dbraw/zinc/27/50/62/1069275062.db2.gz JKODQWIQSKUKJW-HOTGVXAUSA-N 1 0 466.401 4.384 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C ZINC001359264614 1069296352 /nfs/dbraw/zinc/29/63/52/1069296352.db2.gz JTNXZQUHVNMCDL-PXDATVDWSA-N 1 0 471.049 4.309 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCOC2)C1)C(C)C ZINC001359264613 1069296494 /nfs/dbraw/zinc/29/64/94/1069296494.db2.gz JTNXZQUHVNMCDL-OFVILXPXSA-N 1 0 471.049 4.309 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001359264539 1069296514 /nfs/dbraw/zinc/29/65/14/1069296514.db2.gz HRJOQLGYRBYUIE-YADHBBJMSA-N 1 0 456.679 4.085 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)C(C)C ZINC001359264764 1069297187 /nfs/dbraw/zinc/29/71/87/1069297187.db2.gz OXQOHCSAVGAIEX-WXVAWEFUSA-N 1 0 483.657 4.319 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300638266 1069297369 /nfs/dbraw/zinc/29/73/69/1069297369.db2.gz QDUVSHXKAVDNCZ-NLFFAJNJSA-N 1 0 479.650 4.470 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001359266298 1069301537 /nfs/dbraw/zinc/30/15/37/1069301537.db2.gz XURRXXBSUOYZBH-RGODFAACSA-N 1 0 494.684 4.121 20 30 JIEDRO CSc1nc(Cl)c(C=NO)c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693796 719806094 /nfs/dbraw/zinc/80/60/94/719806094.db2.gz UPYDIERXIPCPMB-UHFFFAOYSA-N 1 0 453.037 4.060 20 30 JIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC3)cs1 ZINC001164693573 719812118 /nfs/dbraw/zinc/81/21/18/719812118.db2.gz WQKYQPDQZMZWNX-UHFFFAOYSA-N 1 0 452.628 4.338 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164717486 720121212 /nfs/dbraw/zinc/12/12/12/720121212.db2.gz PMTICQPZYNKEHX-IBGZPJMESA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164719130 720127181 /nfs/dbraw/zinc/12/71/81/720127181.db2.gz WNHXJIRVKIVUED-UPVQGACJSA-N 1 0 486.595 4.174 20 30 JIEDRO Cn1nnc2c1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718264 720185065 /nfs/dbraw/zinc/18/50/65/720185065.db2.gz ODNZYXDGPVZOKU-HSZRJFAPSA-N 1 0 499.644 4.180 20 30 JIEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)C1 ZINC001164736556 720536813 /nfs/dbraw/zinc/53/68/13/720536813.db2.gz ZKKKCVBJMYPGQL-ZDUSSCGKSA-N 1 0 465.335 4.353 20 30 JIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)cc1 ZINC001164844380 720740296 /nfs/dbraw/zinc/74/02/96/720740296.db2.gz QUZIPKGUYFIDLI-UHFFFAOYSA-N 1 0 483.954 4.462 20 30 JIEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747736 720861938 /nfs/dbraw/zinc/86/19/38/720861938.db2.gz JMVQOUQYYABKNZ-NNMXDRDESA-N 1 0 462.001 4.039 20 30 JIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)[C@H]2C ZINC001164863226 721020054 /nfs/dbraw/zinc/02/00/54/721020054.db2.gz UKWDEIUQZMRNGB-INIZCTEOSA-N 1 0 451.962 4.412 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164786583 721462296 /nfs/dbraw/zinc/46/22/96/721462296.db2.gz ONVLVKBKRGNBQO-VWNXMTODSA-N 1 0 493.627 4.005 20 30 JIEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908172 721716942 /nfs/dbraw/zinc/71/69/42/721716942.db2.gz WCBWVNRWMYZVSQ-XMMPIXPASA-N 1 0 468.552 4.071 20 30 JIEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc([C@@H](C#N)c5ccccc5F)nn4)CC3)C2)cc1 ZINC001164939001 721928275 /nfs/dbraw/zinc/92/82/75/721928275.db2.gz GNZWWSLAELAQMJ-DEOSSOPVSA-N 1 0 471.580 4.451 20 30 JIEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(C[NH+](C)C)CC2)cc1C ZINC001165045362 721948945 /nfs/dbraw/zinc/94/89/45/721948945.db2.gz RCKKKZZOEPFHTE-DEOSSOPVSA-N 1 0 477.634 4.063 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCC1CC[NH+](CC)CC1 ZINC001300650013 1069330647 /nfs/dbraw/zinc/33/06/47/1069330647.db2.gz QVLQWOUHJUPCOO-UHFFFAOYSA-N 1 0 460.601 4.165 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300649951 1069330806 /nfs/dbraw/zinc/33/08/06/1069330806.db2.gz QEIFJGFZIHUPTP-UHFFFAOYSA-N 1 0 477.632 4.041 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300657514 1069357831 /nfs/dbraw/zinc/35/78/31/1069357831.db2.gz MWOGOKUCPAUFRM-UHFFFAOYSA-N 1 0 486.060 4.108 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001359316995 1069370420 /nfs/dbraw/zinc/37/04/20/1069370420.db2.gz ACHICHNDEXOROF-XMSQKQJNSA-N 1 0 455.006 4.021 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359322854 1069374659 /nfs/dbraw/zinc/37/46/59/1069374659.db2.gz DFZIWNBGRULDNM-PMACEKPBSA-N 1 0 459.585 4.049 20 30 JIEDRO C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359337748 1069395831 /nfs/dbraw/zinc/39/58/31/1069395831.db2.gz ZMABEWMHWAHPRX-PMACEKPBSA-N 1 0 489.661 4.166 20 30 JIEDRO C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359342384 1069407336 /nfs/dbraw/zinc/40/73/36/1069407336.db2.gz WILGKUGYAWFXGM-QFIPXVFZSA-N 1 0 459.635 4.290 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300680927 1069445915 /nfs/dbraw/zinc/44/59/15/1069445915.db2.gz ZUNDDARNWVQOAJ-CPJSRVTESA-N 1 0 468.671 4.441 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359411356 1069526473 /nfs/dbraw/zinc/52/64/73/1069526473.db2.gz JPMGVNVXNXSAPV-QJMPUOCTSA-N 1 0 491.684 4.068 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359412147 1069531025 /nfs/dbraw/zinc/53/10/25/1069531025.db2.gz LHFJQSLHMAQGDZ-UHFFFAOYSA-N 1 0 491.684 4.356 20 30 JIEDRO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC001359467223 1069605481 /nfs/dbraw/zinc/60/54/81/1069605481.db2.gz ONRIAQGTZWRDGG-FKIGELJASA-N 1 0 494.684 4.217 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359468554 1069611311 /nfs/dbraw/zinc/61/13/11/1069611311.db2.gz MZMFWUBGKNMNKA-VQTJNVASSA-N 1 0 470.687 4.372 20 30 JIEDRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCC(C)CC1 ZINC001359473242 1069622821 /nfs/dbraw/zinc/62/28/21/1069622821.db2.gz ZDAOGZANWASTOD-VSKRKVRLSA-N 1 0 487.693 4.109 20 30 JIEDRO 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 ZINC001359473354 1069623013 /nfs/dbraw/zinc/62/30/13/1069623013.db2.gz AKXRULJHCYRLBK-CTNGQTDRSA-N 1 0 487.693 4.109 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C1CC1)[NH+](C)C ZINC001359476526 1069632840 /nfs/dbraw/zinc/63/28/40/1069632840.db2.gz GNBIRVNKPXLFAD-KBXCAEBGSA-N 1 0 451.402 4.100 20 30 JIEDRO CC(C)[NH+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N)C(C)C ZINC001359478129 1069639156 /nfs/dbraw/zinc/63/91/56/1069639156.db2.gz NCFGVPLJKLCJNY-UXHICEINSA-N 1 0 461.655 4.065 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359478663 1069643625 /nfs/dbraw/zinc/64/36/25/1069643625.db2.gz YCGVEKLWJUPZLS-WWPVKYPJSA-N 1 0 465.646 4.104 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccsc2)CC1 ZINC001359548552 1069855241 /nfs/dbraw/zinc/85/52/41/1069855241.db2.gz GGQCRTMWBPWRQO-UHFFFAOYSA-N 1 0 450.612 4.149 20 30 JIEDRO CC(C)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCCCC1 ZINC001359597951 1070053659 /nfs/dbraw/zinc/05/36/59/1070053659.db2.gz JHKIRSWHOZHIGT-LJQANCHMSA-N 1 0 475.062 4.217 20 30 JIEDRO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359665898 1070299269 /nfs/dbraw/zinc/29/92/69/1070299269.db2.gz IEPUBFNBOIJJGY-OZXSUGGESA-N 1 0 450.631 4.150 20 30 JIEDRO CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359701363 1070367180 /nfs/dbraw/zinc/36/71/80/1070367180.db2.gz QWRNREVGGBZJDG-UHFFFAOYSA-N 1 0 450.631 4.443 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315621642 1064757019 /nfs/dbraw/zinc/75/70/19/1064757019.db2.gz HMDRWVZLJIXZEN-NRFANRHFSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315654056 1064840334 /nfs/dbraw/zinc/84/03/34/1064840334.db2.gz DXCTUGJNQQTSTN-LVXARBLLSA-N 1 0 466.630 4.118 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001315704900 1064971407 /nfs/dbraw/zinc/97/14/07/1064971407.db2.gz KEQSCZZXWMNJSM-LEWJYISDSA-N 1 0 480.657 4.243 20 30 JIEDRO COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001315893705 1065357448 /nfs/dbraw/zinc/35/74/48/1065357448.db2.gz HKIZFFKQSLIQOF-XJUOHMSHSA-N 1 0 464.658 4.436 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316002007 1065585685 /nfs/dbraw/zinc/58/56/85/1065585685.db2.gz GGQSBQHALMKEEL-ZYVVXELTSA-N 1 0 480.657 4.102 20 30 JIEDRO COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCC1)[C@@H]1CC[C@H](C)C1 ZINC001316075330 1065713378 /nfs/dbraw/zinc/71/33/78/1065713378.db2.gz BTYDNWKUCVXDLQ-GBXCKJPGSA-N 1 0 450.631 4.333 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316275106 1066026383 /nfs/dbraw/zinc/02/63/83/1066026383.db2.gz WVSMFJCJVZLODM-VGCGRUFVSA-N 1 0 480.657 4.043 20 30 JIEDRO CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC001316401692 1066179838 /nfs/dbraw/zinc/17/98/38/1066179838.db2.gz DUPLZTLEQFDMCX-LJQANCHMSA-N 1 0 478.588 4.423 20 30 JIEDRO CSC1(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cccc(C#N)c2)CC[NH+](C)CC1 ZINC001316403078 1066182893 /nfs/dbraw/zinc/18/28/93/1066182893.db2.gz IMYFEAUCLOPUKB-UHFFFAOYSA-N 1 0 450.612 4.182 20 30 JIEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001316498090 1066451750 /nfs/dbraw/zinc/45/17/50/1066451750.db2.gz WZUQKAMIDDOIAH-IFMALSPDSA-N 1 0 493.656 4.042 20 30 JIEDRO C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001337362992 1066477447 /nfs/dbraw/zinc/47/74/47/1066477447.db2.gz KIJNXTRXWABTKH-NRFANRHFSA-N 1 0 494.444 4.199 20 30 JIEDRO 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COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC001300029514 1067413559 /nfs/dbraw/zinc/41/35/59/1067413559.db2.gz RTNLETKUKSDMMA-FQEVSTJZSA-N 1 0 466.611 4.067 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC001300030949 1067420691 /nfs/dbraw/zinc/42/06/91/1067420691.db2.gz QJRUBMZTEWHLGW-OAQYLSRUSA-N 1 0 480.657 4.460 20 30 JIEDRO COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC001300041369 1067468686 /nfs/dbraw/zinc/46/86/86/1067468686.db2.gz QMCJGQHRVMFGQC-KYTVRQNUSA-N 1 0 484.620 4.162 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+](C)C2CCCCC2)c(OC)c1 ZINC001300051287 1067514415 /nfs/dbraw/zinc/51/44/15/1067514415.db2.gz GCKRTVZVWMRCPV-AREMUKBSSA-N 1 0 466.630 4.357 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2cccc(NC(=O)CCN3CCOCC3)c2)Nc2ccccc2)cc1 ZINC000849062520 1067791635 /nfs/dbraw/zinc/79/16/35/1067791635.db2.gz XMKQCLQPGTYULV-UHFFFAOYSA-N 1 0 485.632 4.414 20 30 JIEDRO COc1cc(CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)ccc1OCC(=O)N(C)C ZINC000849069687 1067796417 /nfs/dbraw/zinc/79/64/17/1067796417.db2.gz DMINRZHDXOTAIC-UHFFFAOYSA-N 1 0 460.578 4.229 20 30 JIEDRO C#CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001353259430 1067960857 /nfs/dbraw/zinc/96/08/57/1067960857.db2.gz MIPHLMNDNKOKAC-MHZLTWQESA-N 1 0 453.627 4.472 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300270494 1068049462 /nfs/dbraw/zinc/04/94/62/1068049462.db2.gz GFQQLOBXGOQQLK-OYRHEFFESA-N 1 0 480.657 4.362 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001300276685 1068060507 /nfs/dbraw/zinc/06/05/07/1068060507.db2.gz PJIPYJCZIBQWNV-UTKZUKDTSA-N 1 0 497.441 4.339 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CC[NH+](C)CC1 ZINC001300280734 1068071782 /nfs/dbraw/zinc/07/17/82/1068071782.db2.gz AJYLADMEYGPJSS-ZWKOTPCHSA-N 1 0 457.713 4.417 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300287063 1068087460 /nfs/dbraw/zinc/08/74/60/1068087460.db2.gz STYKRCOKTHGXPD-YLJYHZDGSA-N 1 0 453.974 4.495 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300287061 1068087540 /nfs/dbraw/zinc/08/75/40/1068087540.db2.gz STYKRCOKTHGXPD-PXNSSMCTSA-N 1 0 453.974 4.495 20 30 JIEDRO CSc1cccc(N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C2CC[NH+](C)CC2)c1 ZINC001353443733 1068139363 /nfs/dbraw/zinc/13/93/63/1068139363.db2.gz NGIKAHCGQNNIJN-LJQANCHMSA-N 1 0 452.599 4.373 20 30 JIEDRO COc1cccc([C@@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[NH+](C)C)c1 ZINC000510082520 1068153865 /nfs/dbraw/zinc/15/38/65/1068153865.db2.gz FIMTVPVWDFQNBD-LJQANCHMSA-N 1 0 468.608 4.135 20 30 JIEDRO COc1cccc([C@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[NH+](C)C)c1 ZINC000510082514 1068154088 /nfs/dbraw/zinc/15/40/88/1068154088.db2.gz FIMTVPVWDFQNBD-IBGZPJMESA-N 1 0 468.608 4.135 20 30 JIEDRO CCC(CC)[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC001473436302 1068168015 /nfs/dbraw/zinc/16/80/15/1068168015.db2.gz KHHIGBXMFRWBRM-HSZRJFAPSA-N 1 0 458.006 4.266 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@H](C)[NH+](C)C)c1 ZINC001300330507 1068271704 /nfs/dbraw/zinc/27/17/04/1068271704.db2.gz BODRZRRIVXGJTG-RBUKOAKNSA-N 1 0 490.677 4.138 20 30 JIEDRO Cc1ccc([C@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[NH+](C)C)cc1 ZINC000520056440 1068320107 /nfs/dbraw/zinc/32/01/07/1068320107.db2.gz ZGJFQYRZGHTLGH-IBGZPJMESA-N 1 0 452.609 4.435 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358871868 1068366110 /nfs/dbraw/zinc/36/61/10/1068366110.db2.gz LIRBXBOJNQBYBO-VQTJNVASSA-N 1 0 472.033 4.174 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358873327 1068367425 /nfs/dbraw/zinc/36/74/25/1068367425.db2.gz HNSOTQKAUWSYAV-WOJBJXKFSA-N 1 0 462.573 4.367 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001358874667 1068368750 /nfs/dbraw/zinc/36/87/50/1068368750.db2.gz AHGVRNMQWZBFCK-NHCUHLMSSA-N 1 0 491.709 4.109 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001358876906 1068374653 /nfs/dbraw/zinc/37/46/53/1068374653.db2.gz SSURYVQJYYXKRG-ROUUACIJSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC1CC[NH+](CC)CC1 ZINC001358880608 1068379514 /nfs/dbraw/zinc/37/95/14/1068379514.db2.gz PIZXQJMGVVVULF-KRWDZBQOSA-N 1 0 474.447 4.296 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001358887966 1068384849 /nfs/dbraw/zinc/38/48/49/1068384849.db2.gz FTPDBSGYNIFWCZ-QPPBQGQZSA-N 1 0 494.684 4.351 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001358896423 1068390370 /nfs/dbraw/zinc/39/03/70/1068390370.db2.gz CUUHSXAQOQOOSF-SFHVURJKSA-N 1 0 474.447 4.342 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358899645 1068396152 /nfs/dbraw/zinc/39/61/52/1068396152.db2.gz QXVNVSFXIHEQGR-LJQANCHMSA-N 1 0 474.074 4.327 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001358901680 1068400843 /nfs/dbraw/zinc/40/08/43/1068400843.db2.gz SVJCUQDXDWEGEK-NRFANRHFSA-N 1 0 488.617 4.267 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001358901878 1068402617 /nfs/dbraw/zinc/40/26/17/1068402617.db2.gz YZQBJOYQNIGVSN-HXUWFJFHSA-N 1 0 450.631 4.112 20 30 JIEDRO C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001358905772 1068414128 /nfs/dbraw/zinc/41/41/28/1068414128.db2.gz KWFXQNCLPUGKHI-UHFFFAOYSA-N 1 0 473.463 4.304 20 30 JIEDRO C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001358908477 1068427529 /nfs/dbraw/zinc/42/75/29/1068427529.db2.gz YLCIWFGGXYUXDQ-QFIPXVFZSA-N 1 0 451.615 4.219 20 30 JIEDRO 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ZINC001359255745 1069236792 /nfs/dbraw/zinc/23/67/92/1069236792.db2.gz JDIHVFQNQHZYEJ-VXKWHMMOSA-N 1 0 472.641 4.111 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001359256393 1069249494 /nfs/dbraw/zinc/24/94/94/1069249494.db2.gz DVJMPVMYPIGVHY-UHFFFAOYSA-N 1 0 475.685 4.101 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359258026 1069267831 /nfs/dbraw/zinc/26/78/31/1069267831.db2.gz DIYARKYHJILOJM-QHCPKHFHSA-N 1 0 467.658 4.254 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359260230 1069280020 /nfs/dbraw/zinc/28/00/20/1069280020.db2.gz XKDVQYLSRGGPTE-OAQYLSRUSA-N 1 0 468.621 4.110 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300637550 1069294418 /nfs/dbraw/zinc/29/44/18/1069294418.db2.gz FJWDZAXCMAIWNZ-UHFFFAOYSA-N 1 0 467.614 4.429 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2c(C)cccc2C1)C(C)C ZINC001359265197 1069298858 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/nfs/dbraw/zinc/35/17/22/1069351722.db2.gz FBJGEABJQOOSKH-NRFANRHFSA-N 1 0 498.425 4.224 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300657392 1069356927 /nfs/dbraw/zinc/35/69/27/1069356927.db2.gz LJNAPIAFRQLBEM-JOCHJYFZSA-N 1 0 460.626 4.008 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001359314070 1069359958 /nfs/dbraw/zinc/35/99/58/1069359958.db2.gz VTOQYTLVVJRBPM-CNNODRBYSA-N 1 0 460.022 4.195 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCC2)C1 ZINC001359315751 1069365536 /nfs/dbraw/zinc/36/55/36/1069365536.db2.gz AUJKJIBLJYWBGB-SFHVURJKSA-N 1 0 478.410 4.114 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001359314843 1069362695 /nfs/dbraw/zinc/36/26/95/1069362695.db2.gz ITFJEHIOCLHOMQ-NHCUHLMSSA-N 1 0 475.584 4.448 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001359323803 1069376835 /nfs/dbraw/zinc/37/68/35/1069376835.db2.gz XNHZVTSDGBCBAQ-QHCPKHFHSA-N 1 0 458.050 4.426 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359325358 1069380679 /nfs/dbraw/zinc/38/06/79/1069380679.db2.gz CYMWBZFQRLQRPJ-JOCHJYFZSA-N 1 0 474.049 4.414 20 30 JIEDRO C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359337749 1069396085 /nfs/dbraw/zinc/39/60/85/1069396085.db2.gz ZMABEWMHWAHPRX-VQTJNVASSA-N 1 0 489.661 4.166 20 30 JIEDRO C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359338461 1069397940 /nfs/dbraw/zinc/39/79/40/1069397940.db2.gz WVVVFZTUMPZXCC-UHFFFAOYSA-N 1 0 470.643 4.475 20 30 JIEDRO C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359343590 1069409359 /nfs/dbraw/zinc/40/93/59/1069409359.db2.gz WPQPLYQSBHHFHI-HSZRJFAPSA-N 1 0 471.671 4.266 20 30 JIEDRO CC(C)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001359597745 1070052393 /nfs/dbraw/zinc/05/23/93/1070052393.db2.gz BOSOJARQABZHTO-UHFFFAOYSA-N 1 0 498.075 4.114 20 30 JIEDRO CC(C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359665897 1070298783 /nfs/dbraw/zinc/29/87/83/1070298783.db2.gz IEPUBFNBOIJJGY-JYFHCDHNSA-N 1 0 450.631 4.150 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001315525238 1064500215 /nfs/dbraw/zinc/50/02/15/1064500215.db2.gz XRNBJYBACRKMDP-IRLDBZIGSA-N 1 0 466.630 4.401 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001315529838 1064512169 /nfs/dbraw/zinc/51/21/69/1064512169.db2.gz OGCFZRVJYOFGCB-JOCHJYFZSA-N 1 0 480.638 4.360 20 30 JIEDRO COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315599095 1064703600 /nfs/dbraw/zinc/70/36/00/1064703600.db2.gz PQZLPBNRGQWEDP-HXUWFJFHSA-N 1 0 450.612 4.448 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001315705996 1064976050 /nfs/dbraw/zinc/97/60/50/1064976050.db2.gz PYFWOLUHIKKJEE-HXUWFJFHSA-N 1 0 450.631 4.333 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[C@@H]1C ZINC001315721618 1065017719 /nfs/dbraw/zinc/01/77/19/1065017719.db2.gz XDBMWNTUQPGEPS-ZRCGQRJVSA-N 1 0 450.631 4.188 20 30 JIEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC001315737172 1065040994 /nfs/dbraw/zinc/04/09/94/1065040994.db2.gz RYPBABBROMIOAH-YZUZCNPQSA-N 1 0 480.657 4.100 20 30 JIEDRO COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001315885808 1065333475 /nfs/dbraw/zinc/33/34/75/1065333475.db2.gz PJTHSNOTCFJJRH-UNMCSNQZSA-N 1 0 464.639 4.434 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315993962 1065570901 /nfs/dbraw/zinc/57/09/01/1065570901.db2.gz OXRDKMJQHFKTLO-XZOQPEGZSA-N 1 0 450.631 4.048 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316002005 1065585631 /nfs/dbraw/zinc/58/56/31/1065585631.db2.gz GGQSBQHALMKEEL-MYIHVTGJSA-N 1 0 480.657 4.102 20 30 JIEDRO COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001316020571 1065621507 /nfs/dbraw/zinc/62/15/07/1065621507.db2.gz JDLWLWCQIKVNBN-UHFFFAOYSA-N 1 0 468.671 4.041 20 30 JIEDRO COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001316051746 1065674747 /nfs/dbraw/zinc/67/47/47/1065674747.db2.gz LOEXLMXPBYYNSZ-DWACAAAGSA-N 1 0 494.684 4.349 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001316275107 1066026234 /nfs/dbraw/zinc/02/62/34/1066026234.db2.gz WVSMFJCJVZLODM-VHXCZSFDSA-N 1 0 480.657 4.043 20 30 JIEDRO CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001316364035 1066101829 /nfs/dbraw/zinc/10/18/29/1066101829.db2.gz DNRZCCPMZZJFCN-UHFFFAOYSA-N 1 0 482.698 4.287 20 30 JIEDRO CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC[NH+](C)CC1 ZINC001316410250 1066197899 /nfs/dbraw/zinc/19/78/99/1066197899.db2.gz RPDXAJJSPZYQKM-BGYRXZFFSA-N 1 0 468.671 4.038 20 30 JIEDRO CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001316430085 1066263510 /nfs/dbraw/zinc/26/35/10/1066263510.db2.gz JQVBQFPQZIKQJQ-JOCHJYFZSA-N 1 0 468.671 4.325 20 30 JIEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001316495632 1066442059 /nfs/dbraw/zinc/44/20/59/1066442059.db2.gz FIHRVICLFHQBNX-HXUWFJFHSA-N 1 0 495.672 4.288 20 30 JIEDRO COc1ccc([C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1Br ZINC001336713480 1066445040 /nfs/dbraw/zinc/44/50/40/1066445040.db2.gz QJAWQBSJVGNNGI-GBXCKJPGSA-N 1 0 467.363 4.448 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001316529503 1066548184 /nfs/dbraw/zinc/54/81/84/1066548184.db2.gz PFYQYXSRQNYAOR-NRFANRHFSA-N 1 0 476.547 4.240 20 30 JIEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC001349754157 1066881256 /nfs/dbraw/zinc/88/12/56/1066881256.db2.gz ITNCZDKUFSADLL-UHFFFAOYSA-N 1 0 457.534 4.069 20 30 JIEDRO CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352176879 1067305931 /nfs/dbraw/zinc/30/59/31/1067305931.db2.gz SHLBYBRPHKSRTG-GOTSBHOMSA-N 1 0 456.631 4.477 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300786764 1067349805 /nfs/dbraw/zinc/34/98/05/1067349805.db2.gz PSKADZADTWVVFY-SFTDATJTSA-N 1 0 480.657 4.100 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300789856 1067358724 /nfs/dbraw/zinc/35/87/24/1067358724.db2.gz BGFJWULLAKVWNE-RXFWQSSRSA-N 1 0 451.615 4.219 20 30 JIEDRO COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300119261 1067733051 /nfs/dbraw/zinc/73/30/51/1067733051.db2.gz QHLBRDFPZURVTH-HFZDXXHNSA-N 1 0 468.621 4.168 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001300119673 1067734504 /nfs/dbraw/zinc/73/45/04/1067734504.db2.gz XKUSTYYSLBVJBN-UHFFFAOYSA-N 1 0 450.631 4.076 20 30 JIEDRO Cc1ccc(C[NH+]=C(NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)Nc2ccccc2)cc1 ZINC000849059180 1067789598 /nfs/dbraw/zinc/78/95/98/1067789598.db2.gz HTWCJMSKXINJED-AREMUKBSSA-N 1 0 486.616 4.427 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001300265053 1068034086 /nfs/dbraw/zinc/03/40/86/1068034086.db2.gz NMKXYLIVIFLCSM-UNMCSNQZSA-N 1 0 466.630 4.259 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300276603 1068059878 /nfs/dbraw/zinc/05/98/78/1068059878.db2.gz NTHPQJQQWYKRLT-HNAYVOBHSA-N 1 0 462.411 4.425 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300283929 1068079718 /nfs/dbraw/zinc/07/97/18/1068079718.db2.gz OVQGXUACZLTSMH-VWLOTQADSA-N 1 0 454.619 4.115 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300285571 1068084488 /nfs/dbraw/zinc/08/44/88/1068084488.db2.gz XWECMJPXFREBAO-AREMUKBSSA-N 1 0 466.630 4.118 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300287301 1068088048 /nfs/dbraw/zinc/08/80/48/1068088048.db2.gz XZPNVMRLLNRNDF-SFHVURJKSA-N 1 0 459.997 4.231 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300290841 1068095939 /nfs/dbraw/zinc/09/59/39/1068095939.db2.gz PXEJDWTVFLOAEZ-DENIHFKCSA-N 1 0 451.615 4.217 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300302473 1068144386 /nfs/dbraw/zinc/14/43/86/1068144386.db2.gz BGWVTRGUXSFFNH-ZJOUEHCJSA-N 1 0 486.686 4.215 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000511547028 1068198517 /nfs/dbraw/zinc/19/85/17/1068198517.db2.gz LTBRCCYLYWRMLE-UHFFFAOYSA-N 1 0 470.599 4.437 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300319366 1068227270 /nfs/dbraw/zinc/22/72/70/1068227270.db2.gz BWIYAFNSRUMAQX-PIBDYAPNSA-N 1 0 474.634 4.331 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001300321839 1068238863 /nfs/dbraw/zinc/23/88/63/1068238863.db2.gz OKBYXSQYMPAJEB-KBMIEXCESA-N 1 0 455.672 4.050 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001300331616 1068276593 /nfs/dbraw/zinc/27/65/93/1068276593.db2.gz NHQJPWNLJNDCBR-MMTVBGGISA-N 1 0 488.636 4.413 20 30 JIEDRO C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300339984 1068320901 /nfs/dbraw/zinc/32/09/01/1068320901.db2.gz UKCIZJGMVPMMHY-UHFFFAOYSA-N 1 0 462.642 4.405 20 30 JIEDRO C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001300342617 1068332316 /nfs/dbraw/zinc/33/23/16/1068332316.db2.gz SQKRBPGEPWZMJG-DEOSSOPVSA-N 1 0 489.668 4.284 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001358871798 1068365924 /nfs/dbraw/zinc/36/59/24/1068365924.db2.gz KPYIRDGVNZWFBV-LEWJYISDSA-N 1 0 483.632 4.439 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358886141 1068384262 /nfs/dbraw/zinc/38/42/62/1068384262.db2.gz YMVZAUNWWLRCKC-HYBUGGRVSA-N 1 0 476.625 4.195 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358888898 1068385859 /nfs/dbraw/zinc/38/58/59/1068385859.db2.gz UBIDVIJYVXCENB-BJESRGMDSA-N 1 0 486.705 4.219 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001358890347 1068386994 /nfs/dbraw/zinc/38/69/94/1068386994.db2.gz OEYIAOIWKUJLQS-HYBUGGRVSA-N 1 0 451.615 4.007 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358897229 1068391915 /nfs/dbraw/zinc/39/19/15/1068391915.db2.gz VRAIBHLPTMNIOM-LPHOPBHVSA-N 1 0 488.455 4.442 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001358898796 1068394547 /nfs/dbraw/zinc/39/45/47/1068394547.db2.gz AIHQFMCEDMXYQT-FSSWDIPSSA-N 1 0 472.678 4.463 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2CC[NH+](CCC)CC2)c1 ZINC001358901713 1068400832 /nfs/dbraw/zinc/40/08/32/1068400832.db2.gz UQCYDULWHJCMOP-UHFFFAOYSA-N 1 0 474.609 4.025 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001358903317 1068407191 /nfs/dbraw/zinc/40/71/91/1068407191.db2.gz SDZSVWGDDLMCNC-QHCPKHFHSA-N 1 0 490.677 4.107 20 30 JIEDRO C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001358907500 1068421735 /nfs/dbraw/zinc/42/17/35/1068421735.db2.gz RHULJTAYWGRNBF-UHFFFAOYSA-N 1 0 486.458 4.121 20 30 JIEDRO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001358921751 1068459523 /nfs/dbraw/zinc/45/95/23/1068459523.db2.gz IFVJIAMFZMQSLW-UHFFFAOYSA-N 1 0 485.405 4.301 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001358923946 1068467703 /nfs/dbraw/zinc/46/77/03/1068467703.db2.gz HMACOVDSCVEHTQ-PMACEKPBSA-N 1 0 473.040 4.146 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001358924489 1068469835 /nfs/dbraw/zinc/46/98/35/1068469835.db2.gz YAHQXDXHJYBBIT-UHFFFAOYSA-N 1 0 473.040 4.146 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358941022 1068492808 /nfs/dbraw/zinc/49/28/08/1068492808.db2.gz VQCMXWVDWHFPIQ-QGZVFWFLSA-N 1 0 462.392 4.281 20 30 JIEDRO C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001358948247 1068501269 /nfs/dbraw/zinc/50/12/69/1068501269.db2.gz YDMYPLPVIWHWHB-PKTZIBPZSA-N 1 0 480.657 4.073 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001358969253 1068509196 /nfs/dbraw/zinc/50/91/96/1068509196.db2.gz KTFFADMQWFYWPM-YKSBVNFPSA-N 1 0 451.590 4.141 20 30 JIEDRO C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001300393123 1068516955 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HJSQJALQURGMNF-NBGIEHNGSA-N 1 0 453.656 4.446 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359074687 1068731248 /nfs/dbraw/zinc/73/12/48/1068731248.db2.gz NOBFKRIANGCUKC-UMTXDNHDSA-N 1 0 484.689 4.463 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359079656 1068746927 /nfs/dbraw/zinc/74/69/27/1068746927.db2.gz RGGLFOCXDFRUDR-MRXNPFEDSA-N 1 0 480.838 4.197 20 30 JIEDRO C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359084962 1068763001 /nfs/dbraw/zinc/76/30/01/1068763001.db2.gz XFILXUIQSCMMQU-UHFFFAOYSA-N 1 0 471.447 4.359 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359090178 1068782183 /nfs/dbraw/zinc/78/21/83/1068782183.db2.gz WCHKIECQRXROKC-GUDVDZBRSA-N 1 0 466.468 4.170 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001359093512 1068794645 /nfs/dbraw/zinc/79/46/45/1068794645.db2.gz 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GCTHIMFTAHYHFT-UHFFFAOYSA-N 1 0 455.697 4.310 20 30 JIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359117765 1068827674 /nfs/dbraw/zinc/82/76/74/1068827674.db2.gz SKYPDZSZJNHGOD-MOPGFXCFSA-N 1 0 460.022 4.337 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001359118951 1068829675 /nfs/dbraw/zinc/82/96/75/1068829675.db2.gz MURDAFVSPRYCFR-INIZCTEOSA-N 1 0 468.465 4.282 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359119006 1068829921 /nfs/dbraw/zinc/82/99/21/1068829921.db2.gz PLCHSVDNZAGMRG-GOSISDBHSA-N 1 0 474.447 4.282 20 30 JIEDRO C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001359123465 1068834040 /nfs/dbraw/zinc/83/40/40/1068834040.db2.gz PAPUPKVRHLBSJG-QHCPKHFHSA-N 1 0 487.092 4.044 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001359128141 1068838615 /nfs/dbraw/zinc/83/86/15/1068838615.db2.gz LDVALEPXVZUIRF-QGZVFWFLSA-N 1 0 480.476 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C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCCC[NH+]1CCCC1 ZINC001300516622 1068899868 /nfs/dbraw/zinc/89/98/68/1068899868.db2.gz RKSJKBNPCCLUGV-UHFFFAOYSA-N 1 0 460.445 4.108 20 30 JIEDRO C=CC1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)CC)CC1 ZINC001359180725 1068901981 /nfs/dbraw/zinc/90/19/81/1068901981.db2.gz PQCWCXSOSGXVCK-UHFFFAOYSA-N 1 0 450.675 4.481 20 30 JIEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=S)NCc1ccco1)c1ccnc2ccc(OC)cc21 ZINC001200568915 1068911342 /nfs/dbraw/zinc/91/13/42/1068911342.db2.gz ARMKAEUTYFFKTC-GXZJQHSTSA-N 1 0 462.619 4.438 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+](C)C1CCCCC1 ZINC001300521248 1068913492 /nfs/dbraw/zinc/91/34/92/1068913492.db2.gz UMBDEEPZLSWUDX-UHFFFAOYSA-N 1 0 472.406 4.184 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001359185058 1068916144 /nfs/dbraw/zinc/91/61/44/1068916144.db2.gz KGVZJTJSAMZWBF-OAQYLSRUSA-N 1 0 487.092 4.426 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001359186704 1068920947 /nfs/dbraw/zinc/92/09/47/1068920947.db2.gz QILDRIAKQNIBOV-HXUWFJFHSA-N 1 0 461.614 4.229 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001359187535 1068922145 /nfs/dbraw/zinc/92/21/45/1068922145.db2.gz PPDQGORCSJHQKQ-GOTSBHOMSA-N 1 0 465.690 4.246 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001359188878 1068924280 /nfs/dbraw/zinc/92/42/80/1068924280.db2.gz WNEPYLGRGILJHS-XMMPIXPASA-N 1 0 499.725 4.131 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359189448 1068925593 /nfs/dbraw/zinc/92/55/93/1068925593.db2.gz LDPXLODKRUXUEY-FQEVSTJZSA-N 1 0 490.693 4.109 20 30 JIEDRO C=CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001359205937 1068984243 /nfs/dbraw/zinc/98/42/43/1068984243.db2.gz OTFMJXFPHMWNGF-UHFFFAOYSA-N 1 0 461.658 4.129 20 30 JIEDRO C=CCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359206435 1068985361 /nfs/dbraw/zinc/98/53/61/1068985361.db2.gz FCBBMSHLBMXZTF-OYRHEFFESA-N 1 0 460.667 4.183 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001300549111 1068993878 /nfs/dbraw/zinc/99/38/78/1068993878.db2.gz XYCDCBMYLFMEHU-RUZDIDTESA-N 1 0 471.605 4.367 20 30 JIEDRO C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001359218928 1069004390 /nfs/dbraw/zinc/00/43/90/1069004390.db2.gz ZUVFOHVUVRRHNR-QHCPKHFHSA-N 1 0 450.675 4.481 20 30 JIEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300554987 1069009605 /nfs/dbraw/zinc/00/96/05/1069009605.db2.gz POVGVUXXJCLSIA-DHIUTWEWSA-N 1 0 488.680 4.368 20 30 JIEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300554989 1069009659 /nfs/dbraw/zinc/00/96/59/1069009659.db2.gz POVGVUXXJCLSIA-ZRZAMGCNSA-N 1 0 488.680 4.368 20 30 JIEDRO C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359232848 1069029761 /nfs/dbraw/zinc/02/97/61/1069029761.db2.gz HICZQMXBFWKRLM-RUZDIDTESA-N 1 0 450.656 4.412 20 30 JIEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359238821 1069039434 /nfs/dbraw/zinc/03/94/34/1069039434.db2.gz XEEVPXHOIXAOCC-NHCUHLMSSA-N 1 0 477.657 4.055 20 30 JIEDRO C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001359243801 1069045322 /nfs/dbraw/zinc/04/53/22/1069045322.db2.gz FMGOKESKSQKOPR-UHFFFAOYSA-N 1 0 453.631 4.131 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300569176 1069069956 /nfs/dbraw/zinc/06/99/56/1069069956.db2.gz DXYSTJDJKSQCEK-UHFFFAOYSA-N 1 0 498.469 4.301 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1([NH+](C)C)CCC1 ZINC001300591972 1069158553 /nfs/dbraw/zinc/15/85/53/1069158553.db2.gz ZBCJVYCOIJCZFZ-UHFFFAOYSA-N 1 0 460.409 4.111 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300595052 1069169386 /nfs/dbraw/zinc/16/93/86/1069169386.db2.gz GAKSAZUVRUFZPG-VXKWHMMOSA-N 1 0 465.617 4.216 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001300626903 1069262641 /nfs/dbraw/zinc/26/26/41/1069262641.db2.gz ZLVMQEJAFCCVAZ-GOTSBHOMSA-N 1 0 480.657 4.155 20 30 JIEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cn1 ZINC000849612572 1069274256 /nfs/dbraw/zinc/27/42/56/1069274256.db2.gz JKODQWIQSKUKJW-CVEARBPZSA-N 1 0 466.401 4.384 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001359261736 1069285384 /nfs/dbraw/zinc/28/53/84/1069285384.db2.gz UQPPSCBTQJGAMI-JOCHJYFZSA-N 1 0 451.640 4.271 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359262651 1069289701 /nfs/dbraw/zinc/28/97/01/1069289701.db2.gz ADWRVJFTFJZNFG-FQEVSTJZSA-N 1 0 453.660 4.301 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C ZINC001359265793 1069300393 /nfs/dbraw/zinc/30/03/93/1069300393.db2.gz LZFJKRDHPPGSAX-SFHLNBCPSA-N 1 0 486.686 4.035 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C2CC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC001359265831 1069301130 /nfs/dbraw/zinc/30/11/30/1069301130.db2.gz MSSFDPYUJSWUTD-ZRBLBEILSA-N 1 0 484.689 4.157 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001359268491 1069306259 /nfs/dbraw/zinc/30/62/59/1069306259.db2.gz RUIFTDIJDIMPPM-FQEVSTJZSA-N 1 0 468.715 4.336 20 30 JIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664951 719359169 /nfs/dbraw/zinc/35/91/69/719359169.db2.gz SVZGSZUBTMKMJG-RPLLCQBOSA-N 1 0 460.626 4.019 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164719122 720126448 /nfs/dbraw/zinc/12/64/48/720126448.db2.gz WNHXJIRVKIVUED-ISKFKSNPSA-N 1 0 486.595 4.174 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@@H]21 ZINC001164838748 720642356 /nfs/dbraw/zinc/64/23/56/720642356.db2.gz LLLMQSVVGPWESZ-ONTIZHBOSA-N 1 0 478.000 4.368 20 30 JIEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745303 720861763 /nfs/dbraw/zinc/86/17/63/720861763.db2.gz CXCJAOCYEXTGFE-PONJGIIJSA-N 1 0 483.954 4.009 20 30 JIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751744 720899421 /nfs/dbraw/zinc/89/94/21/720899421.db2.gz DGGWGMKIDUWLSP-QPPBQGQZSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)cc1Cl ZINC001164755162 720929085 /nfs/dbraw/zinc/92/90/85/720929085.db2.gz ZFWXRPYNLVXZGP-NTKDMRAZSA-N 1 0 472.420 4.410 20 30 JIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)[C@H]2C ZINC001164862967 720966369 /nfs/dbraw/zinc/96/63/69/720966369.db2.gz XDPGCGPPVLSGTK-HNNXBMFYSA-N 1 0 453.953 4.426 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164786572 721462536 /nfs/dbraw/zinc/46/25/36/721462536.db2.gz ONVLVKBKRGNBQO-LADGPHEKSA-N 1 0 493.627 4.005 20 30 JIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897177 721512436 /nfs/dbraw/zinc/51/24/36/721512436.db2.gz FFIXMZOAIMPKGT-DZGCQCFKSA-N 1 0 457.283 4.286 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164803389 721592209 /nfs/dbraw/zinc/59/22/09/721592209.db2.gz HXOMMZYUMPWDAF-ZFGGDYGUSA-N 1 0 465.960 4.471 20 30 JIEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905457 721706608 /nfs/dbraw/zinc/70/66/08/721706608.db2.gz GIIQRJNQAUJSNS-LJQANCHMSA-N 1 0 453.871 4.284 20 30 JIEDRO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001165025498 721817212 /nfs/dbraw/zinc/81/72/12/721817212.db2.gz NBVJPJWIAMMHHS-CVAIRZPRSA-N 1 0 461.944 4.292 20 30 JIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960471 722052494 /nfs/dbraw/zinc/05/24/94/722052494.db2.gz ORRHUWXLSGPTMU-UHFFFAOYSA-N 1 0 482.362 4.319 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359279202 1069319539 /nfs/dbraw/zinc/31/95/39/1069319539.db2.gz WZZHBEKNUGZEPQ-KOSHJBKYSA-N 1 0 475.728 4.208 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001359279851 1069320707 /nfs/dbraw/zinc/32/07/07/1069320707.db2.gz VPUPMXCFKGHYGT-SFHVURJKSA-N 1 0 462.436 4.139 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001300656944 1069354078 /nfs/dbraw/zinc/35/40/78/1069354078.db2.gz QPNKWCXXVYSBFJ-UHFFFAOYSA-N 1 0 474.447 4.058 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300657087 1069354573 /nfs/dbraw/zinc/35/45/73/1069354573.db2.gz GMGXBOMWWLJLTE-XUZZJYLKSA-N 1 0 479.650 4.184 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359312495 1069356364 /nfs/dbraw/zinc/35/63/64/1069356364.db2.gz VWQKCCAFJRXUBF-YKSBVNFPSA-N 1 0 494.684 4.439 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001359312997 1069357925 /nfs/dbraw/zinc/35/79/25/1069357925.db2.gz FHWWBQNIZZXUST-DNQXCXABSA-N 1 0 497.684 4.052 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001359316306 1069367876 /nfs/dbraw/zinc/36/78/76/1069367876.db2.gz MHLKQYLFYNONHF-FCHUYYIVSA-N 1 0 483.016 4.086 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001359316679 1069368947 /nfs/dbraw/zinc/36/89/47/1069368947.db2.gz UAFNTFCIADOHNA-RPBOFIJWSA-N 1 0 481.685 4.381 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001359316581 1069369162 /nfs/dbraw/zinc/36/91/62/1069369162.db2.gz RMYQSJGMJGXCQM-WOJBJXKFSA-N 1 0 460.022 4.263 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001359316578 1069369295 /nfs/dbraw/zinc/36/92/95/1069369295.db2.gz RMYQSJGMJGXCQM-PMACEKPBSA-N 1 0 460.022 4.263 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359322820 1069374163 /nfs/dbraw/zinc/37/41/63/1069374163.db2.gz CHQSTFQMPFHJRS-LOSJGSFVSA-N 1 0 451.659 4.469 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001359323342 1069376239 /nfs/dbraw/zinc/37/62/39/1069376239.db2.gz MKPLLLVBWVMIFL-FCHUYYIVSA-N 1 0 455.603 4.154 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359324273 1069377872 /nfs/dbraw/zinc/37/78/72/1069377872.db2.gz HNLQPXYGOWMEFD-LADGPHEKSA-N 1 0 453.631 4.067 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001359324359 1069378528 /nfs/dbraw/zinc/37/85/28/1069378528.db2.gz JNWRIHNAKIPIKH-QHCPKHFHSA-N 1 0 453.631 4.211 20 30 JIEDRO C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359339460 1069401554 /nfs/dbraw/zinc/40/15/54/1069401554.db2.gz GFNRUIJBHMQGRY-OYRHEFFESA-N 1 0 480.682 4.062 20 30 JIEDRO C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359345836 1069415390 /nfs/dbraw/zinc/41/53/90/1069415390.db2.gz RZVLFMSVIXGPJB-UHFFFAOYSA-N 1 0 459.635 4.370 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359412475 1069532192 /nfs/dbraw/zinc/53/21/92/1069532192.db2.gz YJIMXNGOYBUYFY-UHFFFAOYSA-N 1 0 491.684 4.355 20 30 JIEDRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359467865 1069606507 /nfs/dbraw/zinc/60/65/07/1069606507.db2.gz ZSLAMFHPVKDARN-YVHKJVDXSA-N 1 0 463.051 4.105 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C1CC1)[NH+](C)C ZINC001359476528 1069632516 /nfs/dbraw/zinc/63/25/16/1069632516.db2.gz GNBIRVNKPXLFAD-KSSFIOAISA-N 1 0 451.402 4.100 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001359476798 1069634006 /nfs/dbraw/zinc/63/40/06/1069634006.db2.gz LHCHBZWMTYNETA-SIKLNZKXSA-N 1 0 466.561 4.412 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359478593 1069643859 /nfs/dbraw/zinc/64/38/59/1069643859.db2.gz WHMVCPBFUYIBLE-TUACAJSNSA-N 1 0 464.658 4.241 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001359534377 1069827497 /nfs/dbraw/zinc/82/74/97/1069827497.db2.gz UHNAIMJHMMJGOX-JWQCQUIFSA-N 1 0 478.685 4.044 20 30 JIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001359558967 1069879756 /nfs/dbraw/zinc/87/97/56/1069879756.db2.gz YJEYEKGXFSXMMB-NRFANRHFSA-N 1 0 497.644 4.174 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCC1 ZINC001359659229 1070264123 /nfs/dbraw/zinc/26/41/23/1070264123.db2.gz SGEOTADRLNMLSX-UGKGYDQZSA-N 1 0 493.400 4.409 20 30 JIEDRO CC(C)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001359662485 1070283661 /nfs/dbraw/zinc/28/36/61/1070283661.db2.gz AIYAHEMHGGAJPH-QHCPKHFHSA-N 1 0 499.704 4.253 20 30 JIEDRO CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359701497 1070367382 /nfs/dbraw/zinc/36/73/82/1070367382.db2.gz VQDALGUOQAJTRO-JOCHJYFZSA-N 1 0 450.631 4.441 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001315529266 1064510721 /nfs/dbraw/zinc/51/07/21/1064510721.db2.gz JAKUOXFWEZXSJD-UHFFFAOYSA-N 1 0 466.630 4.260 20 30 JIEDRO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[C@](C)(C#N)C2)[NH+]2CCCC2)c1 ZINC001315547383 1064556703 /nfs/dbraw/zinc/55/67/03/1064556703.db2.gz QBQBYUGJWYSTOE-ZEQKJWHPSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315603498 1064715038 /nfs/dbraw/zinc/71/50/38/1064715038.db2.gz GIXUTOJZTRBNAC-RLWLMLJZSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315654055 1064840402 /nfs/dbraw/zinc/84/04/02/1064840402.db2.gz DXCTUGJNQQTSTN-HFZDXXHNSA-N 1 0 466.630 4.118 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1CC1CC[NH+](C2CC2)CC1 ZINC001315661987 1064863008 /nfs/dbraw/zinc/86/30/08/1064863008.db2.gz YNTVOKRLFOSZDS-SFHVURJKSA-N 1 0 454.644 4.192 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315663063 1064868355 /nfs/dbraw/zinc/86/83/55/1064868355.db2.gz GMVRYUDWDDKUMI-YKSBVNFPSA-N 1 0 472.634 4.141 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315663061 1064868376 /nfs/dbraw/zinc/86/83/76/1064868376.db2.gz GMVRYUDWDDKUMI-HYBUGGRVSA-N 1 0 472.634 4.141 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001315704015 1064969493 /nfs/dbraw/zinc/96/94/93/1064969493.db2.gz DTHSAOCLZBKURH-IBGZPJMESA-N 1 0 462.598 4.497 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1(C)C ZINC001315717547 1065009036 /nfs/dbraw/zinc/00/90/36/1065009036.db2.gz KGAUXEGKMANLRL-PQNGQFLHSA-N 1 0 464.658 4.436 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC[C@@H]1C ZINC001315718446 1065011472 /nfs/dbraw/zinc/01/14/72/1065011472.db2.gz OWRVSZJYNUYWCR-WDJPJFJCSA-N 1 0 450.631 4.188 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001316002000 1065585657 /nfs/dbraw/zinc/58/56/57/1065585657.db2.gz GGQSBQHALMKEEL-JEYPMZLKSA-N 1 0 480.657 4.102 20 30 JIEDRO COCCCCCn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001316007608 1065597135 /nfs/dbraw/zinc/59/71/35/1065597135.db2.gz YQBRWHALRBSOEQ-UHFFFAOYSA-N 1 0 450.631 4.336 20 30 JIEDRO COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316084398 1065734084 /nfs/dbraw/zinc/73/40/84/1065734084.db2.gz FNKVSWAUPDPOEF-UHFFFAOYSA-N 1 0 473.625 4.278 20 30 JIEDRO COCCN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316096234 1065759394 /nfs/dbraw/zinc/75/93/94/1065759394.db2.gz ZNWBPCBLISDTGQ-SFTDATJTSA-N 1 0 462.598 4.183 20 30 JIEDRO COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001316096927 1065761403 /nfs/dbraw/zinc/76/14/03/1065761403.db2.gz TWRMNVLGMAGHPM-NHCUHLMSSA-N 1 0 464.658 4.436 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCC[C@@H]1C ZINC001316099263 1065765259 /nfs/dbraw/zinc/76/52/59/1065765259.db2.gz VQRUZHOOJZRLPD-INIZCTEOSA-N 1 0 451.402 4.103 20 30 JIEDRO CSC1(Cn2c(-c3ccccc3Br)nnc2N2CCC(C#N)CC2)CC[NH+](C)CC1 ZINC001316403841 1066184922 /nfs/dbraw/zinc/18/49/22/1066184922.db2.gz AJYNEKSEPDDSAT-UHFFFAOYSA-N 1 0 489.487 4.275 20 30 JIEDRO C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001336583185 1066440968 /nfs/dbraw/zinc/44/09/68/1066440968.db2.gz NXUAJAXIMSHEOU-HXUWFJFHSA-N 1 0 494.444 4.199 20 30 JIEDRO N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001316527382 1066543553 /nfs/dbraw/zinc/54/35/53/1066543553.db2.gz KMHDSVJCGRPTFB-OAQYLSRUSA-N 1 0 478.414 4.134 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2CCSC(F)(F)F)c1 ZINC001316529647 1066548112 /nfs/dbraw/zinc/54/81/12/1066548112.db2.gz QMZXESFDJIEBLY-UHFFFAOYSA-N 1 0 494.587 4.151 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300682375 1067017487 /nfs/dbraw/zinc/01/74/87/1067017487.db2.gz GYCOCFDABIBPCN-HJOGWXRNSA-N 1 0 496.675 4.071 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300734023 1067180858 /nfs/dbraw/zinc/18/08/58/1067180858.db2.gz PNALZPHXAVWXKJ-OAQYLSRUSA-N 1 0 455.672 4.368 20 30 JIEDRO C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001300745818 1067254181 /nfs/dbraw/zinc/25/41/81/1067254181.db2.gz MEQLKHRIONOOPC-QGZVFWFLSA-N 1 0 494.478 4.381 20 30 JIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1ccc(Br)cc1C#N ZINC001352131615 1067295735 /nfs/dbraw/zinc/29/57/35/1067295735.db2.gz CUVYYPFPDRSMOB-UHFFFAOYSA-N 1 0 454.372 4.193 20 30 JIEDRO C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001300768355 1067313513 /nfs/dbraw/zinc/31/35/13/1067313513.db2.gz PSTWLJBQNZIZHN-RBBKRZOGSA-N 1 0 488.101 4.291 20 30 JIEDRO COc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)[NH+]2CCCCC2)cc1 ZINC001352319358 1067331711 /nfs/dbraw/zinc/33/17/11/1067331711.db2.gz WZJDOFAQJUFRNN-JOCHJYFZSA-N 1 0 456.384 4.215 20 30 JIEDRO C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300777985 1067332433 /nfs/dbraw/zinc/33/24/33/1067332433.db2.gz IVKXDUZWNVNHEK-FGZHOGPDSA-N 1 0 459.704 4.018 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300779086 1067334731 /nfs/dbraw/zinc/33/47/31/1067334731.db2.gz ONQCVEFYFMUWDI-KCVHQNEMSA-N 1 0 482.698 4.333 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(CCc4ccccc4)nnc3N(C)[C@@H](C)CC#N)CCCC2)CC1 ZINC001300792465 1067363330 /nfs/dbraw/zinc/36/33/30/1067363330.db2.gz WNYFRCOMTATCOH-QFIPXVFZSA-N 1 0 464.658 4.225 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300029620 1067414444 /nfs/dbraw/zinc/41/44/44/1067414444.db2.gz TVRLPBULFRRJRW-LJQANCHMSA-N 1 0 466.630 4.213 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300031279 1067422051 /nfs/dbraw/zinc/42/20/51/1067422051.db2.gz YIFSGPGOZMYXRC-UHFFFAOYSA-N 1 0 466.630 4.214 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001300116846 1067727419 /nfs/dbraw/zinc/72/74/19/1067727419.db2.gz IDLSNIYFIRQFPM-QHCPKHFHSA-N 1 0 464.658 4.322 20 30 JIEDRO CCOC(=O)N1CCC(NC(=O)CCC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000849070558 1067796179 /nfs/dbraw/zinc/79/61/79/1067796179.db2.gz TTZSPUXOSQREDP-UHFFFAOYSA-N 1 0 479.625 4.070 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001300274557 1068057600 /nfs/dbraw/zinc/05/76/00/1068057600.db2.gz LFFAYNCXMUJNIC-UNMCSNQZSA-N 1 0 467.658 4.382 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001300276683 1068060713 /nfs/dbraw/zinc/06/07/13/1068060713.db2.gz PJIPYJCZIBQWNV-DYESRHJHSA-N 1 0 497.441 4.339 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)s2)cc1 ZINC000491725290 1068068403 /nfs/dbraw/zinc/06/84/03/1068068403.db2.gz YUGHJSCUCAWULI-OAQYLSRUSA-N 1 0 478.647 4.388 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001300285210 1068082877 /nfs/dbraw/zinc/08/28/77/1068082877.db2.gz YGERDVKYKJVWHA-OAHLLOKOSA-N 1 0 472.353 4.440 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CCc2sccc2C1 ZINC001300286350 1068086171 /nfs/dbraw/zinc/08/61/71/1068086171.db2.gz ILBXETILKMGSRU-HNNXBMFYSA-N 1 0 488.430 4.424 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300292018 1068097538 /nfs/dbraw/zinc/09/75/38/1068097538.db2.gz WJFHNNNKIRCJNP-ROUUACIJSA-N 1 0 474.447 4.295 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300313357 1068202324 /nfs/dbraw/zinc/20/23/24/1068202324.db2.gz GGRQDKANLHOGDP-JOCHJYFZSA-N 1 0 451.684 4.387 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300319497 1068229108 /nfs/dbraw/zinc/22/91/08/1068229108.db2.gz BPDUOTIBGIRGRT-XJUOHMSHSA-N 1 0 490.677 4.028 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001300329854 1068267539 /nfs/dbraw/zinc/26/75/39/1068267539.db2.gz SQNNWKICBFRPQN-UGKGYDQZSA-N 1 0 484.620 4.079 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001300331620 1068276543 /nfs/dbraw/zinc/27/65/43/1068276543.db2.gz NHQJPWNLJNDCBR-WTYVLRPYSA-N 1 0 488.636 4.413 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001300332172 1068280443 /nfs/dbraw/zinc/28/04/43/1068280443.db2.gz ZBTJYUIIUGIGAR-NRFANRHFSA-N 1 0 450.631 4.112 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001300334213 1068299156 /nfs/dbraw/zinc/29/91/56/1068299156.db2.gz IJSJHKMYKQSTJH-XMMPIXPASA-N 1 0 464.658 4.043 20 30 JIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000520131459 1068320659 /nfs/dbraw/zinc/32/06/59/1068320659.db2.gz SNFORZAGPSQBME-UHFFFAOYSA-N 1 0 470.599 4.437 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001300349154 1068354371 /nfs/dbraw/zinc/35/43/71/1068354371.db2.gz WIPZLMLDYUHOME-GOSISDBHSA-N 1 0 462.425 4.214 20 30 JIEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001300349549 1068356535 /nfs/dbraw/zinc/35/65/35/1068356535.db2.gz UNVYORXQNGGNQP-UHFFFAOYSA-N 1 0 462.686 4.306 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCC[NH+]1CCCCC1 ZINC001358870172 1068363848 /nfs/dbraw/zinc/36/38/48/1068363848.db2.gz HILFYAQNBUBPDG-JOCHJYFZSA-N 1 0 450.631 4.261 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001358874666 1068368566 /nfs/dbraw/zinc/36/85/66/1068368566.db2.gz AHGVRNMQWZBFCK-LEWJYISDSA-N 1 0 491.709 4.109 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358875636 1068371728 /nfs/dbraw/zinc/37/17/28/1068371728.db2.gz TYCZOSKJQLPZEE-FXAWDEMLSA-N 1 0 473.463 4.301 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](c1ccco1)[NH+](C)C ZINC001358880670 1068379907 /nfs/dbraw/zinc/37/99/07/1068379907.db2.gz QNFQQRRLPLTFEX-KBXCAEBGSA-N 1 0 460.351 4.201 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358888159 1068384669 /nfs/dbraw/zinc/38/46/69/1068384669.db2.gz IDDJSDDKLAHAFN-ICSRJNTNSA-N 1 0 486.686 4.215 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358888900 1068386094 /nfs/dbraw/zinc/38/60/94/1068386094.db2.gz UBIDVIJYVXCENB-CWBXHPNXSA-N 1 0 486.705 4.219 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001358889257 1068387314 /nfs/dbraw/zinc/38/73/14/1068387314.db2.gz ZOSGSBNOSPILOZ-FKBYEOEOSA-N 1 0 496.656 4.281 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358897230 1068391949 /nfs/dbraw/zinc/39/19/49/1068391949.db2.gz VRAIBHLPTMNIOM-QFBILLFUSA-N 1 0 488.455 4.442 20 30 JIEDRO 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 ZINC001358898827 1068394262 /nfs/dbraw/zinc/39/42/62/1068394262.db2.gz BALXVOZJQUOJLG-NJYVYQBISA-N 1 0 472.678 4.319 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001358899458 1068395403 /nfs/dbraw/zinc/39/54/03/1068395403.db2.gz NPDSOPIYDRLEKP-QPPBQGQZSA-N 1 0 492.668 4.256 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001358901786 1068401941 /nfs/dbraw/zinc/40/19/41/1068401941.db2.gz WSGPESPPKSGUCR-WIYYLYMNSA-N 1 0 464.639 4.212 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001358901899 1068402021 /nfs/dbraw/zinc/40/20/21/1068402021.db2.gz ZLIBKXQABDPHBM-GOTSBHOMSA-N 1 0 499.663 4.154 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001358903025 1068406335 /nfs/dbraw/zinc/40/63/35/1068406335.db2.gz IYBFAWMIYNKECD-RTWAWAEBSA-N 1 0 490.677 4.107 20 30 JIEDRO C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001358903560 1068407915 /nfs/dbraw/zinc/40/79/15/1068407915.db2.gz BHAATKQQBFWPMX-HSZRJFAPSA-N 1 0 462.642 4.263 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001358907476 1068421066 /nfs/dbraw/zinc/42/10/66/1068421066.db2.gz QLMNDPFYHLBSOE-UHFFFAOYSA-N 1 0 459.997 4.090 20 30 JIEDRO C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001358908538 1068427676 /nfs/dbraw/zinc/42/76/76/1068427676.db2.gz AJNPURUGFDEJDT-UHFFFAOYSA-N 1 0 474.447 4.058 20 30 JIEDRO C#CCCCCn1c(COc2ccccc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001358917305 1068447207 /nfs/dbraw/zinc/44/72/07/1068447207.db2.gz NBJJRKVYBULNKS-UHFFFAOYSA-N 1 0 451.615 4.124 20 30 JIEDRO C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001358923661 1068465699 /nfs/dbraw/zinc/46/56/99/1068465699.db2.gz WKXXDECCGPRBRD-OAQYLSRUSA-N 1 0 488.474 4.367 20 30 JIEDRO C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300383926 1068475132 /nfs/dbraw/zinc/47/51/32/1068475132.db2.gz JUFLDBSISFQJRZ-BDTNDASRSA-N 1 0 483.632 4.296 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358941567 1068493390 /nfs/dbraw/zinc/49/33/90/1068493390.db2.gz PGXRVYNHPSJXQU-UHFFFAOYSA-N 1 0 460.420 4.050 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001358942064 1068494061 /nfs/dbraw/zinc/49/40/61/1068494061.db2.gz IBQHHICKUMSVAO-INIZCTEOSA-N 1 0 450.450 4.493 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358943208 1068496349 /nfs/dbraw/zinc/49/63/49/1068496349.db2.gz ZWGTXESMORHOHM-LJQANCHMSA-N 1 0 458.448 4.453 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001358947728 1068499936 /nfs/dbraw/zinc/49/99/36/1068499936.db2.gz JUWMAQFCAOIBNC-FCHUYYIVSA-N 1 0 496.656 4.282 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358972337 1068517201 /nfs/dbraw/zinc/51/72/01/1068517201.db2.gz BELAWHBRKINGQL-JOCHJYFZSA-N 1 0 470.459 4.455 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001358974102 1068522641 /nfs/dbraw/zinc/52/26/41/1068522641.db2.gz QWIATULWTBQJDG-GOSISDBHSA-N 1 0 472.406 4.042 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358974881 1068524596 /nfs/dbraw/zinc/52/45/96/1068524596.db2.gz VGURSAPNYCIXND-DVECYGJZSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001358980357 1068527260 /nfs/dbraw/zinc/52/72/60/1068527260.db2.gz SFPAABIVBNTISS-JOCHJYFZSA-N 1 0 464.038 4.494 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC[NH+](C2CC2)CC1 ZINC001358982813 1068529733 /nfs/dbraw/zinc/52/97/33/1068529733.db2.gz LKWQQZOXQKQVAW-UHFFFAOYSA-N 1 0 472.420 4.111 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001358982685 1068529820 /nfs/dbraw/zinc/52/98/20/1068529820.db2.gz GWQWIMUTDGOJRG-QHCPKHFHSA-N 1 0 454.018 4.094 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001358989684 1068550788 /nfs/dbraw/zinc/55/07/88/1068550788.db2.gz MQPNRAPNRPISAJ-OAQYLSRUSA-N 1 0 496.453 4.196 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358989929 1068552193 /nfs/dbraw/zinc/55/21/93/1068552193.db2.gz UOJGNIAVGOEQKS-JOCHJYFZSA-N 1 0 454.622 4.467 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358997680 1068564250 /nfs/dbraw/zinc/56/42/50/1068564250.db2.gz AQYWUZJOFOJTKE-HSZRJFAPSA-N 1 0 463.601 4.256 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358998040 1068565631 /nfs/dbraw/zinc/56/56/31/1068565631.db2.gz NSYPUVNIWRRVJU-VWLOTQADSA-N 1 0 459.638 4.426 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358998261 1068566509 /nfs/dbraw/zinc/56/65/09/1068566509.db2.gz XMWYJAJCTDAOKN-QDPGVEIFSA-N 1 0 461.654 4.393 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001359001989 1068571885 /nfs/dbraw/zinc/57/18/85/1068571885.db2.gz JIVAQMUVXXJSDV-UHFFFAOYSA-N 1 0 483.458 4.394 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359003227 1068576185 /nfs/dbraw/zinc/57/61/85/1068576185.db2.gz CYIHCKFISCUIIP-HDICACEKSA-N 1 0 474.447 4.055 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001359003053 1068576311 /nfs/dbraw/zinc/57/63/11/1068576311.db2.gz WOZMYWZDVXMDBR-QGZVFWFLSA-N 1 0 450.400 4.283 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359003392 1068577379 /nfs/dbraw/zinc/57/73/79/1068577379.db2.gz JDWXRFDOJYCAHQ-IYBDPMFKSA-N 1 0 480.476 4.116 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359014399 1068591839 /nfs/dbraw/zinc/59/18/39/1068591839.db2.gz IBLZVFUYZLMYGG-VSKRKVRLSA-N 1 0 472.678 4.178 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001359020539 1068617371 /nfs/dbraw/zinc/61/73/71/1068617371.db2.gz HCNNMVBKHRIRNL-XMMPIXPASA-N 1 0 451.659 4.449 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CC[NH+](CCC)CC1 ZINC001359021034 1068621129 /nfs/dbraw/zinc/62/11/29/1068621129.db2.gz ZMOYEVWVVIAUPH-UHFFFAOYSA-N 1 0 488.474 4.224 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001359021996 1068624906 /nfs/dbraw/zinc/62/49/06/1068624906.db2.gz JCGYUIWEVFLVFZ-OAQYLSRUSA-N 1 0 498.425 4.224 20 30 JIEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359037051 1068649196 /nfs/dbraw/zinc/64/91/96/1068649196.db2.gz SRDPAQLPFYWQMO-DEOSSOPVSA-N 1 0 497.112 4.422 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359049617 1068668223 /nfs/dbraw/zinc/66/82/23/1068668223.db2.gz STOYOQPFCIRKSF-BJLQDIEVSA-N 1 0 460.047 4.111 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359049618 1068668831 /nfs/dbraw/zinc/66/88/31/1068668831.db2.gz STOYOQPFCIRKSF-CMKODMSKSA-N 1 0 460.047 4.111 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001300438042 1068704457 /nfs/dbraw/zinc/70/44/57/1068704457.db2.gz DWMFXBUWHQUWCG-IBGZPJMESA-N 1 0 475.822 4.072 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001300438505 1068705593 /nfs/dbraw/zinc/70/55/93/1068705593.db2.gz MUADXAZZSOWTMB-GOSISDBHSA-N 1 0 461.433 4.250 20 30 JIEDRO C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001300438800 1068706954 /nfs/dbraw/zinc/70/69/54/1068706954.db2.gz WRCLFPCDFOINHD-KRWDZBQOSA-N 1 0 458.031 4.384 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001359065272 1068708573 /nfs/dbraw/zinc/70/85/73/1068708573.db2.gz MLHGNHLGNICHRN-FKIGELJASA-N 1 0 462.686 4.086 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300439385 1068708514 /nfs/dbraw/zinc/70/85/14/1068708514.db2.gz DAEJUDAWOINEPY-NRFANRHFSA-N 1 0 474.447 4.296 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001300441288 1068716363 /nfs/dbraw/zinc/71/63/63/1068716363.db2.gz JDXLUQYHHIUOBU-QGZVFWFLSA-N 1 0 474.428 4.150 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCOCC[NH+](CC)CC ZINC001359068004 1068718480 /nfs/dbraw/zinc/71/84/80/1068718480.db2.gz KOAQFAHKYOTUDT-HSZRJFAPSA-N 1 0 474.447 4.058 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001359073421 1068727090 /nfs/dbraw/zinc/72/70/90/1068727090.db2.gz OSORKDGZLALLFI-MUUNZHRXSA-N 1 0 479.669 4.128 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001359074155 1068729787 /nfs/dbraw/zinc/72/97/87/1068729787.db2.gz SVEILVLPRKEGBC-HFZDXXHNSA-N 1 0 451.615 4.122 20 30 JIEDRO C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001359077459 1068735989 /nfs/dbraw/zinc/73/59/89/1068735989.db2.gz CTQNXFFHGVSWLO-IBGZPJMESA-N 1 0 484.483 4.003 20 30 JIEDRO C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359077910 1068737585 /nfs/dbraw/zinc/73/75/85/1068737585.db2.gz OBEBIRKWZZJFJZ-ULQDDVLXSA-N 1 0 464.383 4.139 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300446812 1068738125 /nfs/dbraw/zinc/73/81/25/1068738125.db2.gz UCUUVPNOIGPZNK-FQEVSTJZSA-N 1 0 453.612 4.175 20 30 JIEDRO CCCCCCCCCCCCNC(=S)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001200503638 1068766759 /nfs/dbraw/zinc/76/67/59/1068766759.db2.gz WGXCMWCEWFEBOT-UHFFFAOYSA-N 1 0 465.708 4.120 20 30 JIEDRO C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001300458985 1068788586 /nfs/dbraw/zinc/78/85/86/1068788586.db2.gz OJBGSPHVBKIGFQ-UHFFFAOYSA-N 1 0 472.678 4.117 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359093511 1068794769 /nfs/dbraw/zinc/79/47/69/1068794769.db2.gz OQDHIRRSXXPCPU-BKULYWANSA-N 1 0 453.631 4.103 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300475050 1068822578 /nfs/dbraw/zinc/82/25/78/1068822578.db2.gz CJVALCZXJDLFSS-IRXDYDNUSA-N 1 0 450.414 4.354 20 30 JIEDRO C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359121206 1068832585 /nfs/dbraw/zinc/83/25/85/1068832585.db2.gz BICKMRMGSWFYFH-NHCUHLMSSA-N 1 0 458.651 4.033 20 30 JIEDRO C=C(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359125840 1068836354 /nfs/dbraw/zinc/83/63/54/1068836354.db2.gz VNCHAXMJYSNZSG-BGYRXZFFSA-N 1 0 486.686 4.051 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359129919 1068841476 /nfs/dbraw/zinc/84/14/76/1068841476.db2.gz RRDQVUJXEUNDQU-ZWKOTPCHSA-N 1 0 492.462 4.228 20 30 JIEDRO C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001359134788 1068844659 /nfs/dbraw/zinc/84/46/59/1068844659.db2.gz HMNHUMATKUUNFG-UHFFFAOYSA-N 1 0 451.640 4.235 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359136187 1068845861 /nfs/dbraw/zinc/84/58/61/1068845861.db2.gz BUKBPEQWBPBASI-QHCPKHFHSA-N 1 0 453.631 4.131 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001359136918 1068847117 /nfs/dbraw/zinc/84/71/17/1068847117.db2.gz YYHWVWREYJKCHG-HKUYNNGSSA-N 1 0 480.440 4.430 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359146329 1068858818 /nfs/dbraw/zinc/85/88/18/1068858818.db2.gz VHJAOMTZMQHHPY-UHFFFAOYSA-N 1 0 456.791 4.377 20 30 JIEDRO C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC001359158193 1068869926 /nfs/dbraw/zinc/86/99/26/1068869926.db2.gz JAAZIJURDTWRAJ-XMMPIXPASA-N 1 0 480.657 4.199 20 30 JIEDRO C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001359160502 1068871048 /nfs/dbraw/zinc/87/10/48/1068871048.db2.gz WQRWQYUPAJMWCU-JYFHCDHNSA-N 1 0 453.631 4.170 20 30 JIEDRO 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C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001359173797 1068885874 /nfs/dbraw/zinc/88/58/74/1068885874.db2.gz ONEWWMZKGIJTND-KOSHJBKYSA-N 1 0 459.635 4.397 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001359175839 1068888789 /nfs/dbraw/zinc/88/87/89/1068888789.db2.gz BREPYLDNICOXDK-UHFFFAOYSA-N 1 0 492.487 4.167 20 30 JIEDRO C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359183933 1068910361 /nfs/dbraw/zinc/91/03/61/1068910361.db2.gz YDNOGJYGOPSICN-UHFFFAOYSA-N 1 0 473.065 4.384 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359184940 1068915711 /nfs/dbraw/zinc/91/57/11/1068915711.db2.gz GIWMTNHOYXOVBR-HXUWFJFHSA-N 1 0 453.631 4.246 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001359187534 1068921983 /nfs/dbraw/zinc/92/19/83/1068921983.db2.gz PPDQGORCSJHQKQ-DHIUTWEWSA-N 1 0 465.690 4.246 20 30 JIEDRO 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C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001300556140 1069011842 /nfs/dbraw/zinc/01/18/42/1069011842.db2.gz CRKMXZQKKKIGNZ-NRFANRHFSA-N 1 0 451.590 4.285 20 30 JIEDRO C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359223378 1069014013 /nfs/dbraw/zinc/01/40/13/1069014013.db2.gz JLJCHQJKISGGGG-UHFFFAOYSA-N 1 0 481.685 4.384 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300559113 1069023968 /nfs/dbraw/zinc/02/39/68/1069023968.db2.gz JJXSBVJJZMPQTL-NRFANRHFSA-N 1 0 456.432 4.147 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[N@@H+](CC)C1CC1 ZINC001300559533 1069026162 /nfs/dbraw/zinc/02/61/62/1069026162.db2.gz SCDAGNKXQDGWCL-UHFFFAOYSA-N 1 0 454.622 4.300 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300562710 1069038005 /nfs/dbraw/zinc/03/80/05/1069038005.db2.gz LPBLTDHORDJWLG-LZCXECNNSA-N 1 0 450.631 4.128 20 30 JIEDRO C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359237973 1069038318 /nfs/dbraw/zinc/03/83/18/1069038318.db2.gz UQXLVBNHHCSMLY-OAQYLSRUSA-N 1 0 477.638 4.223 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300569845 1069073294 /nfs/dbraw/zinc/07/32/94/1069073294.db2.gz UNVYKDPKFNTTIL-HXUWFJFHSA-N 1 0 496.409 4.075 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001300583722 1069127137 /nfs/dbraw/zinc/12/71/37/1069127137.db2.gz KLSFKCRBIVCGEJ-QHCPKHFHSA-N 1 0 463.532 4.040 20 30 JIEDRO C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC(C)C)[NH+](C)C)C1CC1 ZINC001359253948 1069208645 /nfs/dbraw/zinc/20/86/45/1069208645.db2.gz ZPXCJWWTZVLQFV-RTWAWAEBSA-N 1 0 460.667 4.481 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001300612196 1069220634 /nfs/dbraw/zinc/22/06/34/1069220634.db2.gz WATHMYKBSRZYHV-LJQANCHMSA-N 1 0 456.388 4.371 20 30 JIEDRO 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C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001300626279 1069259561 /nfs/dbraw/zinc/25/95/61/1069259561.db2.gz QJXZJVJZUNOFGB-UHFFFAOYSA-N 1 0 474.694 4.361 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCOCC1 ZINC001359259353 1069277499 /nfs/dbraw/zinc/27/74/99/1069277499.db2.gz TVEMUVVQCKUHGW-UHFFFAOYSA-N 1 0 451.640 4.234 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001359263279 1069292438 /nfs/dbraw/zinc/29/24/38/1069292438.db2.gz WQSQESPYRRIAIQ-UHFFFAOYSA-N 1 0 454.669 4.422 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359263951 1069294109 /nfs/dbraw/zinc/29/41/09/1069294109.db2.gz QJCKPIFNXJLSQT-SFTDATJTSA-N 1 0 480.682 4.406 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C ZINC001359265792 1069300243 /nfs/dbraw/zinc/30/02/43/1069300243.db2.gz LZFJKRDHPPGSAX-IRFCIJBXSA-N 1 0 486.686 4.035 20 30 JIEDRO 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COc1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c(Cl)n1 ZINC001165025502 721817205 /nfs/dbraw/zinc/81/72/05/721817205.db2.gz NBVJPJWIAMMHHS-QSFXBCCZSA-N 1 0 461.944 4.292 20 30 JIEDRO C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCO2 ZINC001164978108 722170260 /nfs/dbraw/zinc/17/02/60/722170260.db2.gz POLRKDNIYADFST-GCJKJVERSA-N 1 0 453.961 4.235 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001300644478 1069316660 /nfs/dbraw/zinc/31/66/60/1069316660.db2.gz XIYLFUGXVHEJLQ-ISJGIBHGSA-N 1 0 463.670 4.221 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001359279779 1069320472 /nfs/dbraw/zinc/32/04/72/1069320472.db2.gz SJACFOTXLMSSAA-UHFFFAOYSA-N 1 0 481.044 4.469 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300648284 1069325682 /nfs/dbraw/zinc/32/56/82/1069325682.db2.gz MSVWFWDMZFNWOH-NHCUHLMSSA-N 1 0 477.632 4.214 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300648471 1069326484 /nfs/dbraw/zinc/32/64/84/1069326484.db2.gz DYYYDUIEFFLWFG-QFIPXVFZSA-N 1 0 460.601 4.307 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300649891 1069330339 /nfs/dbraw/zinc/33/03/39/1069330339.db2.gz YEXCJDYSSXFBKQ-FUPPJEDESA-N 1 0 467.633 4.317 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300650029 1069330915 /nfs/dbraw/zinc/33/09/15/1069330915.db2.gz RFTHYIAIPOQKPU-WPFOTENUSA-N 1 0 467.633 4.319 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300657200 1069355801 /nfs/dbraw/zinc/35/58/01/1069355801.db2.gz WBZWWKFEMLLUKP-QGZVFWFLSA-N 1 0 494.865 4.179 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001300656276 1069351794 /nfs/dbraw/zinc/35/17/94/1069351794.db2.gz CFPRJOGUBFDMQW-HXUWFJFHSA-N 1 0 455.672 4.093 20 30 JIEDRO 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 ZINC001359311941 1069355752 /nfs/dbraw/zinc/35/57/52/1069355752.db2.gz LCSWBNYBYVAMLG-TYBLODHISA-N 1 0 494.684 4.297 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359315707 1069365256 /nfs/dbraw/zinc/36/52/56/1069365256.db2.gz AHAVPNXUUIBVRM-ICSRJNTNSA-N 1 0 460.022 4.120 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001359316184 1069367361 /nfs/dbraw/zinc/36/73/61/1069367361.db2.gz JNQWIQUBLKBAOE-FQEVSTJZSA-N 1 0 492.039 4.408 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359323259 1069375942 /nfs/dbraw/zinc/37/59/42/1069375942.db2.gz KSYBBANDOYMENG-JTHBVZDNSA-N 1 0 467.658 4.169 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359326433 1069383870 /nfs/dbraw/zinc/38/38/70/1069383870.db2.gz ZXNVTBPXEYDNRG-SFTDATJTSA-N 1 0 471.621 4.288 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300664960 1069384756 /nfs/dbraw/zinc/38/47/56/1069384756.db2.gz WLFCXAARYIWZNW-ZBLYBZFDSA-N 1 0 462.642 4.033 20 30 JIEDRO C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359341375 1069404987 /nfs/dbraw/zinc/40/49/87/1069404987.db2.gz VKNNEGDJDJTQIV-NFBKMPQASA-N 1 0 465.671 4.087 20 30 JIEDRO C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359344677 1069411840 /nfs/dbraw/zinc/41/18/40/1069411840.db2.gz GDCKYZMEDHDDBT-GMAHTHKFSA-N 1 0 454.688 4.274 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300677493 1069431106 /nfs/dbraw/zinc/43/11/06/1069431106.db2.gz XWLHPRPPKPVEOG-CJFMBICVSA-N 1 0 486.661 4.389 20 30 JIEDRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N)[N@H+](C)Cc1ccccc1 ZINC001359466933 1069602894 /nfs/dbraw/zinc/60/28/94/1069602894.db2.gz JXOOYPISLLSLDS-QZTJIDSGSA-N 1 0 484.446 4.162 20 30 JIEDRO CC(C)[NH+](CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N)C(C)C ZINC001359472472 1069621850 /nfs/dbraw/zinc/62/18/50/1069621850.db2.gz LYRZVRNYIRTFFH-FCHUYYIVSA-N 1 0 489.709 4.497 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C1CC1)[NH+](C)C ZINC001359476529 1069632939 /nfs/dbraw/zinc/63/29/39/1069632939.db2.gz GNBIRVNKPXLFAD-RDTXWAMCSA-N 1 0 451.402 4.100 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001359548683 1069856031 /nfs/dbraw/zinc/85/60/31/1069856031.db2.gz LZZMPYZCYKMGDM-NHCUHLMSSA-N 1 0 454.594 4.178 20 30 JIEDRO CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001359594340 1070041220 /nfs/dbraw/zinc/04/12/20/1070041220.db2.gz WTVCXUDCHKZPQI-UHFFFAOYSA-N 1 0 488.558 4.429 20 30 JIEDRO CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001359598711 1070055697 /nfs/dbraw/zinc/05/56/97/1070055697.db2.gz KTDIQRHYDSGQEH-QHCPKHFHSA-N 1 0 480.657 4.005 20 30 JIEDRO CC(C)=CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359613225 1070078401 /nfs/dbraw/zinc/07/84/01/1070078401.db2.gz QCDABIIFVPFKHX-ZRZAMGCNSA-N 1 0 492.668 4.411 20 30 JIEDRO CC(C)C(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001359646523 1070196413 /nfs/dbraw/zinc/19/64/13/1070196413.db2.gz ZNBKJULQBCYTAR-UHFFFAOYSA-N 1 0 477.701 4.455 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001359659001 1070261625 /nfs/dbraw/zinc/26/16/25/1070261625.db2.gz NLBFQZYKVYXONH-ZJSXRUAMSA-N 1 0 475.012 4.224 20 30 JIEDRO CC(C)[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001359663486 1070289034 /nfs/dbraw/zinc/28/90/34/1070289034.db2.gz QDNRSRVVJTVTCL-PKTZIBPZSA-N 1 0 499.704 4.253 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001315627924 1064773502 /nfs/dbraw/zinc/77/35/02/1064773502.db2.gz QUHFTZKBVMLTGN-SANMLTNESA-N 1 0 450.631 4.272 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001315665058 1064877927 /nfs/dbraw/zinc/87/79/27/1064877927.db2.gz PBKDFKCXYACNRI-DEOSSOPVSA-N 1 0 486.711 4.146 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001315704645 1064971824 /nfs/dbraw/zinc/97/18/24/1064971824.db2.gz ILZJWPMFCDGTEC-MOPGFXCFSA-N 1 0 472.609 4.042 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001315705044 1064973889 /nfs/dbraw/zinc/97/38/89/1064973889.db2.gz RAMIIROPXYMBBF-UHFFFAOYSA-N 1 0 473.625 4.046 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001315885806 1065333447 /nfs/dbraw/zinc/33/34/47/1065333447.db2.gz PJTHSNOTCFJJRH-IRLDBZIGSA-N 1 0 464.639 4.434 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001316085553 1065737266 /nfs/dbraw/zinc/73/72/66/1065737266.db2.gz BJMCGOWYHOIUGL-DEOSSOPVSA-N 1 0 466.674 4.468 20 30 JIEDRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1C ZINC001316126410 1065798473 /nfs/dbraw/zinc/79/84/73/1065798473.db2.gz WZTZYIQHQFDPDF-IOMROCGXSA-N 1 0 476.547 4.267 20 30 JIEDRO N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001316527381 1066543735 /nfs/dbraw/zinc/54/37/35/1066543735.db2.gz KMHDSVJCGRPTFB-NRFANRHFSA-N 1 0 478.414 4.134 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCCOC(F)(F)F)c1 ZINC001316528325 1066546077 /nfs/dbraw/zinc/54/60/77/1066546077.db2.gz COCFMNCADIWZHW-IBGZPJMESA-N 1 0 462.520 4.055 20 30 JIEDRO N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CCCCC[NH+]2CCCC2)C1 ZINC001316528719 1066546402 /nfs/dbraw/zinc/54/64/02/1066546402.db2.gz ZFSJDLMIINEDOV-HXUWFJFHSA-N 1 0 481.439 4.477 20 30 JIEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2)CC1 ZINC001318315357 1067013248 /nfs/dbraw/zinc/01/32/48/1067013248.db2.gz LCSCKGNFNNZHSL-UHFFFAOYSA-N 1 0 455.562 4.420 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001300690823 1067038606 /nfs/dbraw/zinc/03/86/06/1067038606.db2.gz KAGZOVDWECECDD-UHFFFAOYSA-N 1 0 492.712 4.247 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001300716914 1067095420 /nfs/dbraw/zinc/09/54/20/1067095420.db2.gz UPLKLKQRGYSDFV-CLJLJLNGSA-N 1 0 490.696 4.050 20 30 JIEDRO COC1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001300732601 1067172852 /nfs/dbraw/zinc/17/28/52/1067172852.db2.gz VMVGEOCGUCQUHG-UHFFFAOYSA-N 1 0 480.657 4.245 20 30 JIEDRO CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001300758293 1067290507 /nfs/dbraw/zinc/29/05/07/1067290507.db2.gz RLEHWQLQTCLKML-DEOSSOPVSA-N 1 0 450.631 4.190 20 30 JIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001322478986 1067298161 /nfs/dbraw/zinc/29/81/61/1067298161.db2.gz HTRYMZZCLUAXOI-UHFFFAOYSA-N 1 0 471.561 4.433 20 30 JIEDRO CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352176880 1067305789 /nfs/dbraw/zinc/30/57/89/1067305789.db2.gz SHLBYBRPHKSRTG-PKTZIBPZSA-N 1 0 456.631 4.477 20 30 JIEDRO C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001300765694 1067307818 /nfs/dbraw/zinc/30/78/18/1067307818.db2.gz INWDMGBLJVDGRU-QHCPKHFHSA-N 1 0 469.674 4.323 20 30 JIEDRO C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001300766118 1067309248 /nfs/dbraw/zinc/30/92/48/1067309248.db2.gz TUBMAGVARSWTAE-UHFFFAOYSA-N 1 0 451.684 4.246 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001300787020 1067350124 /nfs/dbraw/zinc/35/01/24/1067350124.db2.gz JFLTYMPIPLLKOZ-LZCXECNNSA-N 1 0 485.076 4.090 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001300030357 1067417993 /nfs/dbraw/zinc/41/79/93/1067417993.db2.gz GJHIFFGRMHPZBK-SFTDATJTSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001300118708 1067731818 /nfs/dbraw/zinc/73/18/18/1067731818.db2.gz FIXTVWXZMGKDNJ-HHHXNRCGSA-N 1 0 482.648 4.272 20 30 JIEDRO COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300119268 1067732947 /nfs/dbraw/zinc/73/29/47/1067732947.db2.gz QHLBRDFPZURVTH-RLWLMLJZSA-N 1 0 468.621 4.168 20 30 JIEDRO COc1ccc([C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)N2CCOCC2)cc1OC ZINC000849057830 1067788475 /nfs/dbraw/zinc/78/84/75/1067788475.db2.gz UHSGZDHMNLLQLR-QHCPKHFHSA-N 1 0 452.599 4.031 20 30 JIEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)CC2)c1 ZINC001300155306 1067811137 /nfs/dbraw/zinc/81/11/37/1067811137.db2.gz LJFGZNNMHGXJOM-JOCHJYFZSA-N 1 0 457.361 4.139 20 30 JIEDRO CCCCCCCCCCNC(=S)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001200211640 1067849580 /nfs/dbraw/zinc/84/95/80/1067849580.db2.gz SNNJIUSDKVWHSG-UHFFFAOYSA-N 1 0 480.763 4.037 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300298767 1068134106 /nfs/dbraw/zinc/13/41/06/1068134106.db2.gz HSAZKYQWUWXJSY-HYBUGGRVSA-N 1 0 489.668 4.204 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001300302909 1068147451 /nfs/dbraw/zinc/14/74/51/1068147451.db2.gz FINZPGWRMCGSMW-FCHUYYIVSA-N 1 0 489.668 4.178 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300320468 1068234160 /nfs/dbraw/zinc/23/41/60/1068234160.db2.gz IEBUWRBTBLBBGD-HXUWFJFHSA-N 1 0 474.634 4.160 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001300327329 1068256928 /nfs/dbraw/zinc/25/69/28/1068256928.db2.gz BPQCFKAMWVLMFY-NYVOZVTQSA-N 1 0 484.620 4.250 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001300331619 1068275893 /nfs/dbraw/zinc/27/58/93/1068275893.db2.gz NHQJPWNLJNDCBR-PIIWDFAUSA-N 1 0 488.636 4.413 20 30 JIEDRO CCCCCCCCCNC(=S)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC001200372619 1068290308 /nfs/dbraw/zinc/29/03/08/1068290308.db2.gz LQPPIOIIVCZCFB-MHZLTWQESA-N 1 0 485.742 4.111 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001300336255 1068311089 /nfs/dbraw/zinc/31/10/89/1068311089.db2.gz AVCICTFHNJTYLB-DEOSSOPVSA-N 1 0 490.677 4.431 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)s2)cc1 ZINC000521468309 1068334099 /nfs/dbraw/zinc/33/40/99/1068334099.db2.gz ZZYNNQLPMJZWPG-UHFFFAOYSA-N 1 0 456.641 4.432 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001358871866 1068366133 /nfs/dbraw/zinc/36/61/33/1068366133.db2.gz LIRBXBOJNQBYBO-PMACEKPBSA-N 1 0 472.033 4.174 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(SC)CC[NH+](C)CC1 ZINC001358872574 1068366471 /nfs/dbraw/zinc/36/64/71/1068366471.db2.gz WFDMDEFUCNZMGX-PZJWPPBQSA-N 1 0 455.672 4.320 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358875908 1068372794 /nfs/dbraw/zinc/37/27/94/1068372794.db2.gz YNVDIANAKXHVMO-KRWDZBQOSA-N 1 0 467.415 4.138 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001358876904 1068374736 /nfs/dbraw/zinc/37/47/36/1068374736.db2.gz SSURYVQJYYXKRG-MSOLQXFVSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001358879431 1068378385 /nfs/dbraw/zinc/37/83/85/1068378385.db2.gz QZPKGBFTDCAZLC-DFBJGRDBSA-N 1 0 465.623 4.012 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001358880672 1068379887 /nfs/dbraw/zinc/37/98/87/1068379887.db2.gz QNFQQRRLPLTFEX-KSSFIOAISA-N 1 0 460.351 4.201 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001358889096 1068386560 /nfs/dbraw/zinc/38/65/60/1068386560.db2.gz WZEWADOVGZYTNZ-RTWAWAEBSA-N 1 0 472.678 4.115 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001358903075 1068406254 /nfs/dbraw/zinc/40/62/54/1068406254.db2.gz KORXRAPXNTYQCH-JOCHJYFZSA-N 1 0 476.669 4.189 20 30 JIEDRO C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001358907046 1068419966 /nfs/dbraw/zinc/41/99/66/1068419966.db2.gz AYQPZDZARGUQKV-UHFFFAOYSA-N 1 0 462.686 4.306 20 30 JIEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001300370988 1068422805 /nfs/dbraw/zinc/42/28/05/1068422805.db2.gz KPIOALAVCROPIL-VWLOTQADSA-N 1 0 462.686 4.319 20 30 JIEDRO C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001358912030 1068433495 /nfs/dbraw/zinc/43/34/95/1068433495.db2.gz ICGNFPIYIHCVJL-UHFFFAOYSA-N 1 0 484.689 4.261 20 30 JIEDRO C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001358914244 1068439117 /nfs/dbraw/zinc/43/91/17/1068439117.db2.gz NDWFRTQSDMFPQV-UHFFFAOYSA-N 1 0 483.104 4.321 20 30 JIEDRO C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001358915088 1068440748 /nfs/dbraw/zinc/44/07/48/1068440748.db2.gz RJQBTUWFMMCAAM-UHFFFAOYSA-N 1 0 458.635 4.318 20 30 JIEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358938401 1068490193 /nfs/dbraw/zinc/49/01/93/1068490193.db2.gz AEOAMPUREHMHDM-NRFANRHFSA-N 1 0 474.609 4.238 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001358940752 1068491967 /nfs/dbraw/zinc/49/19/67/1068491967.db2.gz JYTMHIVENBEQMN-FQEVSTJZSA-N 1 0 455.404 4.188 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001358941112 1068492653 /nfs/dbraw/zinc/49/26/53/1068492653.db2.gz YROJSWJEVMFKAA-KRWDZBQOSA-N 1 0 455.404 4.016 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001358943400 1068496612 /nfs/dbraw/zinc/49/66/12/1068496612.db2.gz HULXMQOFKFBJSV-NHCUHLMSSA-N 1 0 453.631 4.178 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001358971154 1068513076 /nfs/dbraw/zinc/51/30/76/1068513076.db2.gz JSKXAIKQZLHSQW-UHFFFAOYSA-N 1 0 469.637 4.166 20 30 JIEDRO C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300393842 1068520541 /nfs/dbraw/zinc/52/05/41/1068520541.db2.gz HKIZAGURXVOBHK-UHFFFAOYSA-N 1 0 460.420 4.050 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358987872 1068544050 /nfs/dbraw/zinc/54/40/50/1068544050.db2.gz VQGRORHSUKNJJN-UHFFFAOYSA-N 1 0 498.469 4.444 20 30 JIEDRO C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359009280 1068584849 /nfs/dbraw/zinc/58/48/49/1068584849.db2.gz LYEKRRYUYSKUSW-FQEVSTJZSA-N 1 0 486.686 4.217 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359016255 1068597971 /nfs/dbraw/zinc/59/79/71/1068597971.db2.gz VRYCLPZYDSQKLS-QFIPXVFZSA-N 1 0 460.582 4.483 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001359016698 1068599807 /nfs/dbraw/zinc/59/98/07/1068599807.db2.gz KAXHRZJUALHRKI-VWNXMTODSA-N 1 0 453.606 4.216 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001359016757 1068601800 /nfs/dbraw/zinc/60/18/00/1068601800.db2.gz LJOBSOZQEUDBTK-QHCPKHFHSA-N 1 0 455.622 4.002 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001359019389 1068610832 /nfs/dbraw/zinc/61/08/32/1068610832.db2.gz UFZYPLISYHWMLI-JOCHJYFZSA-N 1 0 474.653 4.171 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359020538 1068617750 /nfs/dbraw/zinc/61/77/50/1068617750.db2.gz HCNNMVBKHRIRNL-DEOSSOPVSA-N 1 0 451.659 4.449 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359021468 1068623602 /nfs/dbraw/zinc/62/36/02/1068623602.db2.gz PUFRHOXTPCUOEC-KDYSTLNUSA-N 1 0 460.626 4.090 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001359022222 1068625433 /nfs/dbraw/zinc/62/54/33/1068625433.db2.gz RQKTYTOILAQARO-UHFFFAOYSA-N 1 0 465.001 4.036 20 30 JIEDRO C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001300419691 1068626163 /nfs/dbraw/zinc/62/61/63/1068626163.db2.gz QPERTQAXCJZFQF-RBBKRZOGSA-N 1 0 456.034 4.338 20 30 JIEDRO C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001300419692 1068626354 /nfs/dbraw/zinc/62/63/54/1068626354.db2.gz QPERTQAXCJZFQF-UNMCSNQZSA-N 1 0 456.034 4.338 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359033533 1068647921 /nfs/dbraw/zinc/64/79/21/1068647921.db2.gz FWXYCZSOZXUSTF-XMMPIXPASA-N 1 0 462.667 4.153 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001359048968 1068665112 /nfs/dbraw/zinc/66/51/12/1068665112.db2.gz FKQHVLKAVCAWIE-FQEVSTJZSA-N 1 0 471.646 4.378 20 30 JIEDRO C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359050224 1068670893 /nfs/dbraw/zinc/67/08/93/1068670893.db2.gz KDOVNKIOMAIQNJ-UHFFFAOYSA-N 1 0 476.694 4.497 20 30 JIEDRO C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001359050394 1068673745 /nfs/dbraw/zinc/67/37/45/1068673745.db2.gz PHAVNSJAXBEZLE-UHFFFAOYSA-N 1 0 476.488 4.385 20 30 JIEDRO C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359052952 1068682411 /nfs/dbraw/zinc/68/24/11/1068682411.db2.gz WDIFEHJMGWQUAX-UHFFFAOYSA-N 1 0 453.656 4.022 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359065571 1068708982 /nfs/dbraw/zinc/70/89/82/1068708982.db2.gz UPYNICBRUIKCKC-PMAPCBKXSA-N 1 0 473.463 4.159 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001300441393 1068717160 /nfs/dbraw/zinc/71/71/60/1068717160.db2.gz NAWPQQFUUHALFY-UHFFFAOYSA-N 1 0 492.849 4.075 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001359074599 1068731342 /nfs/dbraw/zinc/73/13/42/1068731342.db2.gz JVEUOKFTLBBQPW-YIXXDRMTSA-N 1 0 480.726 4.145 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359074814 1068731803 /nfs/dbraw/zinc/73/18/03/1068731803.db2.gz SCQOATFZNUKIEZ-FYQCMVGJSA-N 1 0 484.689 4.463 20 30 JIEDRO C=C(Br)Cn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001359083746 1068759426 /nfs/dbraw/zinc/75/94/26/1068759426.db2.gz QGEKEOYQEAOPFU-UHFFFAOYSA-N 1 0 473.463 4.103 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001359084034 1068760534 /nfs/dbraw/zinc/76/05/34/1068760534.db2.gz WTEHNIKHKNUUMU-PMACEKPBSA-N 1 0 466.468 4.377 20 30 JIEDRO C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359085290 1068764226 /nfs/dbraw/zinc/76/42/26/1068764226.db2.gz IJZPUXUKVJWEJI-QFIPXVFZSA-N 1 0 481.442 4.131 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001359091865 1068788037 /nfs/dbraw/zinc/78/80/37/1068788037.db2.gz UCQGKALGXRTTAA-DYRSVQDXSA-N 1 0 469.678 4.026 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359103790 1068810760 /nfs/dbraw/zinc/81/07/60/1068810760.db2.gz SJYATDBCSCCWAS-XAISMOLKSA-N 1 0 453.631 4.066 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001359107646 1068817466 /nfs/dbraw/zinc/81/74/66/1068817466.db2.gz RRJWOJQMCSCWIA-VWLOTQADSA-N 1 0 468.577 4.014 20 30 JIEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001359118751 1068829210 /nfs/dbraw/zinc/82/92/10/1068829210.db2.gz ATIRNYGHHYAWSJ-UHFFFAOYSA-N 1 0 463.504 4.358 20 30 JIEDRO C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359127595 1068837818 /nfs/dbraw/zinc/83/78/18/1068837818.db2.gz VCSHJCQWNGCVHQ-ZJOUEHCJSA-N 1 0 460.022 4.337 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001359147464 1068859760 /nfs/dbraw/zinc/85/97/60/1068859760.db2.gz HUVUZMAVXOCWJN-KRWDZBQOSA-N 1 0 482.854 4.397 20 30 JIEDRO C=C(Cl)Cn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001359156473 1068867664 /nfs/dbraw/zinc/86/76/64/1068867664.db2.gz HBJQQABHMWTRFR-XMMPIXPASA-N 1 0 466.070 4.164 20 30 JIEDRO C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001359160276 1068871094 /nfs/dbraw/zinc/87/10/94/1068871094.db2.gz QCMAJTLYBYQHMI-PXDATVDWSA-N 1 0 457.619 4.151 20 30 JIEDRO C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001359165436 1068876143 /nfs/dbraw/zinc/87/61/43/1068876143.db2.gz OWBQXUNMZFOTNG-JOCHJYFZSA-N 1 0 472.678 4.423 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001359168826 1068879213 /nfs/dbraw/zinc/87/92/13/1068879213.db2.gz KIRKIDCDSSUVLP-UHFFFAOYSA-N 1 0 493.483 4.348 20 30 JIEDRO C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001359169135 1068879672 /nfs/dbraw/zinc/87/96/72/1068879672.db2.gz VLVXWAVISASNFV-HXUWFJFHSA-N 1 0 475.106 4.406 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001359168941 1068879720 /nfs/dbraw/zinc/87/97/20/1068879720.db2.gz NVGDRLYDSBCBQM-VXKWHMMOSA-N 1 0 467.658 4.464 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCN(CC)CC2)CC1 ZINC001359174531 1068886664 /nfs/dbraw/zinc/88/66/64/1068886664.db2.gz GFJWMKDKHLFMPB-UHFFFAOYSA-N 1 0 457.066 4.419 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001359174759 1068887130 /nfs/dbraw/zinc/88/71/30/1068887130.db2.gz OFZNBXHMWCLZKR-NRFANRHFSA-N 1 0 469.630 4.248 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001359175340 1068888575 /nfs/dbraw/zinc/88/85/75/1068888575.db2.gz IKZVCMJQWSERSK-UHFFFAOYSA-N 1 0 474.447 4.221 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300511441 1068889196 /nfs/dbraw/zinc/88/91/96/1068889196.db2.gz IUCAVVUUIQLWDV-DENIHFKCSA-N 1 0 454.018 4.265 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001300511680 1068890190 /nfs/dbraw/zinc/89/01/90/1068890190.db2.gz BNBGUEOKDMNKED-UHFFFAOYSA-N 1 0 493.453 4.007 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001359176272 1068890124 /nfs/dbraw/zinc/89/01/24/1068890124.db2.gz RLWYWQUTIMGFPP-JOCHJYFZSA-N 1 0 453.631 4.485 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300512253 1068891600 /nfs/dbraw/zinc/89/16/00/1068891600.db2.gz SYTZHLAVEANFLU-IBGZPJMESA-N 1 0 484.442 4.054 20 30 JIEDRO C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001359177783 1068894805 /nfs/dbraw/zinc/89/48/05/1068894805.db2.gz BBJGJRNWSFCPOR-DEOSSOPVSA-N 1 0 453.631 4.301 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001300515940 1068898616 /nfs/dbraw/zinc/89/86/16/1068898616.db2.gz DKJYAGDKYPCCQP-GOSISDBHSA-N 1 0 474.472 4.497 20 30 JIEDRO C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001359182984 1068907881 /nfs/dbraw/zinc/90/78/81/1068907881.db2.gz ANYQORUKNDMQEK-UHFFFAOYSA-N 1 0 473.625 4.158 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001359188877 1068924164 /nfs/dbraw/zinc/92/41/64/1068924164.db2.gz WNEPYLGRGILJHS-DEOSSOPVSA-N 1 0 499.725 4.131 20 30 JIEDRO C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359190078 1068926959 /nfs/dbraw/zinc/92/69/59/1068926959.db2.gz DELHFRYFSYEWNF-UHFFFAOYSA-N 1 0 485.746 4.231 20 30 JIEDRO C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001359194331 1068956205 /nfs/dbraw/zinc/95/62/05/1068956205.db2.gz TXYLJJINZSLENV-HSZRJFAPSA-N 1 0 466.674 4.334 20 30 JIEDRO C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001300541258 1068973462 /nfs/dbraw/zinc/97/34/62/1068973462.db2.gz ONPYZJKDCGIIQT-ZJSXRUAMSA-N 1 0 472.662 4.007 20 30 JIEDRO C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001359205684 1068983601 /nfs/dbraw/zinc/98/36/01/1068983601.db2.gz GTNRPEXFSKLLIO-JOCHJYFZSA-N 1 0 453.631 4.211 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001300548570 1068991467 /nfs/dbraw/zinc/99/14/67/1068991467.db2.gz LBFJWZDGHRDXMZ-UHFFFAOYSA-N 1 0 461.654 4.349 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300548618 1068992369 /nfs/dbraw/zinc/99/23/69/1068992369.db2.gz MMVJZWXITUPARD-OALUTQOASA-N 1 0 474.436 4.357 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300548834 1068993609 /nfs/dbraw/zinc/99/36/09/1068993609.db2.gz QDPJUQNLUBNVLG-GOTSBHOMSA-N 1 0 461.654 4.249 20 30 JIEDRO C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001359219166 1069005593 /nfs/dbraw/zinc/00/55/93/1069005593.db2.gz IMTGMGJJDLGPPL-QFIPXVFZSA-N 1 0 453.631 4.130 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC[N@H+](C)C1CCCC1 ZINC001300559152 1069024322 /nfs/dbraw/zinc/02/43/22/1069024322.db2.gz KNLNNHHSBSLKDY-UHFFFAOYSA-N 1 0 454.416 4.045 20 30 JIEDRO C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359231947 1069029207 /nfs/dbraw/zinc/02/92/07/1069029207.db2.gz JPEYQSVLNXTAMF-IBGZPJMESA-N 1 0 460.022 4.339 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300561303 1069032498 /nfs/dbraw/zinc/03/24/98/1069032498.db2.gz NFVKPOIXNOJCLG-RTBURBONSA-N 1 0 486.433 4.430 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300565252 1069051008 /nfs/dbraw/zinc/05/10/08/1069051008.db2.gz NXWHRJGGWYVUPQ-UHFFFAOYSA-N 1 0 466.029 4.097 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001300565887 1069054295 /nfs/dbraw/zinc/05/42/95/1069054295.db2.gz YCFYZMWOBVDCNE-NRFANRHFSA-N 1 0 468.443 4.353 20 30 JIEDRO C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1CC[NH+](CC)CC1)C1CC1 ZINC001359245988 1069066833 /nfs/dbraw/zinc/06/68/33/1069066833.db2.gz LWOAJCBNXFHNIS-UHFFFAOYSA-N 1 0 450.631 4.424 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCC[N@H+](C)C(C)C ZINC001300569186 1069069946 /nfs/dbraw/zinc/06/99/46/1069069946.db2.gz FNNHDQSJBOSRDR-UHFFFAOYSA-N 1 0 460.395 4.040 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300595586 1069171418 /nfs/dbraw/zinc/17/14/18/1069171418.db2.gz DQIRICKHNRUBGN-DHMIZTNRSA-N 1 0 496.700 4.022 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)[NH+](C)C ZINC001359255720 1069236602 /nfs/dbraw/zinc/23/66/02/1069236602.db2.gz ITZAIXVBURGVNB-JOCHJYFZSA-N 1 0 494.441 4.440 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCC1 ZINC001359257086 1069252503 /nfs/dbraw/zinc/25/25/03/1069252503.db2.gz YQHAVDWQOQOPPC-UHFFFAOYSA-N 1 0 455.610 4.203 20 30 JIEDRO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849602710 1069260668 /nfs/dbraw/zinc/26/06/68/1069260668.db2.gz QBBZGGCIEOWQCC-RTBURBONSA-N 1 0 461.404 4.200 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1(SC)CC[NH+](C)CC1 ZINC001359259578 1069277377 /nfs/dbraw/zinc/27/73/77/1069277377.db2.gz ALCKSFHMIYSPRP-UHFFFAOYSA-N 1 0 468.646 4.443 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001359262187 1069287671 /nfs/dbraw/zinc/28/76/71/1069287671.db2.gz LBTCEZRWZFDFOR-RCZVLFRGSA-N 1 0 451.640 4.141 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359262661 1069290147 /nfs/dbraw/zinc/29/01/47/1069290147.db2.gz AKRSOGADDZFMOY-NHCUHLMSSA-N 1 0 466.655 4.402 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001359265227 1069299007 /nfs/dbraw/zinc/29/90/07/1069299007.db2.gz BMZGVJHQPLDVSJ-QFIPXVFZSA-N 1 0 483.661 4.029 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(N2CCC(c3nc(C)no3)CC2)nnc1C(C)(C)C)C(C)C ZINC001359265166 1069299076 /nfs/dbraw/zinc/29/90/76/1069299076.db2.gz AARVXPBWZQCKTF-OAQYLSRUSA-N 1 0 455.651 4.350 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C(C)C ZINC001359265301 1069299673 /nfs/dbraw/zinc/29/96/73/1069299673.db2.gz CNOPJBDLTXIUJX-GJZUVCINSA-N 1 0 469.678 4.019 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(C)C ZINC001359265479 1069300456 /nfs/dbraw/zinc/30/04/56/1069300456.db2.gz GQGJBCUJMMUXLY-VWNXMTODSA-N 1 0 466.674 4.114 20 30 JIEDRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C#N)c(Cl)nc4ccc(F)c(C)c43)CC2)CC1 ZINC001164618057 719036159 /nfs/dbraw/zinc/03/61/59/719036159.db2.gz ROKQZGSIGHFZNH-UHFFFAOYSA-N 1 0 458.965 4.451 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C#N)c4ccccc4n3)CC2)c2ccccc21 ZINC001164682049 719677667 /nfs/dbraw/zinc/67/76/67/719677667.db2.gz OYGQVUYUTFZWFS-OAQYLSRUSA-N 1 0 467.617 4.200 20 30 JIEDRO CCCc1cc(C#N)c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1Cl ZINC001164715496 720123657 /nfs/dbraw/zinc/12/36/57/720123657.db2.gz GLIVTJGXWHBNCD-JOCHJYFZSA-N 1 0 454.018 4.462 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@@H]21 ZINC001164838608 720549007 /nfs/dbraw/zinc/54/90/07/720549007.db2.gz OTFMDUFEDNPZPV-MSYCTHLASA-N 1 0 479.991 4.382 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838614 720549971 /nfs/dbraw/zinc/54/99/71/720549971.db2.gz OTFMDUFEDNPZPV-SFYKDHMMSA-N 1 0 479.991 4.382 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@@H]21 ZINC001164839783 720642269 /nfs/dbraw/zinc/64/22/69/720642269.db2.gz OOFLDPOIJVQBOM-URVUXULASA-N 1 0 478.000 4.368 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838749 720643876 /nfs/dbraw/zinc/64/38/76/720643876.db2.gz LLLMQSVVGPWESZ-RZUBCFFCSA-N 1 0 478.000 4.368 20 30 JIEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747748 720862048 /nfs/dbraw/zinc/86/20/48/720862048.db2.gz JRWXWUAKIATYMI-CBGDNZLLSA-N 1 0 482.419 4.384 20 30 JIEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)c(-c4ccccc4)cc3C#N)CC[C@@H]2C1 ZINC001164854874 720889568 /nfs/dbraw/zinc/88/95/68/720889568.db2.gz FTIJMJIYAATJMQ-SHQCIBLASA-N 1 0 468.601 4.461 20 30 JIEDRO N#Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164753813 720910895 /nfs/dbraw/zinc/91/08/95/720910895.db2.gz UFARYPSPTLNNLD-YWEHKCAJSA-N 1 0 453.590 4.257 20 30 JIEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754995 720932073 /nfs/dbraw/zinc/93/20/73/720932073.db2.gz XSRNEDPWFDYDRJ-XTEPFMGCSA-N 1 0 474.725 4.461 20 30 JIEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748052 720932889 /nfs/dbraw/zinc/93/28/89/720932889.db2.gz FLFVQIHGDIZSGT-CYFREDJKSA-N 1 0 472.420 4.410 20 30 JIEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)cc1C#N ZINC001164754268 720936642 /nfs/dbraw/zinc/93/66/42/720936642.db2.gz VSERCPKDGSRLLG-DHLKQENFSA-N 1 0 452.002 4.065 20 30 JIEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C3)O2)CC1 ZINC001164884362 721454171 /nfs/dbraw/zinc/45/41/71/721454171.db2.gz AUKLGHURNBSZGQ-XDHUDOTRSA-N 1 0 474.436 4.179 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164786578 721462525 /nfs/dbraw/zinc/46/25/25/721462525.db2.gz ONVLVKBKRGNBQO-UPVQGACJSA-N 1 0 493.627 4.005 20 30 JIEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164807407 721557350 /nfs/dbraw/zinc/55/73/50/721557350.db2.gz SXBLFTVMMIYANS-QPTUXGOLSA-N 1 0 478.959 4.071 20 30 JIEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909943 721565075 /nfs/dbraw/zinc/56/50/75/721565075.db2.gz VRWBIPCSRPVVAM-UYAOXDASSA-N 1 0 465.916 4.275 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300643075 1069311987 /nfs/dbraw/zinc/31/19/87/1069311987.db2.gz HAGNXJNNOKBYBF-VQTJNVASSA-N 1 0 472.659 4.174 20 30 JIEDRO C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359283193 1069324160 /nfs/dbraw/zinc/32/41/60/1069324160.db2.gz AUSAGUXGEKGQKV-HXUWFJFHSA-N 1 0 474.049 4.423 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300649371 1069328564 /nfs/dbraw/zinc/32/85/64/1069328564.db2.gz VFMVFKDJORVMMY-QZNHQXDQSA-N 1 0 453.606 4.071 20 30 JIEDRO C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001359287042 1069332913 /nfs/dbraw/zinc/33/29/13/1069332913.db2.gz INUQDABHXWJIRS-QFIPXVFZSA-N 1 0 498.647 4.430 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300654728 1069346994 /nfs/dbraw/zinc/34/69/94/1069346994.db2.gz FHRIEWMWKYLHAH-QFIPXVFZSA-N 1 0 486.060 4.490 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001359322865 1069374613 /nfs/dbraw/zinc/37/46/13/1069374613.db2.gz DIYCIGFYXPBQGV-GOTSBHOMSA-N 1 0 466.655 4.026 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001359323344 1069375996 /nfs/dbraw/zinc/37/59/96/1069375996.db2.gz MKPLLLVBWVMIFL-VXKWHMMOSA-N 1 0 455.603 4.154 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359324709 1069379060 /nfs/dbraw/zinc/37/90/60/1069379060.db2.gz QUWIQXDDDCNUNB-ZEQRLZLVSA-N 1 0 467.658 4.376 20 30 JIEDRO C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359336875 1069394441 /nfs/dbraw/zinc/39/44/41/1069394441.db2.gz DPUHUGMUZOEZIA-IBGZPJMESA-N 1 0 492.089 4.292 20 30 JIEDRO C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001359336043 1069392668 /nfs/dbraw/zinc/39/26/68/1069392668.db2.gz CFKATGAWPFPYLR-IBGZPJMESA-N 1 0 482.698 4.377 20 30 JIEDRO C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359338629 1069398658 /nfs/dbraw/zinc/39/86/58/1069398658.db2.gz BVKGQJIGYCKNBX-SFHVURJKSA-N 1 0 480.053 4.205 20 30 JIEDRO 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 ZINC001359466662 1069602149 /nfs/dbraw/zinc/60/21/49/1069602149.db2.gz FPHHZUXYWUKBPY-OKZBNKHCSA-N 1 0 489.462 4.191 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC1CC[NH+](C2CC2)CC1 ZINC001359468744 1069612408 /nfs/dbraw/zinc/61/24/08/1069612408.db2.gz QUIVFTWSBRFYFV-AWEZNQCLSA-N 1 0 463.449 4.239 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001359534376 1069827261 /nfs/dbraw/zinc/82/72/61/1069827261.db2.gz UHNAIMJHMMJGOX-DQEYMECFSA-N 1 0 478.685 4.044 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCOCC1CC1 ZINC001359537074 1069831352 /nfs/dbraw/zinc/83/13/52/1069831352.db2.gz ITEFAPSJBSXIGF-UHFFFAOYSA-N 1 0 464.658 4.267 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001359658999 1070262167 /nfs/dbraw/zinc/26/21/67/1070262167.db2.gz NLBFQZYKVYXONH-URXFXBBRSA-N 1 0 475.012 4.224 20 30 JIEDRO CC(C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCCC1 ZINC001359665896 1070299240 /nfs/dbraw/zinc/29/92/40/1070299240.db2.gz IEPUBFNBOIJJGY-BVAGGSTKSA-N 1 0 450.631 4.150 20 30 JIEDRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)[NH+](C)C)c1 ZINC001315548310 1064559593 /nfs/dbraw/zinc/55/95/93/1064559593.db2.gz ZGUBACHGVXTWNS-XMMPIXPASA-N 1 0 459.598 4.090 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315663902 1064871583 /nfs/dbraw/zinc/87/15/83/1064871583.db2.gz HIAOTILYBROCHJ-HXUWFJFHSA-N 1 0 456.660 4.295 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001315705541 1064975063 /nfs/dbraw/zinc/97/50/63/1064975063.db2.gz PJAYEBRNQSCBLV-MUUNZHRXSA-N 1 0 494.684 4.493 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001315705542 1064975159 /nfs/dbraw/zinc/97/51/59/1064975159.db2.gz PJAYEBRNQSCBLV-NDEPHWFRSA-N 1 0 494.684 4.493 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(-c4cccc([N+](=O)[O-])c4)nnc3N(C)[C@H](C)CC#N)CCCC2)CC1 ZINC001315710344 1064986619 /nfs/dbraw/zinc/98/66/19/1064986619.db2.gz UOILMHIKDMYKLC-LJQANCHMSA-N 1 0 481.601 4.015 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315993660 1065570300 /nfs/dbraw/zinc/57/03/00/1065570300.db2.gz OXRDKMJQHFKTLO-GOTSBHOMSA-N 1 0 450.631 4.048 20 30 JIEDRO COCCO[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001316168100 1065839472 /nfs/dbraw/zinc/83/94/72/1065839472.db2.gz WJCXIJLSRIQJJV-QFIPXVFZSA-N 1 0 492.668 4.432 20 30 JIEDRO CSC1(Cn2c(C(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CC[NH+](C)CC1 ZINC001316400177 1066177641 /nfs/dbraw/zinc/17/76/41/1066177641.db2.gz YSCJVDYHRACJBY-UHFFFAOYSA-N 1 0 450.656 4.394 20 30 JIEDRO CS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001316430113 1066263156 /nfs/dbraw/zinc/26/31/56/1066263156.db2.gz KGFBSDGCGZUETB-QHCPKHFHSA-N 1 0 468.671 4.183 20 30 JIEDRO CSCCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316452511 1066335388 /nfs/dbraw/zinc/33/53/88/1066335388.db2.gz FFXLQGIXYITWBO-UHFFFAOYSA-N 1 0 468.671 4.041 20 30 JIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H]4CC(=O)N(c5ccc(C#N)cc5)C4)cc3)CC2)c1 ZINC001337979051 1066522245 /nfs/dbraw/zinc/52/22/45/1066522245.db2.gz KCEVCCULNOXIEX-RUZDIDTESA-N 1 0 493.611 4.181 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[NH+]2CCCC2)c1 ZINC001316529948 1066548644 /nfs/dbraw/zinc/54/86/44/1066548644.db2.gz RTBNYRBQPISVFR-UHFFFAOYSA-N 1 0 472.437 4.234 20 30 JIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(C4CCCC4)n3CCCOC(F)(F)F)CC2)cc1 ZINC001316533835 1066554355 /nfs/dbraw/zinc/55/43/55/1066554355.db2.gz FWRYDERYXPVPNQ-UHFFFAOYSA-N 1 0 476.547 4.446 20 30 JIEDRO Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001492541056 1066642830 /nfs/dbraw/zinc/64/28/30/1066642830.db2.gz CGHVCWAXGCQDTA-DEOSSOPVSA-N 1 0 450.631 4.416 20 30 JIEDRO C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001300709784 1067081011 /nfs/dbraw/zinc/08/10/11/1067081011.db2.gz GCEODKWAFDBLIG-UHFFFAOYSA-N 1 0 480.726 4.146 20 30 JIEDRO C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300743215 1067238072 /nfs/dbraw/zinc/23/80/72/1067238072.db2.gz JAVZXSDDQOMXQB-IBGZPJMESA-N 1 0 457.713 4.276 20 30 JIEDRO C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001300754498 1067280979 /nfs/dbraw/zinc/28/09/79/1067280979.db2.gz ARIBZBRMPYUZLX-UHFFFAOYSA-N 1 0 450.656 4.114 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001300783515 1067341170 /nfs/dbraw/zinc/34/11/70/1067341170.db2.gz YURYCBZLGDAZIP-NRFANRHFSA-N 1 0 462.642 4.499 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001300787010 1067350402 /nfs/dbraw/zinc/35/04/02/1067350402.db2.gz JFLTYMPIPLLKOZ-IPVFLDMMSA-N 1 0 485.076 4.090 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001300788166 1067353565 /nfs/dbraw/zinc/35/35/65/1067353565.db2.gz SMWWJUAPKKJVGE-RCXJIHSJSA-N 1 0 485.698 4.455 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001300790524 1067360392 /nfs/dbraw/zinc/36/03/92/1067360392.db2.gz RUIVJAXDMUNOOF-YADARESESA-N 1 0 459.997 4.087 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(Cc4ccccc4C)nnc3N(C)[C@H](C)CC#N)CCCC2)CC1 ZINC001300791518 1067362209 /nfs/dbraw/zinc/36/22/09/1067362209.db2.gz MMLKTSMGDMQNJP-JOCHJYFZSA-N 1 0 464.658 4.339 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC001300030644 1067419342 /nfs/dbraw/zinc/41/93/42/1067419342.db2.gz LELBGJFLNMIAET-HXUWFJFHSA-N 1 0 466.630 4.214 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC(C)(C#N)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300117662 1067728877 /nfs/dbraw/zinc/72/88/77/1067728877.db2.gz OLMJBXMRNLPVQR-UHFFFAOYSA-N 1 0 450.631 4.076 20 30 JIEDRO CCC[C@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001357607969 1067876739 /nfs/dbraw/zinc/87/67/39/1067876739.db2.gz KHYWCEUHRRXANC-XZOQPEGZSA-N 1 0 456.631 4.477 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001300265052 1068034359 /nfs/dbraw/zinc/03/43/59/1068034359.db2.gz NMKXYLIVIFLCSM-RBBKRZOGSA-N 1 0 466.630 4.259 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300276188 1068059618 /nfs/dbraw/zinc/05/96/18/1068059618.db2.gz IUMGSLAIGIIUKO-UGKGYDQZSA-N 1 0 451.615 4.217 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300276187 1068059707 /nfs/dbraw/zinc/05/97/07/1068059707.db2.gz IUMGSLAIGIIUKO-SIKLNZKXSA-N 1 0 451.615 4.217 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300276348 1068059744 /nfs/dbraw/zinc/05/97/44/1068059744.db2.gz LHERWODGGNJYEH-QRVBRYPASA-N 1 0 475.479 4.262 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300276945 1068060893 /nfs/dbraw/zinc/06/08/93/1068060893.db2.gz STRSFSPAVHCXDV-DLBZAZTESA-N 1 0 462.411 4.427 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300285317 1068083770 /nfs/dbraw/zinc/08/37/70/1068083770.db2.gz UCDNKBAYBIFXAA-AMGIVPHBSA-N 1 0 480.657 4.364 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300286837 1068086983 /nfs/dbraw/zinc/08/69/83/1068086983.db2.gz OKTIWSVOJBVOQQ-UNMCSNQZSA-N 1 0 453.631 4.463 20 30 JIEDRO 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ZINC001359087823 1068772350 /nfs/dbraw/zinc/77/23/50/1068772350.db2.gz RBDBSUZJXCESDJ-UHFFFAOYSA-N 1 0 462.436 4.385 20 30 JIEDRO C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300456345 1068775258 /nfs/dbraw/zinc/77/52/58/1068775258.db2.gz ZIDBJSGZMYGJCF-SFTDATJTSA-N 1 0 489.668 4.062 20 30 JIEDRO C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300456339 1068775451 /nfs/dbraw/zinc/77/54/51/1068775451.db2.gz ZIDBJSGZMYGJCF-NHCUHLMSSA-N 1 0 489.668 4.062 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359091577 1068787569 /nfs/dbraw/zinc/78/75/69/1068787569.db2.gz PAFRIMAOBKIKEQ-JTAQYXEDSA-N 1 0 471.621 4.459 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359102056 1068806541 /nfs/dbraw/zinc/80/65/41/1068806541.db2.gz VVOIYAVPYUEKOM-KOSHJBKYSA-N 1 0 459.585 4.095 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359102819 1068808157 /nfs/dbraw/zinc/80/81/57/1068808157.db2.gz GAXXMDWQGUVGLE-DHLKQENFSA-N 1 0 453.631 4.067 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359103335 1068809693 /nfs/dbraw/zinc/80/96/93/1068809693.db2.gz NAROTCFPDXPOBT-GBXCKJPGSA-N 1 0 474.049 4.270 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCCC1 ZINC001359111659 1068821624 /nfs/dbraw/zinc/82/16/24/1068821624.db2.gz INBZFPFYUSQTNY-OAQYLSRUSA-N 1 0 477.657 4.370 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300475998 1068824770 /nfs/dbraw/zinc/82/47/70/1068824770.db2.gz UULGJEKZRNGLPS-WZONZLPQSA-N 1 0 453.587 4.210 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300476226 1068825722 /nfs/dbraw/zinc/82/57/22/1068825722.db2.gz ZGFWILLWAOOAPG-DVECYGJZSA-N 1 0 465.623 4.080 20 30 JIEDRO C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001359137240 1068847379 /nfs/dbraw/zinc/84/73/79/1068847379.db2.gz JUIPTOPJIYMMRX-YTFSRNRJSA-N 1 0 459.679 4.102 20 30 JIEDRO C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359141476 1068851169 /nfs/dbraw/zinc/85/11/69/1068851169.db2.gz IEHQRJOURFDGGU-UHFFFAOYSA-N 1 0 477.440 4.069 20 30 JIEDRO C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359150725 1068862046 /nfs/dbraw/zinc/86/20/46/1068862046.db2.gz FHDZIWFGDONGRW-UHFFFAOYSA-N 1 0 467.058 4.112 20 30 JIEDRO C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359161032 1068872166 /nfs/dbraw/zinc/87/21/66/1068872166.db2.gz NNIQSEOSQIUWDM-NHCUHLMSSA-N 1 0 483.657 4.495 20 30 JIEDRO C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001359167663 1068877661 /nfs/dbraw/zinc/87/76/61/1068877661.db2.gz OZGPEERRTRXNRY-UHFFFAOYSA-N 1 0 488.076 4.255 20 30 JIEDRO C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001359169770 1068881127 /nfs/dbraw/zinc/88/11/27/1068881127.db2.gz VDBWTEQJEQGJEP-PUHATCMVSA-N 1 0 453.631 4.288 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300509507 1068884759 /nfs/dbraw/zinc/88/47/59/1068884759.db2.gz NPBFYCHWVNGTJQ-PMACEKPBSA-N 1 0 454.018 4.244 20 30 JIEDRO C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001359173798 1068885795 /nfs/dbraw/zinc/88/57/95/1068885795.db2.gz ONEWWMZKGIJTND-MHECFPHRSA-N 1 0 459.635 4.397 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359175732 1068888832 /nfs/dbraw/zinc/88/88/32/1068888832.db2.gz XHACBRKGQQNLFM-NRFANRHFSA-N 1 0 485.698 4.263 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300513298 1068893525 /nfs/dbraw/zinc/89/35/25/1068893525.db2.gz XXUYMMIUHNFRRW-KNQAVFIVSA-N 1 0 468.045 4.493 20 30 JIEDRO C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001359181705 1068904033 /nfs/dbraw/zinc/90/40/33/1068904033.db2.gz FBDMCXYPJKKQAX-UHFFFAOYSA-N 1 0 453.631 4.390 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001300520763 1068912210 /nfs/dbraw/zinc/91/22/10/1068912210.db2.gz OYGPOUXQKLKJAW-HXUWFJFHSA-N 1 0 453.377 4.023 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001359185986 1068918788 /nfs/dbraw/zinc/91/87/88/1068918788.db2.gz PWRNHFWUACQVRC-LJQANCHMSA-N 1 0 488.474 4.468 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300527350 1068931949 /nfs/dbraw/zinc/93/19/49/1068931949.db2.gz FXDAGJJISPEEFA-ZRZAMGCNSA-N 1 0 470.621 4.431 20 30 JIEDRO C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001359192835 1068948930 /nfs/dbraw/zinc/94/89/30/1068948930.db2.gz PNLZRAMAIVKJBC-DHIUTWEWSA-N 1 0 483.705 4.245 20 30 JIEDRO 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 1068949548 /nfs/dbraw/zinc/94/95/48/1068949548.db2.gz SPGWCBWJDHBBCU-CGXNFDGLSA-N 1 0 472.678 4.324 20 30 JIEDRO C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001359210361 1068993145 /nfs/dbraw/zinc/99/31/45/1068993145.db2.gz RASSHTNJWWVCQN-JOCHJYFZSA-N 1 0 487.490 4.279 20 30 JIEDRO C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359217268 1069001811 /nfs/dbraw/zinc/00/18/11/1069001811.db2.gz UMDSLBZXYLHDNV-OYRHEFFESA-N 1 0 472.628 4.108 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300556676 1069013682 /nfs/dbraw/zinc/01/36/82/1069013682.db2.gz LMSULHMVKBXJFB-YADHBBJMSA-N 1 0 451.590 4.285 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300556673 1069013988 /nfs/dbraw/zinc/01/39/88/1069013988.db2.gz LMSULHMVKBXJFB-FCHUYYIVSA-N 1 0 451.590 4.285 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300561285 1069032052 /nfs/dbraw/zinc/03/20/52/1069032052.db2.gz MZRBQAOVFJTJKA-UHFFFAOYSA-N 1 0 455.553 4.274 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359236002 1069035367 /nfs/dbraw/zinc/03/53/67/1069035367.db2.gz VVMBMCFGUNYWMO-KRWDZBQOSA-N 1 0 462.436 4.460 20 30 JIEDRO C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359236024 1069035939 /nfs/dbraw/zinc/03/59/39/1069035939.db2.gz WNZJHJMCVIEQSA-QGZVFWFLSA-N 1 0 462.436 4.459 20 30 JIEDRO C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001359240624 1069041960 /nfs/dbraw/zinc/04/19/60/1069041960.db2.gz UAAMUMGAXMTZBP-NRFANRHFSA-N 1 0 494.684 4.462 20 30 JIEDRO C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359245315 1069055534 /nfs/dbraw/zinc/05/55/34/1069055534.db2.gz KCGBXKNWQGOYQW-FGTMMUONSA-N 1 0 460.648 4.035 20 30 JIEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)c1 ZINC000849492150 1069059630 /nfs/dbraw/zinc/05/96/30/1069059630.db2.gz CFLSXMJKBZEBAV-KAYWLYCHSA-N 1 0 484.600 4.059 20 30 JIEDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849519492 1069111033 /nfs/dbraw/zinc/11/10/33/1069111033.db2.gz JUADCXFSRPRXSN-RPWUZVMVSA-N 1 0 475.568 4.462 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300583368 1069126190 /nfs/dbraw/zinc/12/61/90/1069126190.db2.gz GXKDFVUWDPXRBJ-UHFFFAOYSA-N 1 0 495.618 4.034 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300595636 1069171155 /nfs/dbraw/zinc/17/11/55/1069171155.db2.gz DQIRICKHNRUBGN-QKFCCHLXSA-N 1 0 496.700 4.022 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001300604681 1069195760 /nfs/dbraw/zinc/19/57/60/1069195760.db2.gz OPIWTIGXGFJVNY-NRFANRHFSA-N 1 0 469.431 4.361 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001300605179 1069197578 /nfs/dbraw/zinc/19/75/78/1069197578.db2.gz YNTMNEJWPCPWPV-JOCHJYFZSA-N 1 0 481.442 4.343 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300609784 1069212321 /nfs/dbraw/zinc/21/23/21/1069212321.db2.gz UXTMNLJNRUWSRH-UHFFFAOYSA-N 1 0 474.447 4.440 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300609855 1069212508 /nfs/dbraw/zinc/21/25/08/1069212508.db2.gz XSVXUXZSUJOGDB-IBGZPJMESA-N 1 0 462.411 4.427 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCC1CC[NH+](CC)CC1 ZINC001300609778 1069212665 /nfs/dbraw/zinc/21/26/65/1069212665.db2.gz USKIEHFTUSMPLR-UHFFFAOYSA-N 1 0 462.411 4.428 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359254058 1069216178 /nfs/dbraw/zinc/21/61/78/1069216178.db2.gz DALQBGKKEPVIQD-AREMUKBSSA-N 1 0 478.666 4.287 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359254694 1069224978 /nfs/dbraw/zinc/22/49/78/1069224978.db2.gz ABQVISTZEPODBW-LADGPHEKSA-N 1 0 467.658 4.494 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(SC)CC[NH+](C)CC1 ZINC001359256191 1069237220 /nfs/dbraw/zinc/23/72/20/1069237220.db2.gz XXOVDVMRULDNEA-UHFFFAOYSA-N 1 0 461.639 4.165 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359258223 1069268805 /nfs/dbraw/zinc/26/88/05/1069268805.db2.gz KCKKJRKACHSFST-XPNTWCBSSA-N 1 0 464.658 4.178 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300631277 1069278618 /nfs/dbraw/zinc/27/86/18/1069278618.db2.gz OXPIKZIVXJFWMB-IMSXRSKXSA-N 1 0 451.615 4.008 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300631276 1069278821 /nfs/dbraw/zinc/27/88/21/1069278821.db2.gz OXPIKZIVXJFWMB-HFMPRLQTSA-N 1 0 451.615 4.008 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001359261964 1069285991 /nfs/dbraw/zinc/28/59/91/1069285991.db2.gz BXYKRZGXQLHEMN-IBGZPJMESA-N 1 0 485.679 4.087 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001359262189 1069287854 /nfs/dbraw/zinc/28/78/54/1069287854.db2.gz LBTCEZRWZFDFOR-WIOPSUGQSA-N 1 0 451.640 4.141 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359263181 1069292165 /nfs/dbraw/zinc/29/21/65/1069292165.db2.gz SMLCEQZSTQJEAC-IBGZPJMESA-N 1 0 453.660 4.443 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)C(C)C ZINC001359264829 1069297147 /nfs/dbraw/zinc/29/71/47/1069297147.db2.gz QSQUYMOBSWRIFP-YADHBBJMSA-N 1 0 455.006 4.026 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(C)C ZINC001359265280 1069299823 /nfs/dbraw/zinc/29/98/23/1069299823.db2.gz CIOSJAAEMFTEQV-RBZQAINGSA-N 1 0 471.690 4.002 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C ZINC001359265824 1069300411 /nfs/dbraw/zinc/30/04/11/1069300411.db2.gz MOBBSJKHXIFMJB-FGZHOGPDSA-N 1 0 472.722 4.405 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)S[C@@H](C)C1)C(C)C ZINC001359265794 1069300494 /nfs/dbraw/zinc/30/04/94/1069300494.db2.gz LZFJKRDHPPGSAX-SVFBPWRDSA-N 1 0 486.686 4.035 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001359267340 1069303307 /nfs/dbraw/zinc/30/33/07/1069303307.db2.gz CSHJARSPAWELKN-VXKWHMMOSA-N 1 0 460.626 4.479 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001359267885 1069303959 /nfs/dbraw/zinc/30/39/59/1069303959.db2.gz VRPPQEHNGMZZHE-VWLOTQADSA-N 1 0 460.626 4.337 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001359269354 1069308126 /nfs/dbraw/zinc/30/81/26/1069308126.db2.gz YKORSZWSDNHLIF-QGZVFWFLSA-N 1 0 460.420 4.379 20 30 JIEDRO N#Cc1c(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1C(F)(F)F ZINC001164627857 719049559 /nfs/dbraw/zinc/04/95/59/719049559.db2.gz WJVBHFIVFYQAGL-KDOFPFPSSA-N 1 0 457.834 4.149 20 30 JIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1 ZINC001164664868 719359315 /nfs/dbraw/zinc/35/93/15/719359315.db2.gz QXIPZSLSGDRMML-LEAFIULHSA-N 1 0 474.653 4.409 20 30 JIEDRO Cc1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C#N ZINC001164679996 719658791 /nfs/dbraw/zinc/65/87/91/719658791.db2.gz BVKITJCXOWGAGD-IBGZPJMESA-N 1 0 466.029 4.009 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cc(Cl)c3C#N)CC2)c2ccccc21 ZINC001164682942 719681751 /nfs/dbraw/zinc/68/17/51/719681751.db2.gz DNHVORGNXGSUTN-QGZVFWFLSA-N 1 0 486.447 4.353 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164710608 720099938 /nfs/dbraw/zinc/09/99/38/720099938.db2.gz JYAUZYJCUGJRGC-SFHVURJKSA-N 1 0 461.944 4.054 20 30 JIEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1 ZINC001164829373 720357285 /nfs/dbraw/zinc/35/72/85/720357285.db2.gz RSFALRXPKRQRGS-UXHICEINSA-N 1 0 472.420 4.325 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164750384 720861775 /nfs/dbraw/zinc/86/17/75/720861775.db2.gz PQOWFSUPVSOYLN-NPPFBWRTSA-N 1 0 479.991 4.178 20 30 JIEDRO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755275 720872907 /nfs/dbraw/zinc/87/29/07/720872907.db2.gz VQVWAYGLFHADRW-SQJMNOBHSA-N 1 0 452.002 4.065 20 30 JIEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755499 720875223 /nfs/dbraw/zinc/87/52/23/720875223.db2.gz YAKSTBOVRUCRMY-GBXCKJPGSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164757427 720888347 /nfs/dbraw/zinc/88/83/47/720888347.db2.gz UPOYKSFMMXOSNB-QPPBQGQZSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751685 720890332 /nfs/dbraw/zinc/89/03/32/720890332.db2.gz DBRWFNLTWMFZHF-RDPSFJRHSA-N 1 0 472.420 4.410 20 30 JIEDRO N#Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164757900 720891047 /nfs/dbraw/zinc/89/10/47/720891047.db2.gz WGOPWJUNYKBKEX-LADGPHEKSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001164903120 721565522 /nfs/dbraw/zinc/56/55/22/721565522.db2.gz ARQMBVRVRAPFDW-RXVVDRJESA-N 1 0 465.916 4.275 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164803387 721592187 /nfs/dbraw/zinc/59/21/87/721592187.db2.gz HXOMMZYUMPWDAF-DPLHUUCSSA-N 1 0 465.960 4.471 20 30 JIEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(C#N)c3sc(-c4ccccc4)cc32)CC1 ZINC001165011638 721739102 /nfs/dbraw/zinc/73/91/02/721739102.db2.gz UAZJSSQJERSCQY-UHFFFAOYSA-N 1 0 459.619 4.358 20 30 JIEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001165053335 722005611 /nfs/dbraw/zinc/00/56/11/722005611.db2.gz NOVYVUOUQORFSR-DEOSSOPVSA-N 1 0 477.634 4.287 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300643169 1069312414 /nfs/dbraw/zinc/31/24/14/1069312414.db2.gz PYMZSIKAPOMHQE-SZPZYZBQSA-N 1 0 462.617 4.431 20 30 JIEDRO C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001359282527 1069323207 /nfs/dbraw/zinc/32/32/07/1069323207.db2.gz FNMMWCWJDXCBNN-ISKFKSNPSA-N 1 0 482.673 4.187 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001300647904 1069325225 /nfs/dbraw/zinc/32/52/25/1069325225.db2.gz CIOISEWCRFNGNH-DHIUTWEWSA-N 1 0 467.633 4.460 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300648288 1069325959 /nfs/dbraw/zinc/32/59/59/1069325959.db2.gz MSVWFWDMZFNWOH-OYRHEFFESA-N 1 0 477.632 4.214 20 30 JIEDRO C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001359284561 1069327730 /nfs/dbraw/zinc/32/77/30/1069327730.db2.gz XLWPGQSRAQZGNK-UHFFFAOYSA-N 1 0 476.419 4.459 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300649894 1069330034 /nfs/dbraw/zinc/33/00/34/1069330034.db2.gz YEXCJDYSSXFBKQ-QNWVGRARSA-N 1 0 467.633 4.317 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300650876 1069333417 /nfs/dbraw/zinc/33/34/17/1069333417.db2.gz ZFIDIHVRZWHPOA-VXKWHMMOSA-N 1 0 467.633 4.289 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300657410 1069357490 /nfs/dbraw/zinc/35/74/90/1069357490.db2.gz YLOQDYSHBYFHME-REWPJTCUSA-N 1 0 494.621 4.084 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)[C@@H](C)CC)C1 ZINC001359315171 1069363891 /nfs/dbraw/zinc/36/38/91/1069363891.db2.gz PDEQVJGNINOKEQ-JKSUJKDBSA-N 1 0 468.465 4.281 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001359323199 1069375572 /nfs/dbraw/zinc/37/55/72/1069375572.db2.gz JTBFKZKKJMOPLP-GGAORHGYSA-N 1 0 455.622 4.157 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001359326058 1069382608 /nfs/dbraw/zinc/38/26/08/1069382608.db2.gz RRZLTKQTHVFYOZ-RBBKRZOGSA-N 1 0 460.022 4.166 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc3cccnc32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300664857 1069384651 /nfs/dbraw/zinc/38/46/51/1069384651.db2.gz FXIUZMKHCIMYCR-ZBLYBZFDSA-N 1 0 460.626 4.090 20 30 JIEDRO C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359336876 1069394313 /nfs/dbraw/zinc/39/43/13/1069394313.db2.gz DPUHUGMUZOEZIA-LJQANCHMSA-N 1 0 492.089 4.292 20 30 JIEDRO 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 1069601467 /nfs/dbraw/zinc/60/14/67/1069601467.db2.gz FPHHZUXYWUKBPY-KURKYZTESA-N 1 0 489.462 4.191 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359467499 1069605335 /nfs/dbraw/zinc/60/53/35/1069605335.db2.gz SXMHVSWKDLLZEU-MGPUTAFESA-N 1 0 488.409 4.084 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359469103 1069613561 /nfs/dbraw/zinc/61/35/61/1069613561.db2.gz YLDYBUQFAJOIFL-VBKZILBWSA-N 1 0 497.894 4.394 20 30 JIEDRO 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 1069622810 /nfs/dbraw/zinc/62/28/10/1069622810.db2.gz AKXRULJHCYRLBK-PZJWPPBQSA-N 1 0 487.693 4.109 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359476374 1069631400 /nfs/dbraw/zinc/63/14/00/1069631400.db2.gz CMLRNEAPQNQKNJ-NYVOZVTQSA-N 1 0 499.635 4.388 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359476838 1069633836 /nfs/dbraw/zinc/63/38/36/1069633836.db2.gz LYSZTSQHRRPBCJ-PKTZIBPZSA-N 1 0 499.654 4.454 20 30 JIEDRO CC(C)(C)C1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001359498621 1069747742 /nfs/dbraw/zinc/74/77/42/1069747742.db2.gz HJBOTTPGFVFMLF-XMMPIXPASA-N 1 0 462.642 4.236 20 30 JIEDRO CC(C)(Cn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1)C[NH+]1CCCC1 ZINC001359598769 1070055484 /nfs/dbraw/zinc/05/54/84/1070055484.db2.gz MMMCIGJMLWKONU-UHFFFAOYSA-N 1 0 454.594 4.248 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1)[NH+]1CCCC1 ZINC001359657469 1070245057 /nfs/dbraw/zinc/24/50/57/1070245057.db2.gz IKJVXPMEXOZVLJ-HXUWFJFHSA-N 1 0 474.451 4.286 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1)[NH+]1CCOCC1 ZINC001359658998 1070261484 /nfs/dbraw/zinc/26/14/84/1070261484.db2.gz NLBFQZYKVYXONH-QPPBQGQZSA-N 1 0 475.012 4.224 20 30 JIEDRO CC(C)[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1)[NH+]1CCCC1 ZINC001359663484 1070288230 /nfs/dbraw/zinc/28/82/30/1070288230.db2.gz QDNRSRVVJTVTCL-DHIUTWEWSA-N 1 0 499.704 4.253 20 30 JIEDRO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC(C)(C#N)CC2)[NH+]2CCCC2)c1 ZINC001315546564 1064554302 /nfs/dbraw/zinc/55/43/02/1064554302.db2.gz IIESSYPILFELDX-QHCPKHFHSA-N 1 0 450.631 4.452 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001315622157 1064758216 /nfs/dbraw/zinc/75/82/16/1064758216.db2.gz MHNIHAZGNAWJBX-KYTVRQNUSA-N 1 0 468.621 4.076 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001315704622 1064971874 /nfs/dbraw/zinc/97/18/74/1064971874.db2.gz HQHABBZKKMFWFZ-RBUKOAKNSA-N 1 0 472.609 4.042 20 30 JIEDRO COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001315833052 1065201583 /nfs/dbraw/zinc/20/15/83/1065201583.db2.gz RWCRZOGSTPOLFU-HSZRJFAPSA-N 1 0 450.631 4.190 20 30 JIEDRO COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001315956519 1065502220 /nfs/dbraw/zinc/50/22/20/1065502220.db2.gz KKQPLXFOKRAEKN-UHFFFAOYSA-N 1 0 450.631 4.334 20 30 JIEDRO COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001316052454 1065678065 /nfs/dbraw/zinc/67/80/65/1065678065.db2.gz ROBIVOANMOMCNU-QFIPXVFZSA-N 1 0 494.684 4.349 20 30 JIEDRO COCC[N@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001316062063 1065699995 /nfs/dbraw/zinc/69/99/95/1065699995.db2.gz ACOVNODLOAEBJU-VWLOTQADSA-N 1 0 470.687 4.374 20 30 JIEDRO COCC[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cccs1 ZINC001316066061 1065704481 /nfs/dbraw/zinc/70/44/81/1065704481.db2.gz UCBCTQGTLLRSOE-NRFANRHFSA-N 1 0 450.612 4.188 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316100334 1065766625 /nfs/dbraw/zinc/76/66/25/1065766625.db2.gz NXRRVOZPYKPJHT-MOPGFXCFSA-N 1 0 489.462 4.194 20 30 JIEDRO CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC001316401691 1066179815 /nfs/dbraw/zinc/17/98/15/1066179815.db2.gz DUPLZTLEQFDMCX-IBGZPJMESA-N 1 0 478.588 4.423 20 30 JIEDRO 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C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359080154 1068749731 /nfs/dbraw/zinc/74/97/31/1068749731.db2.gz IDRCENYUOLXXRS-UHFFFAOYSA-N 1 0 460.420 4.317 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001359084406 1068761076 /nfs/dbraw/zinc/76/10/76/1068761076.db2.gz GPNMUYZAYNOCAZ-FQEVSTJZSA-N 1 0 476.419 4.010 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359084751 1068762506 /nfs/dbraw/zinc/76/25/06/1068762506.db2.gz QPHJGCGIYYJSTM-FQEVSTJZSA-N 1 0 476.419 4.010 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001300457506 1068781204 /nfs/dbraw/zinc/78/12/04/1068781204.db2.gz FLHLMRWFYAWUKN-SFTDATJTSA-N 1 0 498.697 4.361 20 30 JIEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359101344 1068805868 /nfs/dbraw/zinc/80/58/68/1068805868.db2.gz NGPVQCWLAZYZBP-ZJSXRUAMSA-N 1 0 458.050 4.424 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359104913 1068812482 /nfs/dbraw/zinc/81/24/82/1068812482.db2.gz HIGZYQJMKGCAGF-RDPSFJRHSA-N 1 0 471.671 4.091 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359108346 1068818163 /nfs/dbraw/zinc/81/81/63/1068818163.db2.gz KMKBJXYDCBDIRJ-OAQYLSRUSA-N 1 0 463.630 4.239 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCSCC1 ZINC001359109845 1068820249 /nfs/dbraw/zinc/82/02/49/1068820249.db2.gz RANXZBHYOOENJX-UHFFFAOYSA-N 1 0 468.440 4.298 20 30 JIEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001359117766 1068827632 /nfs/dbraw/zinc/82/76/32/1068827632.db2.gz SKYPDZSZJNHGOD-RTBURBONSA-N 1 0 460.022 4.337 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001359129149 1068840472 /nfs/dbraw/zinc/84/04/72/1068840472.db2.gz SKCIAVMEDYHYCI-SFHVURJKSA-N 1 0 480.440 4.003 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359136883 1068846946 /nfs/dbraw/zinc/84/69/46/1068846946.db2.gz XZKMPCXFCIGAOS-UHFFFAOYSA-N 1 0 497.684 4.048 20 30 JIEDRO C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001359161011 1068872131 /nfs/dbraw/zinc/87/21/31/1068872131.db2.gz MOGUDVIXJGTOAF-UHFFFAOYSA-N 1 0 485.430 4.181 20 30 JIEDRO C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359161187 1068872498 /nfs/dbraw/zinc/87/24/98/1068872498.db2.gz TWRFIQWRNFRMDY-LJQANCHMSA-N 1 0 483.638 4.492 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001359162937 1068874101 /nfs/dbraw/zinc/87/41/01/1068874101.db2.gz LHFRRBKROWVDIN-LJQANCHMSA-N 1 0 474.447 4.101 20 30 JIEDRO C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001359168809 1068879255 /nfs/dbraw/zinc/87/92/55/1068879255.db2.gz JZUDAIUFUQSKLB-HSZRJFAPSA-N 1 0 468.715 4.309 20 30 JIEDRO C=CC1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCC(F)(F)F)CC1 ZINC001359180515 1068902144 /nfs/dbraw/zinc/90/21/44/1068902144.db2.gz IIIVZLNKJYRXQB-UHFFFAOYSA-N 1 0 476.591 4.388 20 30 JIEDRO C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001359191136 1068934917 /nfs/dbraw/zinc/93/49/17/1068934917.db2.gz ONFBQAKXMLAJIK-UHFFFAOYSA-N 1 0 461.658 4.107 20 30 JIEDRO C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359191388 1068935313 /nfs/dbraw/zinc/93/53/13/1068935313.db2.gz XLWQPGWGIQZDDM-FCHUYYIVSA-N 1 0 456.679 4.094 20 30 JIEDRO C=CCC(C)(C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359192410 1068946216 /nfs/dbraw/zinc/94/62/16/1068946216.db2.gz DWTYSCZRSWWFIE-LVXARBLLSA-N 1 0 459.679 4.232 20 30 JIEDRO C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359199336 1068975523 /nfs/dbraw/zinc/97/55/23/1068975523.db2.gz RUROGJVJPMADKQ-SZPZYZBQSA-N 1 0 462.642 4.499 20 30 JIEDRO C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359204738 1068982072 /nfs/dbraw/zinc/98/20/72/1068982072.db2.gz ZNZUOTHTSCBTCY-UHFFFAOYSA-N 1 0 458.050 4.427 20 30 JIEDRO C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359223232 1069013387 /nfs/dbraw/zinc/01/33/87/1069013387.db2.gz DYEGIIVPSITUHR-GOSISDBHSA-N 1 0 478.410 4.114 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300558893 1069022889 /nfs/dbraw/zinc/02/28/89/1069022889.db2.gz FUIHIITXYAUJMX-UXHICEINSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+](C)C1CCCCC1 ZINC001300563817 1069043108 /nfs/dbraw/zinc/04/31/08/1069043108.db2.gz NQRJXNNZTFNBTK-UHFFFAOYSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300564070 1069044567 /nfs/dbraw/zinc/04/45/67/1069044567.db2.gz SKNLYKOSUGMFTI-FGZHOGPDSA-N 1 0 462.598 4.074 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300569226 1069070789 /nfs/dbraw/zinc/07/07/89/1069070789.db2.gz HBJMHTRWISJGRR-DEOSSOPVSA-N 1 0 475.637 4.222 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001300570244 1069074722 /nfs/dbraw/zinc/07/47/22/1069074722.db2.gz JRNXANTWWYHCMU-HHHXNRCGSA-N 1 0 486.664 4.037 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300570188 1069074746 /nfs/dbraw/zinc/07/47/46/1069074746.db2.gz YSWZTKXUAMXILC-UHFFFAOYSA-N 1 0 477.653 4.468 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516567 1069102574 /nfs/dbraw/zinc/10/25/74/1069102574.db2.gz KORGQIODDHKQGR-GMQQYTKMSA-N 1 0 471.605 4.194 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300590611 1069150928 /nfs/dbraw/zinc/15/09/28/1069150928.db2.gz CGDJAKSUFRIBDR-HSZRJFAPSA-N 1 0 461.654 4.349 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300595050 1069168820 /nfs/dbraw/zinc/16/88/20/1069168820.db2.gz GAKSAZUVRUFZPG-SZPZYZBQSA-N 1 0 465.617 4.216 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001300595842 1069172243 /nfs/dbraw/zinc/17/22/43/1069172243.db2.gz RFIPIRLCCGNQJL-OYUWMTPXSA-N 1 0 487.692 4.224 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001300605147 1069197406 /nfs/dbraw/zinc/19/74/06/1069197406.db2.gz YCJNNJCVUGUVAL-UHFFFAOYSA-N 1 0 475.609 4.368 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001300606876 1069203811 /nfs/dbraw/zinc/20/38/11/1069203811.db2.gz WGDZWNCLQYNHGH-UHFFFAOYSA-N 1 0 472.353 4.441 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCC1 ZINC001359254071 1069217152 /nfs/dbraw/zinc/21/71/52/1069217152.db2.gz DMJFAZUYHXHZPE-UHFFFAOYSA-N 1 0 485.430 4.333 20 30 JIEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359255396 1069228425 /nfs/dbraw/zinc/22/84/25/1069228425.db2.gz WVUCFNAXLFCVKU-JTHBVZDNSA-N 1 0 453.631 4.105 20 30 JIEDRO C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300618416 1069235746 /nfs/dbraw/zinc/23/57/46/1069235746.db2.gz DTDDAMHLWXMTFE-XMMPIXPASA-N 1 0 489.668 4.206 20 30 JIEDRO COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300626679 1069261232 /nfs/dbraw/zinc/26/12/32/1069261232.db2.gz BULNSZVQOUMJSR-NJDAHSKKSA-N 1 0 468.646 4.218 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001300626904 1069262577 /nfs/dbraw/zinc/26/25/77/1069262577.db2.gz ZLVMQEJAFCCVAZ-PKTZIBPZSA-N 1 0 480.657 4.155 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359259269 1069277152 /nfs/dbraw/zinc/27/71/52/1069277152.db2.gz QGPNXKBSQKQWKH-GOTSBHOMSA-N 1 0 478.685 4.350 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300631474 1069279465 /nfs/dbraw/zinc/27/94/65/1069279465.db2.gz QUURZEQNTQWQRK-ZRCGQRJVSA-N 1 0 451.615 4.007 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359261264 1069282473 /nfs/dbraw/zinc/28/24/73/1069282473.db2.gz BXEWHBKBVXUDGS-JOCHJYFZSA-N 1 0 482.629 4.210 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001359261946 1069286139 /nfs/dbraw/zinc/28/61/39/1069286139.db2.gz BLUSTJKZFPRDBY-UHFFFAOYSA-N 1 0 495.653 4.133 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[N@H+](C)C1CCCC1 ZINC001300637960 1069295996 /nfs/dbraw/zinc/29/59/96/1069295996.db2.gz MBVJXRFASVSTIV-UHFFFAOYSA-N 1 0 450.414 4.498 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C ZINC001359265285 1069299541 /nfs/dbraw/zinc/29/95/41/1069299541.db2.gz CLWXJASICHLLQZ-AZUAARDMSA-N 1 0 455.569 4.259 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCOC2(CCCC2)C1)C(C)C ZINC001359265988 1069300834 /nfs/dbraw/zinc/30/08/34/1069300834.db2.gz QKMJLPPGHOBXDZ-QHCPKHFHSA-N 1 0 450.631 4.188 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1)C(C)C ZINC001359266232 1069301678 /nfs/dbraw/zinc/30/16/78/1069301678.db2.gz WUPJEANFMRXRPY-RUZDIDTESA-N 1 0 497.732 4.362 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359268136 1069304742 /nfs/dbraw/zinc/30/47/42/1069304742.db2.gz FCLXLBVOGYPUFO-UHFFFAOYSA-N 1 0 472.033 4.431 20 30 JIEDRO N#C[C@H](c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1)c1ccccc1F ZINC001164699267 719894998 /nfs/dbraw/zinc/89/49/98/719894998.db2.gz YLONXABOIQJOAV-NRFANRHFSA-N 1 0 463.582 4.204 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164714931 720120444 /nfs/dbraw/zinc/12/04/44/720120444.db2.gz FQIOMURAPRRFSB-IBGZPJMESA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)CC2 ZINC001164719010 720126238 /nfs/dbraw/zinc/12/62/38/720126238.db2.gz UTBAFEKBGSBOQJ-GOSISDBHSA-N 1 0 491.970 4.063 20 30 JIEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164834894 720512779 /nfs/dbraw/zinc/51/27/79/720512779.db2.gz HWKLBXWQFABYEW-QJXQVQFTSA-N 1 0 455.610 4.015 20 30 JIEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843728 720678277 /nfs/dbraw/zinc/67/82/77/720678277.db2.gz QNOJVBZILARVGU-HXUWFJFHSA-N 1 0 468.985 4.043 20 30 JIEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164786855 721452185 /nfs/dbraw/zinc/45/21/85/721452185.db2.gz NYXSDWDMDJHFGO-UIOOFZCWSA-N 1 0 489.664 4.174 20 30 JIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897181 721512802 /nfs/dbraw/zinc/51/28/02/721512802.db2.gz FFIXMZOAIMPKGT-UKRRQHHQSA-N 1 0 457.283 4.286 20 30 JIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165031245 721845102 /nfs/dbraw/zinc/84/51/02/721845102.db2.gz ZNSGJDJHLGSCRK-UHFFFAOYSA-N 1 0 461.522 4.133 20 30 JIEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164933744 721890815 /nfs/dbraw/zinc/89/08/15/721890815.db2.gz NOIGPISFJJRAPH-MSOLQXFVSA-N 1 0 454.352 4.173 20 30 JIEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N(C)CC2CC[NH+](C)CC2)cc1C ZINC001165043394 721936472 /nfs/dbraw/zinc/93/64/72/721936472.db2.gz VZVQMVQBDBDXQV-DEOSSOPVSA-N 1 0 477.634 4.063 20 30 JIEDRO CN(CC1CC[NH+](C)CC1)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC001165043381 721936720 /nfs/dbraw/zinc/93/67/20/721936720.db2.gz VALWMUBYUZTTDW-QFIPXVFZSA-N 1 0 484.025 4.100 20 30 JIEDRO C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001359272091 1069310276 /nfs/dbraw/zinc/31/02/76/1069310276.db2.gz KONAUOBRTPLPRN-LGVFNWMJSA-N 1 0 451.615 4.337 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300656158 1069351051 /nfs/dbraw/zinc/35/10/51/1069351051.db2.gz ALLKCFVMDUWPFM-VWNXMTODSA-N 1 0 474.634 4.047 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001359314960 1069363392 /nfs/dbraw/zinc/36/33/92/1069363392.db2.gz LEXPBZQEAYSNCP-KRWDZBQOSA-N 1 0 480.476 4.282 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359322821 1069374007 /nfs/dbraw/zinc/37/40/07/1069374007.db2.gz CHQSTFQMPFHJRS-RPBOFIJWSA-N 1 0 451.659 4.469 20 30 JIEDRO C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001359339723 1069402651 /nfs/dbraw/zinc/40/26/51/1069402651.db2.gz PAGNTIFCIKASCJ-HXUWFJFHSA-N 1 0 475.106 4.122 20 30 JIEDRO C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359344676 1069411970 /nfs/dbraw/zinc/41/19/70/1069411970.db2.gz GDCKYZMEDHDDBT-GGAORHGYSA-N 1 0 454.688 4.274 20 30 JIEDRO C=CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001359345711 1069415330 /nfs/dbraw/zinc/41/53/30/1069415330.db2.gz ODEAHRBJJZDDRB-PKTZIBPZSA-N 1 0 468.715 4.044 20 30 JIEDRO C=CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001359345710 1069415484 /nfs/dbraw/zinc/41/54/84/1069415484.db2.gz ODEAHRBJJZDDRB-GOTSBHOMSA-N 1 0 468.715 4.044 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359466935 1069602388 /nfs/dbraw/zinc/60/23/88/1069602388.db2.gz JXOOYPISLLSLDS-ZWKOTPCHSA-N 1 0 484.446 4.162 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359468555 1069611170 /nfs/dbraw/zinc/61/11/70/1069611170.db2.gz MZMFWUBGKNMNKA-WOJBJXKFSA-N 1 0 470.687 4.372 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359469337 1069615309 /nfs/dbraw/zinc/61/53/09/1069615309.db2.gz CHHMMQBJERTTPL-RDTXWAMCSA-N 1 0 475.366 4.338 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001359470074 1069617424 /nfs/dbraw/zinc/61/74/24/1069617424.db2.gz QFHKYCVGQUIHTD-AEFFLSMTSA-N 1 0 456.019 4.488 20 30 JIEDRO CC(C)[NH+](CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N)C(C)C ZINC001359472473 1069621671 /nfs/dbraw/zinc/62/16/71/1069621671.db2.gz LYRZVRNYIRTFFH-FGZHOGPDSA-N 1 0 489.709 4.497 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359473240 1069622939 /nfs/dbraw/zinc/62/29/39/1069622939.db2.gz ZDAOGZANWASTOD-BHIFYINESA-N 1 0 487.693 4.109 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001359476799 1069634762 /nfs/dbraw/zinc/63/47/62/1069634762.db2.gz LHCHBZWMTYNETA-UGKGYDQZSA-N 1 0 466.561 4.412 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359478185 1069640678 /nfs/dbraw/zinc/64/06/78/1069640678.db2.gz OBRXMCBPTLSOLG-RSPOEFSDSA-N 1 0 487.674 4.009 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001359548685 1069856157 /nfs/dbraw/zinc/85/61/57/1069856157.db2.gz LZZMPYZCYKMGDM-SFTDATJTSA-N 1 0 454.594 4.178 20 30 JIEDRO CC(C)(C)OC(=O)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001359554123 1069864766 /nfs/dbraw/zinc/86/47/66/1069864766.db2.gz AALFHUZBPWIEMW-UHFFFAOYSA-N 1 0 493.656 4.137 20 30 JIEDRO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359588007 1070022394 /nfs/dbraw/zinc/02/23/94/1070022394.db2.gz HBIUNQNNLBHDCL-UMSFTDKQSA-N 1 0 482.698 4.066 20 30 JIEDRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1)[NH+]1CCCCC1 ZINC001359594032 1070039629 /nfs/dbraw/zinc/03/96/29/1070039629.db2.gz LFJSOSSJBJHFRG-UHFFFAOYSA-N 1 0 474.451 4.430 20 30 JIEDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001359620510 1070093661 /nfs/dbraw/zinc/09/36/61/1070093661.db2.gz SMDRKRUJCQATPD-VWLOTQADSA-N 1 0 491.684 4.214 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCC1 ZINC001359659228 1070264309 /nfs/dbraw/zinc/26/43/09/1070264309.db2.gz SGEOTADRLNMLSX-SIKLNZKXSA-N 1 0 493.400 4.409 20 30 JIEDRO CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)C)CC1)c1cccnc1 ZINC001359666331 1070301958 /nfs/dbraw/zinc/30/19/58/1070301958.db2.gz ROZWVPZINUSHHN-VWLOTQADSA-N 1 0 473.625 4.094 20 30 JIEDRO CC(C)[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001359665933 1070300015 /nfs/dbraw/zinc/30/00/15/1070300015.db2.gz JHNWKMOYAHFGMS-NQIIRXRSSA-N 1 0 489.462 4.478 20 30 JIEDRO CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001359666421 1070301680 /nfs/dbraw/zinc/30/16/80/1070301680.db2.gz UAQXLBNFNNZXII-QHCPKHFHSA-N 1 0 480.657 4.243 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001315521941 1064489101 /nfs/dbraw/zinc/48/91/01/1064489101.db2.gz DBCCHBZRSROGJP-NJDAHSKKSA-N 1 0 468.646 4.361 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001315525240 1064500096 /nfs/dbraw/zinc/50/00/96/1064500096.db2.gz XRNBJYBACRKMDP-UNMCSNQZSA-N 1 0 466.630 4.401 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315626938 1064771524 /nfs/dbraw/zinc/77/15/24/1064771524.db2.gz IJHVBKLYEHFINT-HFZDXXHNSA-N 1 0 450.631 4.272 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315662049 1064863050 /nfs/dbraw/zinc/86/30/50/1064863050.db2.gz ZUKQZAWINBFTOI-LJQANCHMSA-N 1 0 456.660 4.439 20 30 JIEDRO CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001315689367 1064943580 /nfs/dbraw/zinc/94/35/80/1064943580.db2.gz FEJZLQRVPTVJPJ-UPVQGACJSA-N 1 0 480.657 4.102 20 30 JIEDRO CO[C@@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001315691962 1064948892 /nfs/dbraw/zinc/94/88/92/1064948892.db2.gz RUSHFDDLZXQWMH-BJKOFHAPSA-N 1 0 464.658 4.266 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 ZINC001315702710 1064967002 /nfs/dbraw/zinc/96/70/02/1064967002.db2.gz DDUOBZMACZDPSZ-UHFFFAOYSA-N 1 0 454.594 4.104 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001315704901 1064971237 /nfs/dbraw/zinc/97/12/37/1064971237.db2.gz KEQSCZZXWMNJSM-NHCUHLMSSA-N 1 0 480.657 4.243 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001315705944 1064975973 /nfs/dbraw/zinc/97/59/73/1064975973.db2.gz OISFTJNMYRJZFI-KRWDZBQOSA-N 1 0 489.462 4.193 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(Cc4ccccc4F)nnc3N(C)C[C@H](C)C#N)CCCC2)CC1 ZINC001315708608 1064983898 /nfs/dbraw/zinc/98/38/98/1064983898.db2.gz HEFYJRPGPGKMQH-HXUWFJFHSA-N 1 0 468.621 4.027 20 30 JIEDRO CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCCC2)CC1(C)C ZINC001315714021 1065001262 /nfs/dbraw/zinc/00/12/62/1065001262.db2.gz AAYFWOHSANFEFQ-QHCPKHFHSA-N 1 0 450.631 4.334 20 30 JIEDRO COCC1(CCn2c(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCC1 ZINC001315840054 1065221324 /nfs/dbraw/zinc/22/13/24/1065221324.db2.gz HTMPHWGJQYUCBQ-UHFFFAOYSA-N 1 0 464.658 4.366 20 30 JIEDRO COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CCCCC1 ZINC001315844716 1065232678 /nfs/dbraw/zinc/23/26/78/1065232678.db2.gz QZYWDCIHXZUMFU-UHFFFAOYSA-N 1 0 450.631 4.192 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315887204 1065337602 /nfs/dbraw/zinc/33/76/02/1065337602.db2.gz IGGXZMPPGALWSD-WMTXJRDZSA-N 1 0 480.657 4.102 20 30 JIEDRO COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315891897 1065351881 /nfs/dbraw/zinc/35/18/81/1065351881.db2.gz BSJMHYRQOKHOCD-GGAORHGYSA-N 1 0 450.631 4.192 20 30 JIEDRO COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001315893701 1065357435 /nfs/dbraw/zinc/35/74/35/1065357435.db2.gz HKIZFFKQSLIQOF-MQSCRBSSSA-N 1 0 464.658 4.436 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001316100043 1065766588 /nfs/dbraw/zinc/76/65/88/1065766588.db2.gz QCTOQYUVQOUCMC-RBBKRZOGSA-N 1 0 475.641 4.289 20 30 JIEDRO CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001316365802 1066106797 /nfs/dbraw/zinc/10/67/97/1066106797.db2.gz RUAYLNKHVXWJGZ-UHFFFAOYSA-N 1 0 496.603 4.049 20 30 JIEDRO N#Cc1cccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCOCC(F)(F)C(F)F)c1 ZINC001316530031 1066548766 /nfs/dbraw/zinc/54/87/66/1066548766.db2.gz FIXUTWKIGYENGH-UHFFFAOYSA-N 1 0 494.537 4.188 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300716197 1067094249 /nfs/dbraw/zinc/09/42/49/1067094249.db2.gz KHENWVLXDBHBEV-NRFANRHFSA-N 1 0 497.087 4.219 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300734018 1067181352 /nfs/dbraw/zinc/18/13/52/1067181352.db2.gz PNALZPHXAVWXKJ-NRFANRHFSA-N 1 0 455.672 4.368 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001300782263 1067338730 /nfs/dbraw/zinc/33/87/30/1067338730.db2.gz JXCFMOYTWKDHIB-HXUWFJFHSA-N 1 0 472.584 4.188 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001300782257 1067338871 /nfs/dbraw/zinc/33/88/71/1067338871.db2.gz JXCFMOYTWKDHIB-FQEVSTJZSA-N 1 0 472.584 4.188 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001300782637 1067339973 /nfs/dbraw/zinc/33/99/73/1067339973.db2.gz PBRGOPHLSSCVMG-UHFFFAOYSA-N 1 0 488.558 4.405 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1CC[NH+](CCC)CC1 ZINC001300789071 1067356576 /nfs/dbraw/zinc/35/65/76/1067356576.db2.gz WTRZWJNTUJZXFX-HSZRJFAPSA-N 1 0 473.463 4.160 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC[NH+]1CCC(C)CC1 ZINC001300789812 1067358629 /nfs/dbraw/zinc/35/86/29/1067358629.db2.gz ZJYUYPGZGBPCCF-XMMPIXPASA-N 1 0 486.458 4.440 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300029294 1067412546 /nfs/dbraw/zinc/41/25/46/1067412546.db2.gz NVPCDQBAYFDAMR-PMACEKPBSA-N 1 0 466.630 4.070 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC001300029515 1067413787 /nfs/dbraw/zinc/41/37/87/1067413787.db2.gz RTNLETKUKSDMMA-HXUWFJFHSA-N 1 0 466.611 4.067 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300029617 1067414884 /nfs/dbraw/zinc/41/48/84/1067414884.db2.gz TVRLPBULFRRJRW-IBGZPJMESA-N 1 0 466.630 4.213 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001300051768 1067518683 /nfs/dbraw/zinc/51/86/83/1067518683.db2.gz PADLFCAZLSIVAG-QHCPKHFHSA-N 1 0 485.430 4.108 20 30 JIEDRO CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001300157344 1067813836 /nfs/dbraw/zinc/81/38/36/1067813836.db2.gz MVNQNOPAOCRJBN-HXUWFJFHSA-N 1 0 454.615 4.066 20 30 JIEDRO N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC2=O)cc1Cl ZINC001358228387 1068047194 /nfs/dbraw/zinc/04/71/94/1068047194.db2.gz ICDFMIGCUBTSMH-FQEVSTJZSA-N 1 0 450.970 4.232 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300277001 1068060978 /nfs/dbraw/zinc/06/09/78/1068060978.db2.gz UUIGPHAZQZVDMS-GOSISDBHSA-N 1 0 475.479 4.262 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001300287300 1068087847 /nfs/dbraw/zinc/08/78/47/1068087847.db2.gz XZPNVMRLLNRNDF-GOSISDBHSA-N 1 0 459.997 4.231 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300290028 1068092336 /nfs/dbraw/zinc/09/23/36/1068092336.db2.gz KWQWATFFOSUITR-HKUYNNGSSA-N 1 0 453.612 4.175 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001300329851 1068267248 /nfs/dbraw/zinc/26/72/48/1068267248.db2.gz SQNNWKICBFRPQN-KNQAVFIVSA-N 1 0 484.620 4.079 20 30 JIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1C#N ZINC000517501330 1068293673 /nfs/dbraw/zinc/29/36/73/1068293673.db2.gz VQOVSLPTCLYALQ-UHFFFAOYSA-N 1 0 476.610 4.357 20 30 JIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1cccc(Br)c1C#N ZINC001353548105 1068313490 /nfs/dbraw/zinc/31/34/90/1068313490.db2.gz VPRLOPFFLJMVNZ-KRWDZBQOSA-N 1 0 456.384 4.390 20 30 JIEDRO C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001300345164 1068341339 /nfs/dbraw/zinc/34/13/39/1068341339.db2.gz QGUCSRRACYLVDF-LJQANCHMSA-N 1 0 492.437 4.197 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001358875070 1068369473 /nfs/dbraw/zinc/36/94/73/1068369473.db2.gz IPQVWTKAPBYXTL-DENIHFKCSA-N 1 0 478.666 4.072 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358876104 1068373082 /nfs/dbraw/zinc/37/30/82/1068373082.db2.gz CDOVXKHGRKWKQQ-ULQDDVLXSA-N 1 0 462.411 4.425 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001358876539 1068373606 /nfs/dbraw/zinc/37/36/06/1068373606.db2.gz LOTVJRCHOFCPFT-NVXWUHKLSA-N 1 0 450.400 4.281 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001358888899 1068386042 /nfs/dbraw/zinc/38/60/42/1068386042.db2.gz UBIDVIJYVXCENB-BXXSPATCSA-N 1 0 486.705 4.219 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358889298 1068387386 /nfs/dbraw/zinc/38/73/86/1068387386.db2.gz ZXNBPYHIWLWHHH-UPVQGACJSA-N 1 0 494.684 4.373 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001358901783 1068400933 /nfs/dbraw/zinc/40/09/33/1068400933.db2.gz WSGPESPPKSGUCR-GHTZIAJQSA-N 1 0 464.639 4.212 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001358901681 1068401116 /nfs/dbraw/zinc/40/11/16/1068401116.db2.gz SVJCUQDXDWEGEK-OAQYLSRUSA-N 1 0 488.617 4.267 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001358903147 1068406165 /nfs/dbraw/zinc/40/61/65/1068406165.db2.gz MKFPKXCVCXTAPS-JOCHJYFZSA-N 1 0 476.669 4.332 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001358903076 1068406314 /nfs/dbraw/zinc/40/63/14/1068406314.db2.gz KORXRAPXNTYQCH-QFIPXVFZSA-N 1 0 476.669 4.189 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001358903371 1068407999 /nfs/dbraw/zinc/40/79/99/1068407999.db2.gz UJHIOUFCDJHDJN-ZRZAMGCNSA-N 1 0 490.696 4.435 20 30 JIEDRO C#CCCCCn1c(-c2ccccc2Cl)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001358908924 1068428569 /nfs/dbraw/zinc/42/85/69/1068428569.db2.gz OHVBIFQIZMVANM-UHFFFAOYSA-N 1 0 466.033 4.199 20 30 JIEDRO C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001358921540 1068458595 /nfs/dbraw/zinc/45/85/95/1068458595.db2.gz AHMNYQIMMPTQTG-QFIPXVFZSA-N 1 0 495.668 4.477 20 30 JIEDRO C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001300384834 1068480369 /nfs/dbraw/zinc/48/03/69/1068480369.db2.gz WFCKLVDXLNDWOL-WOJBJXKFSA-N 1 0 472.033 4.174 20 30 JIEDRO C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001300384833 1068480443 /nfs/dbraw/zinc/48/04/43/1068480443.db2.gz WFCKLVDXLNDWOL-UXHICEINSA-N 1 0 472.033 4.174 20 30 JIEDRO C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300385175 1068481416 /nfs/dbraw/zinc/48/14/16/1068481416.db2.gz ZZJXMPDLYVABCJ-GSLIJJQTSA-N 1 0 492.712 4.443 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358969750 1068510619 /nfs/dbraw/zinc/51/06/19/1068510619.db2.gz VZKOCQPTCUVXDJ-XMMPIXPASA-N 1 0 491.705 4.469 20 30 JIEDRO C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001300391361 1068510657 /nfs/dbraw/zinc/51/06/57/1068510657.db2.gz NJHKQOLZGQDJTI-SFHVURJKSA-N 1 0 486.458 4.440 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001358971555 1068513742 /nfs/dbraw/zinc/51/37/42/1068513742.db2.gz ZYEPFPRHXRHVMU-JOCHJYFZSA-N 1 0 454.622 4.387 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001358985427 1068533957 /nfs/dbraw/zinc/53/39/57/1068533957.db2.gz YPMTZAPYBPAUKF-VXKWHMMOSA-N 1 0 451.590 4.141 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001358986974 1068540118 /nfs/dbraw/zinc/54/01/18/1068540118.db2.gz NKEWGRBXARSGTA-QFIPXVFZSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358987256 1068540734 /nfs/dbraw/zinc/54/07/34/1068540734.db2.gz YOOGHLJPFOBIQB-HSZRJFAPSA-N 1 0 469.618 4.163 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001358993498 1068556703 /nfs/dbraw/zinc/55/67/03/1068556703.db2.gz OTPVMAYHSHPLGT-QNWVGRARSA-N 1 0 451.640 4.127 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001358993496 1068556972 /nfs/dbraw/zinc/55/69/72/1068556972.db2.gz OTPVMAYHSHPLGT-FUPPJEDESA-N 1 0 451.640 4.127 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001358994980 1068558214 /nfs/dbraw/zinc/55/82/14/1068558214.db2.gz AMDMOPIFSBBSRA-NHCUHLMSSA-N 1 0 467.608 4.367 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001358998371 1068566800 /nfs/dbraw/zinc/56/68/00/1068566800.db2.gz CJWICTZGPZHAHX-QFIPXVFZSA-N 1 0 482.673 4.078 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359019637 1068611950 /nfs/dbraw/zinc/61/19/50/1068611950.db2.gz ATNFKBMILQXLHA-HBMCJLEFSA-N 1 0 469.699 4.338 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001359020640 1068618383 /nfs/dbraw/zinc/61/83/83/1068618383.db2.gz KWQNWWCJUMMYSQ-OAQYLSRUSA-N 1 0 474.447 4.058 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359021466 1068622634 /nfs/dbraw/zinc/62/26/34/1068622634.db2.gz PUFRHOXTPCUOEC-IDISGSTGSA-N 1 0 460.626 4.090 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359030481 1068638492 /nfs/dbraw/zinc/63/84/92/1068638492.db2.gz WYCBWJOMKXHRCP-CMTIAEDTSA-N 1 0 476.713 4.333 20 30 JIEDRO C#CCCCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001300424018 1068652284 /nfs/dbraw/zinc/65/22/84/1068652284.db2.gz YWAURZXYKVFRFO-RGODFAACSA-N 1 0 479.669 4.221 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001359044730 1068661188 /nfs/dbraw/zinc/66/11/88/1068661188.db2.gz MZODCEKUIRPFPG-NRFANRHFSA-N 1 0 476.669 4.031 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359049669 1068670057 /nfs/dbraw/zinc/67/00/57/1068670057.db2.gz UGOCEXFUILVZHB-WOJBJXKFSA-N 1 0 471.646 4.234 20 30 JIEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001300429851 1068677156 /nfs/dbraw/zinc/67/71/56/1068677156.db2.gz DKOKDTDDEXFTPZ-TZIWHRDSSA-N 1 0 451.546 4.447 20 30 JIEDRO C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001359058694 1068693909 /nfs/dbraw/zinc/69/39/09/1068693909.db2.gz MVWTVNMSSWHPFW-UHFFFAOYSA-N 1 0 481.710 4.336 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359063632 1068704722 /nfs/dbraw/zinc/70/47/22/1068704722.db2.gz ZOYRCUTYNBUECK-WXVAWEFUSA-N 1 0 462.642 4.260 20 30 JIEDRO C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300438801 1068707331 /nfs/dbraw/zinc/70/73/31/1068707331.db2.gz WRCLFPCDFOINHD-QGZVFWFLSA-N 1 0 458.031 4.384 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001359066568 1068713729 /nfs/dbraw/zinc/71/37/29/1068713729.db2.gz GQSTZEXZZNLCDP-HRAATJIYSA-N 1 0 462.461 4.493 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001300441349 1068716741 /nfs/dbraw/zinc/71/67/41/1068716741.db2.gz LQOPVAIQXLXWBN-GOSISDBHSA-N 1 0 451.615 4.472 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001359073479 1068727247 /nfs/dbraw/zinc/72/72/47/1068727247.db2.gz RFVMIWYYBNBEKD-RNWIMVQKSA-N 1 0 492.712 4.173 20 30 JIEDRO C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359078485 1068740689 /nfs/dbraw/zinc/74/06/89/1068740689.db2.gz DKXGEEKNMZVQGS-UHFFFAOYSA-N 1 0 470.419 4.164 20 30 JIEDRO C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001359078884 1068742041 /nfs/dbraw/zinc/74/20/41/1068742041.db2.gz QOYKZKYKMRGRGZ-UHFFFAOYSA-N 1 0 487.265 4.210 20 30 JIEDRO C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001359084752 1068762327 /nfs/dbraw/zinc/76/23/27/1068762327.db2.gz QPHJGCGIYYJSTM-HXUWFJFHSA-N 1 0 476.419 4.010 20 30 JIEDRO 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N#Cc1c(Cl)nccc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904158 721586260 /nfs/dbraw/zinc/58/62/60/721586260.db2.gz DIZPUMMRWGFZMG-LJQANCHMSA-N 1 0 453.871 4.284 20 30 JIEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976329 722159565 /nfs/dbraw/zinc/15/95/65/722159565.db2.gz WSHAMJKAOXUTTP-ZHRRBRCNSA-N 1 0 469.923 4.160 20 30 JIEDRO C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001359272257 1069310231 /nfs/dbraw/zinc/31/02/31/1069310231.db2.gz NWAVFDLCOPRINP-JOCHJYFZSA-N 1 0 472.678 4.445 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300643553 1069313150 /nfs/dbraw/zinc/31/31/50/1069313150.db2.gz LDQPWVOCARMSSY-RTWAWAEBSA-N 1 0 458.651 4.074 20 30 JIEDRO 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 1069356427 /nfs/dbraw/zinc/35/64/27/1069356427.db2.gz VWQKCCAFJRXUBF-GBXCKJPGSA-N 1 0 494.684 4.439 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C[NH+]1CCCC1 ZINC001300657842 1069359037 /nfs/dbraw/zinc/35/90/37/1069359037.db2.gz SMJPBKJQFBHHCO-UHFFFAOYSA-N 1 0 492.437 4.055 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001359316285 1069367785 /nfs/dbraw/zinc/36/77/85/1069367785.db2.gz LVNPTPDNQYQOET-ICSRJNTNSA-N 1 0 460.022 4.120 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359324272 1069377811 /nfs/dbraw/zinc/37/78/11/1069377811.db2.gz HNLQPXYGOWMEFD-ISKFKSNPSA-N 1 0 453.631 4.067 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001359325762 1069381370 /nfs/dbraw/zinc/38/13/70/1069381370.db2.gz MHBQBSPUTHTDBV-JOCHJYFZSA-N 1 0 457.594 4.042 20 30 JIEDRO C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300673175 1069413571 /nfs/dbraw/zinc/41/35/71/1069413571.db2.gz GQXHEZVPXOJNDK-NFBKMPQASA-N 1 0 469.680 4.161 20 30 JIEDRO C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359345418 1069414292 /nfs/dbraw/zinc/41/42/92/1069414292.db2.gz FMQYCKPBJIZTJI-HXUWFJFHSA-N 1 0 462.063 4.494 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001359411144 1069525178 /nfs/dbraw/zinc/52/51/78/1069525178.db2.gz CAASOMWAYGTSAD-XPWZEYHZSA-N 1 0 491.684 4.068 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001359467500 1069605142 /nfs/dbraw/zinc/60/51/42/1069605142.db2.gz SXMHVSWKDLLZEU-QRWLVFNGSA-N 1 0 488.409 4.084 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCC1 ZINC001359467929 1069606384 /nfs/dbraw/zinc/60/63/84/1069606384.db2.gz AQWUXNLNKSHFQG-CQSZACIVSA-N 1 0 451.800 4.053 20 30 JIEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001359468124 1069607148 /nfs/dbraw/zinc/60/71/48/1069607148.db2.gz FSFPWPHHJGADSF-IBGZPJMESA-N 1 0 470.687 4.107 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](c1ccco1)[NH+](C)C ZINC001359469334 1069615097 /nfs/dbraw/zinc/61/50/97/1069615097.db2.gz CHHMMQBJERTTPL-KBXCAEBGSA-N 1 0 475.366 4.338 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359470892 1069619839 /nfs/dbraw/zinc/61/98/39/1069619839.db2.gz HQELHLNJBVJIDU-FDFHNCONSA-N 1 0 460.630 4.095 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359469515 1069614738 /nfs/dbraw/zinc/61/47/38/1069614738.db2.gz GPCVBSZKQXILSH-SJORKVTESA-N 1 0 465.429 4.349 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001359473717 1069624303 /nfs/dbraw/zinc/62/43/03/1069624303.db2.gz GRWRYNDWBVELQH-OAQYLSRUSA-N 1 0 485.076 4.401 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359475522 1069629457 /nfs/dbraw/zinc/62/94/57/1069629457.db2.gz MGDKQVJMQWWMKK-RTWAWAEBSA-N 1 0 470.625 4.242 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359476836 1069634208 /nfs/dbraw/zinc/63/42/08/1069634208.db2.gz LYSZTSQHRRPBCJ-DHIUTWEWSA-N 1 0 499.654 4.454 20 30 JIEDRO 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 1069639500 /nfs/dbraw/zinc/63/95/00/1069639500.db2.gz DCCUMZDSTDQIMW-IQFVJIFQSA-N 1 0 464.658 4.457 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359478592 1069643407 /nfs/dbraw/zinc/64/34/07/1069643407.db2.gz WHMVCPBFUYIBLE-AGILITTLSA-N 1 0 464.658 4.241 20 30 JIEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)CC1 ZINC001359547671 1069853516 /nfs/dbraw/zinc/85/35/16/1069853516.db2.gz YFKCQZYLESOBJK-UHFFFAOYSA-N 1 0 460.573 4.332 20 30 JIEDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001359549322 1069857394 /nfs/dbraw/zinc/85/73/94/1069857394.db2.gz KYDPXTYSRCINQH-UHFFFAOYSA-N 1 0 469.387 4.141 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315667989 1064889494 /nfs/dbraw/zinc/88/94/94/1064889494.db2.gz RYGLSZARMQYZMV-QFQXNSOFSA-N 1 0 498.697 4.210 20 30 JIEDRO COC1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001315679584 1064920346 /nfs/dbraw/zinc/92/03/46/1064920346.db2.gz NEFROVRWVJUCHW-UHFFFAOYSA-N 1 0 480.657 4.102 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001315703668 1064969011 /nfs/dbraw/zinc/96/90/11/1064969011.db2.gz DOZGMDAKYAWMTJ-NRFANRHFSA-N 1 0 480.657 4.245 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCCC2)CC1(C)C ZINC001315714020 1065001455 /nfs/dbraw/zinc/00/14/55/1065001455.db2.gz AAYFWOHSANFEFQ-HSZRJFAPSA-N 1 0 450.631 4.334 20 30 JIEDRO COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001315892523 1065353647 /nfs/dbraw/zinc/35/36/47/1065353647.db2.gz DOXIJMHHSSZEFG-XMMPIXPASA-N 1 0 464.658 4.438 20 30 JIEDRO 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CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)=C(C)C2)CC[NH+](C)CC1 ZINC001316410242 1066197820 /nfs/dbraw/zinc/19/78/20/1066197820.db2.gz RJSUUQRSWUJDOK-UHFFFAOYSA-N 1 0 466.655 4.103 20 30 JIEDRO CC1(C)CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001475317099 1066321517 /nfs/dbraw/zinc/32/15/17/1066321517.db2.gz PLDXKLYEJLIDFZ-QHCPKHFHSA-N 1 0 459.562 4.148 20 30 JIEDRO CN1CCN(c2ccc(C=NN3C(=S)N=NC3COc3c(Cl)cccc3Cl)cc2F)CC1 ZINC001317894472 1066764195 /nfs/dbraw/zinc/76/41/95/1066764195.db2.gz WHQYSTAMTXZADS-UHFFFAOYSA-N 1 0 495.411 4.226 20 30 JIEDRO C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C(C)(C)C)CC2)ccc1Cl ZINC001317989607 1066835627 /nfs/dbraw/zinc/83/56/27/1066835627.db2.gz CMZZRIMMXQGQCA-UHFFFAOYSA-N 1 0 494.032 4.417 20 30 JIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1C ZINC001349656218 1066868126 /nfs/dbraw/zinc/86/81/26/1066868126.db2.gz SGHIRDLIDKKLAD-UHFFFAOYSA-N 1 0 456.594 4.393 20 30 JIEDRO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001318310645 1067011766 /nfs/dbraw/zinc/01/17/66/1067011766.db2.gz IPICTDRSFVSBJJ-UHFFFAOYSA-N 1 0 477.609 4.000 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[C@@H](OCC)C(C)C)CC1 ZINC001300688492 1067032948 /nfs/dbraw/zinc/03/29/48/1067032948.db2.gz GNGUAWURIBVDAT-RBBKRZOGSA-N 1 0 469.699 4.338 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001300693281 1067044160 /nfs/dbraw/zinc/04/41/60/1067044160.db2.gz WITKOXXGEVVGNT-NRFANRHFSA-N 1 0 499.501 4.117 20 30 JIEDRO N#CCOc1ccc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001318770942 1067059666 /nfs/dbraw/zinc/05/96/66/1067059666.db2.gz GXDJBUCFBLNUAM-UHFFFAOYSA-N 1 0 475.515 4.332 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001300707345 1067075541 /nfs/dbraw/zinc/07/55/41/1067075541.db2.gz FFLQYYNVENZBAA-AREMUKBSSA-N 1 0 472.637 4.064 20 30 JIEDRO C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001320810941 1067094573 /nfs/dbraw/zinc/09/45/73/1067094573.db2.gz JOWDNAXXMAEVDQ-FQEVSTJZSA-N 1 0 474.026 4.032 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001300745869 1067255164 /nfs/dbraw/zinc/25/51/64/1067255164.db2.gz OASPIPCLNOJBKD-UHFFFAOYSA-N 1 0 450.027 4.415 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001300746472 1067257179 /nfs/dbraw/zinc/25/71/79/1067257179.db2.gz SQRJVFMSWWGIQX-QGZVFWFLSA-N 1 0 450.027 4.272 20 30 JIEDRO CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001352176881 1067306071 /nfs/dbraw/zinc/30/60/71/1067306071.db2.gz SHLBYBRPHKSRTG-XZOQPEGZSA-N 1 0 456.631 4.477 20 30 JIEDRO C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001300770275 1067318354 /nfs/dbraw/zinc/31/83/54/1067318354.db2.gz RKZKVDUFAHWVKJ-UHFFFAOYSA-N 1 0 467.683 4.330 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300786760 1067349680 /nfs/dbraw/zinc/34/96/80/1067349680.db2.gz PSKADZADTWVVFY-NHCUHLMSSA-N 1 0 480.657 4.100 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(CC(C)C)nnc3N(C)Cc3ccc(C#N)cc3)CCCC2)CC1 ZINC001300787518 1067351673 /nfs/dbraw/zinc/35/16/73/1067351673.db2.gz UVZAURLUKCSZEO-UHFFFAOYSA-N 1 0 464.658 4.408 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[N@@H+](C)CCOC ZINC001300789535 1067357837 /nfs/dbraw/zinc/35/78/37/1067357837.db2.gz OUHOADPNCZWOAE-UQBPGWFLSA-N 1 0 455.672 4.092 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300789579 1067357966 /nfs/dbraw/zinc/35/79/66/1067357966.db2.gz QDZRLPDXRXXEEA-MHECFPHRSA-N 1 0 486.458 4.440 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300790829 1067360973 /nfs/dbraw/zinc/36/09/73/1067360973.db2.gz XDSGHNMGIHVGOP-NXMSCROESA-N 1 0 459.997 4.229 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(CCc4ccccc4)nnc3N(C)[C@H](C)CC#N)CCCC2)CC1 ZINC001300792464 1067363093 /nfs/dbraw/zinc/36/30/93/1067363093.db2.gz WNYFRCOMTATCOH-JOCHJYFZSA-N 1 0 464.658 4.225 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2([NH+](C)C)CCCC2)cc1Br ZINC001300029980 1067416860 /nfs/dbraw/zinc/41/68/60/1067416860.db2.gz ZQTSGLDZJFNNIQ-UHFFFAOYSA-N 1 0 487.446 4.331 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001300049176 1067504915 /nfs/dbraw/zinc/50/49/15/1067504915.db2.gz HGNAQHZNTDEBDH-SANMLTNESA-N 1 0 466.630 4.214 20 30 JIEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c1 ZINC001200068692 1067505358 /nfs/dbraw/zinc/50/53/58/1067505358.db2.gz BQDYZKQHHZNVOO-UHFFFAOYSA-N 1 0 453.590 4.124 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC(C)(C#N)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300115923 1067725758 /nfs/dbraw/zinc/72/57/58/1067725758.db2.gz CCXPKRRVKXYWBD-UHFFFAOYSA-N 1 0 464.658 4.466 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300272263 1068053322 /nfs/dbraw/zinc/05/33/22/1068053322.db2.gz AOKHMPMGLFCTMP-NNMXDRDESA-N 1 0 451.546 4.445 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[NH+]1CCC(C)CC1 ZINC001300277209 1068061835 /nfs/dbraw/zinc/06/18/35/1068061835.db2.gz YEBSJUHEBNICBP-QGZVFWFLSA-N 1 0 462.411 4.427 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300290029 1068092586 /nfs/dbraw/zinc/09/25/86/1068092586.db2.gz KWQWATFFOSUITR-IEBWSBKVSA-N 1 0 453.612 4.175 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001300290085 1068092789 /nfs/dbraw/zinc/09/27/89/1068092789.db2.gz LWPLUOFTNFDLHX-HXUWFJFHSA-N 1 0 474.609 4.162 20 30 JIEDRO 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 1068146107 /nfs/dbraw/zinc/14/61/07/1068146107.db2.gz CLJGUXRULDLLBP-ZRBLBEILSA-N 1 0 486.705 4.219 20 30 JIEDRO N#Cc1ccc(N2CCN(CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC001473430037 1068170473 /nfs/dbraw/zinc/17/04/73/1068170473.db2.gz QMUYCSAMJHMIQB-UHFFFAOYSA-N 1 0 458.437 4.199 20 30 JIEDRO C[NH+](C)[C@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000511547531 1068198699 /nfs/dbraw/zinc/19/86/99/1068198699.db2.gz PERMIIDMIRNHPD-GOSISDBHSA-N 1 0 456.572 4.266 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300332476 1068282415 /nfs/dbraw/zinc/28/24/15/1068282415.db2.gz HKYURLVXTDKPPW-OYRHEFFESA-N 1 0 476.669 4.358 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300334740 1068302764 /nfs/dbraw/zinc/30/27/64/1068302764.db2.gz RTMYHTIWFZWEEB-OAQYLSRUSA-N 1 0 464.658 4.043 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001358875128 1068369631 /nfs/dbraw/zinc/36/96/31/1068369631.db2.gz JLXHOXMEQOAHBG-GOSISDBHSA-N 1 0 495.469 4.341 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001358875869 1068372215 /nfs/dbraw/zinc/37/22/15/1068372215.db2.gz XQNYWWWHLQZIGO-RLWLMLJZSA-N 1 0 474.653 4.167 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001358875868 1068372399 /nfs/dbraw/zinc/37/23/99/1068372399.db2.gz XQNYWWWHLQZIGO-QFQXNSOFSA-N 1 0 474.653 4.167 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](CC(C)C)[NH+](C)C ZINC001358876541 1068374200 /nfs/dbraw/zinc/37/42/00/1068374200.db2.gz LOTVJRCHOFCPFT-WBVHZDCISA-N 1 0 450.400 4.281 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358878464 1068376870 /nfs/dbraw/zinc/37/68/70/1068376870.db2.gz XBIMSPMZIPMHPA-SJLPKXTDSA-N 1 0 494.503 4.364 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001358879433 1068378143 /nfs/dbraw/zinc/37/81/43/1068378143.db2.gz QZPKGBFTDCAZLC-UQBPGWFLSA-N 1 0 465.623 4.012 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001358890349 1068387835 /nfs/dbraw/zinc/38/78/35/1068387835.db2.gz OEYIAOIWKUJLQS-YKSBVNFPSA-N 1 0 451.615 4.007 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358893468 1068388963 /nfs/dbraw/zinc/38/89/63/1068388963.db2.gz VJMSRPFGLXOWJU-NRFANRHFSA-N 1 0 467.683 4.087 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001358899814 1068397039 /nfs/dbraw/zinc/39/70/39/1068397039.db2.gz VLPHLZACUYXLLO-ACIOBRDBSA-N 1 0 480.657 4.419 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358899862 1068397227 /nfs/dbraw/zinc/39/72/27/1068397227.db2.gz WVPWNSHWDREOQM-CEXWTWQISA-N 1 0 472.659 4.172 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358900301 1068398224 /nfs/dbraw/zinc/39/82/24/1068398224.db2.gz HPZISXIECYUQLJ-NKKJXINNSA-N 1 0 492.668 4.151 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001358900240 1068398324 /nfs/dbraw/zinc/39/83/24/1068398324.db2.gz GGBDMPCQPRWMDO-JOCHJYFZSA-N 1 0 474.609 4.062 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001358901758 1068401085 /nfs/dbraw/zinc/40/10/85/1068401085.db2.gz VXUDHSVZSJZBDP-FDFHNCONSA-N 1 0 464.658 4.216 20 30 JIEDRO C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001358922744 1068462843 /nfs/dbraw/zinc/46/28/43/1068462843.db2.gz PKKMQVGLWYAQAT-UHFFFAOYSA-N 1 0 455.672 4.236 20 30 JIEDRO C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001358923660 1068465462 /nfs/dbraw/zinc/46/54/62/1068465462.db2.gz WKXXDECCGPRBRD-NRFANRHFSA-N 1 0 488.474 4.367 20 30 JIEDRO C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358946255 1068498075 /nfs/dbraw/zinc/49/80/75/1068498075.db2.gz OFLLWXGOXIAESA-SZPZYZBQSA-N 1 0 489.668 4.063 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001358952861 1068502385 /nfs/dbraw/zinc/50/23/85/1068502385.db2.gz AOKPVOTZCUMWLI-UHFFFAOYSA-N 1 0 474.447 4.201 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[NH+]1CCC(C)CC1 ZINC001358969107 1068509523 /nfs/dbraw/zinc/50/95/23/1068509523.db2.gz HCBGQGNLTMIIDZ-JOCHJYFZSA-N 1 0 468.045 4.493 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358969749 1068510548 /nfs/dbraw/zinc/51/05/48/1068510548.db2.gz VZKOCQPTCUVXDJ-DEOSSOPVSA-N 1 0 491.705 4.469 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001300391770 1068512126 /nfs/dbraw/zinc/51/21/26/1068512126.db2.gz FIJRHJFQNGKUGX-UHFFFAOYSA-N 1 0 473.040 4.146 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001358972897 1068520121 /nfs/dbraw/zinc/52/01/21/1068520121.db2.gz XCQMCGDNNJBOHY-NRFANRHFSA-N 1 0 482.451 4.453 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001358978093 1068526563 /nfs/dbraw/zinc/52/65/63/1068526563.db2.gz CULAMQKOFBJXLW-ZEQRLZLVSA-N 1 0 496.700 4.120 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001358982053 1068528938 /nfs/dbraw/zinc/52/89/38/1068528938.db2.gz HXECRRTXXWECAO-RUZDIDTESA-N 1 0 461.654 4.482 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001358985747 1068535100 /nfs/dbraw/zinc/53/51/00/1068535100.db2.gz GPOHZMGXFUNTBH-SFTDATJTSA-N 1 0 454.018 4.266 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001358986270 1068537147 /nfs/dbraw/zinc/53/71/47/1068537147.db2.gz RUWKTWLEDGDZKX-FSSWDIPSSA-N 1 0 451.590 4.141 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358987590 1068541743 /nfs/dbraw/zinc/54/17/43/1068541743.db2.gz MAQVCNMMCNMCKD-DEOSSOPVSA-N 1 0 475.637 4.222 20 30 JIEDRO C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001300398901 1068547515 /nfs/dbraw/zinc/54/75/15/1068547515.db2.gz CVJVGNQIUASOAG-NHCUHLMSSA-N 1 0 499.501 4.116 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001358996325 1068560382 /nfs/dbraw/zinc/56/03/82/1068560382.db2.gz ARFJIFHEZOKMGT-UHFFFAOYSA-N 1 0 463.676 4.367 20 30 JIEDRO C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001359001346 1068570703 /nfs/dbraw/zinc/57/07/03/1068570703.db2.gz RKQUBAHCPWNTOB-AQNXPRMDSA-N 1 0 474.049 4.419 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359002177 1068572757 /nfs/dbraw/zinc/57/27/57/1068572757.db2.gz QLKNCWWBSPEULW-SFHVURJKSA-N 1 0 461.452 4.160 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001359002639 1068574807 /nfs/dbraw/zinc/57/48/07/1068574807.db2.gz HRNUTFJJCPNHGD-UHFFFAOYSA-N 1 0 461.452 4.253 20 30 JIEDRO C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359010845 1068587100 /nfs/dbraw/zinc/58/71/00/1068587100.db2.gz BADHYLXZPSERRL-UHFFFAOYSA-N 1 0 458.075 4.343 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359015399 1068594175 /nfs/dbraw/zinc/59/41/75/1068594175.db2.gz RZDPUZURSKQSNQ-GOTSBHOMSA-N 1 0 494.659 4.051 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359016242 1068597814 /nfs/dbraw/zinc/59/78/14/1068597814.db2.gz VHOOEVWEEIIHGX-QHCPKHFHSA-N 1 0 460.601 4.487 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001359019390 1068610800 /nfs/dbraw/zinc/61/08/00/1068610800.db2.gz UFZYPLISYHWMLI-QFIPXVFZSA-N 1 0 474.653 4.171 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001359019266 1068611364 /nfs/dbraw/zinc/61/13/64/1068611364.db2.gz OXPCRRBLZHBALQ-MRXNPFEDSA-N 1 0 458.031 4.382 20 30 JIEDRO C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359025129 1068627538 /nfs/dbraw/zinc/62/75/38/1068627538.db2.gz DLPWQCFDRCPDDC-HXUWFJFHSA-N 1 0 458.050 4.119 20 30 JIEDRO C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001300429850 1068676919 /nfs/dbraw/zinc/67/69/19/1068676919.db2.gz DKOKDTDDEXFTPZ-PZJWPPBQSA-N 1 0 451.546 4.447 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001359063577 1068704842 /nfs/dbraw/zinc/70/48/42/1068704842.db2.gz YBLCGAPOAQOIHA-RBJSKKJNSA-N 1 0 476.669 4.334 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CC[NH+](CC)CC1 ZINC001359064206 1068705790 /nfs/dbraw/zinc/70/57/90/1068705790.db2.gz NWRGUDQNZKKSBV-UFHPHHKVSA-N 1 0 478.685 4.055 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001359073571 1068727891 /nfs/dbraw/zinc/72/78/91/1068727891.db2.gz WPKSSWQAFUINNL-RPLLCQBOSA-N 1 0 459.642 4.215 20 30 JIEDRO 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C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001359121207 1068832503 /nfs/dbraw/zinc/83/25/03/1068832503.db2.gz BICKMRMGSWFYFH-RTWAWAEBSA-N 1 0 458.651 4.033 20 30 JIEDRO COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300480582 1068833534 /nfs/dbraw/zinc/83/35/34/1068833534.db2.gz DODNMFBRHBEVLK-IBGZPJMESA-N 1 0 450.612 4.448 20 30 JIEDRO C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001359137239 1068847325 /nfs/dbraw/zinc/84/73/25/1068847325.db2.gz JUIPTOPJIYMMRX-DNVJHFABSA-N 1 0 459.679 4.102 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359145836 1068857858 /nfs/dbraw/zinc/85/78/58/1068857858.db2.gz FAMYCAMRJZYYSF-INIZCTEOSA-N 1 0 466.413 4.049 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359147045 1068859488 /nfs/dbraw/zinc/85/94/88/1068859488.db2.gz RONJXEDXHBHPLJ-UHFFFAOYSA-N 1 0 490.048 4.044 20 30 JIEDRO 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C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359255944 1069237236 /nfs/dbraw/zinc/23/72/36/1069237236.db2.gz PCTSKHGAQDNIQK-UHFFFAOYSA-N 1 0 485.636 4.294 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359256474 1069249925 /nfs/dbraw/zinc/24/99/25/1069249925.db2.gz GYRPTIPQVOYCPW-UHFFFAOYSA-N 1 0 469.637 4.450 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001300625687 1069257428 /nfs/dbraw/zinc/25/74/28/1069257428.db2.gz KEJQBKDPQKFBJN-NRFANRHFSA-N 1 0 472.678 4.117 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001359257758 1069259636 /nfs/dbraw/zinc/25/96/36/1069259636.db2.gz USMQEZSYGLIIOW-PTUXOGIPSA-N 1 0 493.656 4.063 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)[C@@H](c2cnn(C)c2)C1 ZINC000849602868 1069260632 /nfs/dbraw/zinc/26/06/32/1069260632.db2.gz BLMFFOHWDXJTAQ-VOQZNFBZSA-N 1 0 461.532 4.194 20 30 JIEDRO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849602707 1069260732 /nfs/dbraw/zinc/26/07/32/1069260732.db2.gz QBBZGGCIEOWQCC-MOPGFXCFSA-N 1 0 461.404 4.200 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2O[C@@H](C)C1)C(C)C ZINC001359264546 1069296454 /nfs/dbraw/zinc/29/64/54/1069296454.db2.gz HUXOMGGVOCNHGA-LADGPHEKSA-N 1 0 492.668 4.000 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)C(C)C ZINC001359264828 1069297516 /nfs/dbraw/zinc/29/75/16/1069297516.db2.gz QSQUYMOBSWRIFP-VXKWHMMOSA-N 1 0 455.006 4.026 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2ccc(Cl)nc2C1)C(C)C ZINC001359266019 1069301113 /nfs/dbraw/zinc/30/11/13/1069301113.db2.gz QTRGTXBZDRSBIV-JOCHJYFZSA-N 1 0 479.032 4.045 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCOCC1)C(C)C ZINC001359266187 1069301595 /nfs/dbraw/zinc/30/15/95/1069301595.db2.gz WAAUTWFQNFEFQB-DNVJHFABSA-N 1 0 459.679 4.122 20 30 JIEDRO 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C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCO2 ZINC001164978111 722170266 /nfs/dbraw/zinc/17/02/66/722170266.db2.gz POLRKDNIYADFST-XMSQKQJNSA-N 1 0 453.961 4.235 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001300643023 1069311932 /nfs/dbraw/zinc/31/19/32/1069311932.db2.gz GBKYNQHKGMCVNF-FCHUYYIVSA-N 1 0 484.620 4.252 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300648484 1069326161 /nfs/dbraw/zinc/32/61/61/1069326161.db2.gz FDRASQIUWMLJFQ-DHIUTWEWSA-N 1 0 474.628 4.411 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300649897 1069330933 /nfs/dbraw/zinc/33/09/33/1069330933.db2.gz YEXCJDYSSXFBKQ-XJUOHMSHSA-N 1 0 467.633 4.317 20 30 JIEDRO C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001359285794 1069331061 /nfs/dbraw/zinc/33/10/61/1069331061.db2.gz MGQPPZSPOTWNET-XMMPIXPASA-N 1 0 466.674 4.161 20 30 JIEDRO 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CC(C)(C)Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001359534378 1069827685 /nfs/dbraw/zinc/82/76/85/1069827685.db2.gz UHNAIMJHMMJGOX-LOSJGSFVSA-N 1 0 478.685 4.044 20 30 JIEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001359546428 1069850314 /nfs/dbraw/zinc/85/03/14/1069850314.db2.gz DXDQXFCPGLBECC-HHHXNRCGSA-N 1 0 464.658 4.316 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359659572 1070266752 /nfs/dbraw/zinc/26/67/52/1070266752.db2.gz YOVYDTOSWQFVCI-SIKLNZKXSA-N 1 0 489.590 4.010 20 30 JIEDRO CC(C)[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001359665932 1070298939 /nfs/dbraw/zinc/29/89/39/1070298939.db2.gz JHNWKMOYAHFGMS-GHTZIAJQSA-N 1 0 489.462 4.478 20 30 JIEDRO CC(C)[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001359665935 1070300314 /nfs/dbraw/zinc/30/03/14/1070300314.db2.gz JHNWKMOYAHFGMS-WIYYLYMNSA-N 1 0 489.462 4.478 20 30 JIEDRO 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20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC[C@@H]1C ZINC001315718447 1065011692 /nfs/dbraw/zinc/01/16/92/1065011692.db2.gz OWRVSZJYNUYWCR-WUMKDDEVSA-N 1 0 450.631 4.188 20 30 JIEDRO COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001315892522 1065353809 /nfs/dbraw/zinc/35/38/09/1065353809.db2.gz DOXIJMHHSSZEFG-DEOSSOPVSA-N 1 0 464.658 4.438 20 30 JIEDRO COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316091296 1065749105 /nfs/dbraw/zinc/74/91/05/1065749105.db2.gz GCNRBZMWXCAKHB-NHCUHLMSSA-N 1 0 476.625 4.492 20 30 JIEDRO COCCN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316096233 1065759369 /nfs/dbraw/zinc/75/93/69/1065759369.db2.gz ZNWBPCBLISDTGQ-RTWAWAEBSA-N 1 0 462.598 4.183 20 30 JIEDRO COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCC[C@H]1C ZINC001316099264 1065765200 /nfs/dbraw/zinc/76/52/00/1065765200.db2.gz VQRUZHOOJZRLPD-MRXNPFEDSA-N 1 0 451.402 4.103 20 30 JIEDRO CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cc(Cl)ccn2)CC[NH+](C)CC1 ZINC001316403092 1066182888 /nfs/dbraw/zinc/18/28/88/1066182888.db2.gz JGYIHMBWCIJXNM-UHFFFAOYSA-N 1 0 482.057 4.329 20 30 JIEDRO CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001316442048 1066302895 /nfs/dbraw/zinc/30/28/95/1066302895.db2.gz MZGZNULYTBEBRZ-QFIPXVFZSA-N 1 0 468.671 4.183 20 30 JIEDRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001316506182 1066481803 /nfs/dbraw/zinc/48/18/03/1066481803.db2.gz HEDWRRBPPXKHKZ-PGRDOPGGSA-N 1 0 480.638 4.097 20 30 JIEDRO CCc1ccc(C(C)(C)CNC(N[C@@H]2CCOc3ccccc32)=[NH+]CC2(O)CCOCC2)cc1 ZINC001337620498 1066499926 /nfs/dbraw/zinc/49/99/26/1066499926.db2.gz CMJONBBBNMTUAC-XMMPIXPASA-N 1 0 465.638 4.127 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001300682387 1067017930 /nfs/dbraw/zinc/01/79/30/1067017930.db2.gz GYPIOIMNIKUECW-AOYPEHQESA-N 1 0 462.686 4.087 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC[C@@H]2CC)CC1 ZINC001300688438 1067032683 /nfs/dbraw/zinc/03/26/83/1067032683.db2.gz FHEHCYATPPZKQD-ROUUACIJSA-N 1 0 474.422 4.428 20 30 JIEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300701267 1067061002 /nfs/dbraw/zinc/06/10/02/1067061002.db2.gz MPIKWODCLWNQJL-GOTSBHOMSA-N 1 0 483.104 4.036 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001300707009 1067075108 /nfs/dbraw/zinc/07/51/08/1067075108.db2.gz ANDULCTXKXDFKE-VWLOTQADSA-N 1 0 492.712 4.030 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001300716920 1067095624 /nfs/dbraw/zinc/09/56/24/1067095624.db2.gz UPLKLKQRGYSDFV-UIOOFZCWSA-N 1 0 490.696 4.050 20 30 JIEDRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC001321563896 1067167867 /nfs/dbraw/zinc/16/78/67/1067167867.db2.gz PKXIKGBTXCXOEJ-UHFFFAOYSA-N 1 0 469.589 4.405 20 30 JIEDRO C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001300755002 1067282410 /nfs/dbraw/zinc/28/24/10/1067282410.db2.gz JCTYSDLFPDNAIJ-JOCHJYFZSA-N 1 0 460.651 4.116 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N(CCC#N)CC2CC2)CC1 ZINC001300781944 1067337576 /nfs/dbraw/zinc/33/75/76/1067337576.db2.gz DUZOATLWJRZJBN-UHFFFAOYSA-N 1 0 454.594 4.104 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001300781958 1067338040 /nfs/dbraw/zinc/33/80/40/1067338040.db2.gz FDWZQMHMBVHUHY-UHFFFAOYSA-N 1 0 480.657 4.100 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(N3C[C@@H](c4ccccc4)[C@H](C#N)C3)nnc2C(C)(C)C)CC1 ZINC001300785566 1067347011 /nfs/dbraw/zinc/34/70/11/1067347011.db2.gz GSOPOELHSQJOOP-GGAORHGYSA-N 1 0 464.658 4.209 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001300785679 1067347201 /nfs/dbraw/zinc/34/72/01/1067347201.db2.gz BBHXTDAUCOKPPB-CAKYRVLISA-N 1 0 465.642 4.140 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300788745 1067355736 /nfs/dbraw/zinc/35/57/36/1067355736.db2.gz KVTZFAPNMNLOBJ-FDDCHVKYSA-N 1 0 473.463 4.160 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300789011 1067356422 /nfs/dbraw/zinc/35/64/22/1067356422.db2.gz UUGRORGMIUHDOB-ATIYNZHBSA-N 1 0 451.615 4.075 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300790825 1067360794 /nfs/dbraw/zinc/36/07/94/1067360794.db2.gz XDSGHNMGIHVGOP-LLJLJFOGSA-N 1 0 459.997 4.229 20 30 JIEDRO COC1CC[NH+](C2(Cn3c(Cc4ccccc4C)nnc3N(C)[C@@H](C)CC#N)CCCC2)CC1 ZINC001300791519 1067362040 /nfs/dbraw/zinc/36/20/40/1067362040.db2.gz MMLKTSMGDMQNJP-QFIPXVFZSA-N 1 0 464.658 4.339 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300050886 1067511067 /nfs/dbraw/zinc/51/10/67/1067511067.db2.gz VUVRZOODRPJAON-CLOONOSVSA-N 1 0 480.638 4.457 20 30 JIEDRO Cc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492582793 1067533257 /nfs/dbraw/zinc/53/32/57/1067533257.db2.gz SZDGJCYMQHGIHK-YZIHRLCOSA-N 1 0 452.622 4.377 20 30 JIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)COc1cccc(Br)c1C#N ZINC001355667542 1067546057 /nfs/dbraw/zinc/54/60/57/1067546057.db2.gz AXMGRKIKGIDLBH-UHFFFAOYSA-N 1 0 450.402 4.132 20 30 JIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC001355668476 1067546905 /nfs/dbraw/zinc/54/69/05/1067546905.db2.gz QVTLIWULDMFYLQ-UHFFFAOYSA-N 1 0 450.402 4.132 20 30 JIEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)nc2)CC1 ZINC001355691337 1067552998 /nfs/dbraw/zinc/55/29/98/1067552998.db2.gz RBEFQRASEYJTFJ-UHFFFAOYSA-N 1 0 455.562 4.315 20 30 JIEDRO C#CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001353259427 1067960828 /nfs/dbraw/zinc/96/08/28/1067960828.db2.gz MIPHLMNDNKOKAC-HHHXNRCGSA-N 1 0 453.627 4.472 20 30 JIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001358073282 1068011419 /nfs/dbraw/zinc/01/14/19/1068011419.db2.gz YHRMLSMFTDAJEI-NRFANRHFSA-N 1 0 454.530 4.300 20 30 JIEDRO N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC2=O)cc1Cl ZINC001358228489 1068047143 /nfs/dbraw/zinc/04/71/43/1068047143.db2.gz ICDFMIGCUBTSMH-HXUWFJFHSA-N 1 0 450.970 4.232 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300280766 1068072010 /nfs/dbraw/zinc/07/20/10/1068072010.db2.gz FSVMSWYJSWXWNA-JKSUJKDBSA-N 1 0 450.450 4.492 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300283927 1068079650 /nfs/dbraw/zinc/07/96/50/1068079650.db2.gz OVQGXUACZLTSMH-RUZDIDTESA-N 1 0 454.619 4.115 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300286543 1068086713 /nfs/dbraw/zinc/08/67/13/1068086713.db2.gz KFPFINGSFCHRRX-HXUWFJFHSA-N 1 0 453.631 4.463 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300286835 1068087047 /nfs/dbraw/zinc/08/70/47/1068087047.db2.gz OKTIWSVOJBVOQQ-IRLDBZIGSA-N 1 0 453.631 4.463 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300289791 1068092119 /nfs/dbraw/zinc/09/21/19/1068092119.db2.gz JMEOJNISTBXKDZ-PKOBYXMFSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001300317130 1068214845 /nfs/dbraw/zinc/21/48/45/1068214845.db2.gz KPFXBRAIPMUXQV-FUDKSRODSA-N 1 0 488.602 4.394 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300319495 1068228627 /nfs/dbraw/zinc/22/86/27/1068228627.db2.gz BPDUOTIBGIRGRT-QZNHQXDQSA-N 1 0 490.677 4.028 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300319484 1068228903 /nfs/dbraw/zinc/22/89/03/1068228903.db2.gz BPDUOTIBGIRGRT-FUDKSRODSA-N 1 0 490.677 4.028 20 30 JIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)c1C#N ZINC000516150583 1068273413 /nfs/dbraw/zinc/27/34/13/1068273413.db2.gz QOXXFJQKHVWBQS-UHFFFAOYSA-N 1 0 490.571 4.146 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001300336256 1068311238 /nfs/dbraw/zinc/31/12/38/1068311238.db2.gz AVCICTFHNJTYLB-XMMPIXPASA-N 1 0 490.677 4.431 20 30 JIEDRO C#CCCCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001300341764 1068329118 /nfs/dbraw/zinc/32/91/18/1068329118.db2.gz LAFZNMUHFCSLSF-JOCHJYFZSA-N 1 0 460.626 4.152 20 30 JIEDRO C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001300342621 1068332370 /nfs/dbraw/zinc/33/23/70/1068332370.db2.gz SQKRBPGEPWZMJG-XMMPIXPASA-N 1 0 489.668 4.284 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001300348318 1068351843 /nfs/dbraw/zinc/35/18/43/1068351843.db2.gz MKTDLYVFKWQTQG-UHFFFAOYSA-N 1 0 474.012 4.381 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001358874669 1068368645 /nfs/dbraw/zinc/36/86/45/1068368645.db2.gz AHGVRNMQWZBFCK-SFTDATJTSA-N 1 0 491.709 4.109 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001358875369 1068371062 /nfs/dbraw/zinc/37/10/62/1068371062.db2.gz OIXNBTYKCGADFT-GCJKJVERSA-N 1 0 481.442 4.341 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358875637 1068371586 /nfs/dbraw/zinc/37/15/86/1068371586.db2.gz TYCZOSKJQLPZEE-PXNSSMCTSA-N 1 0 473.463 4.301 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001358875867 1068372263 /nfs/dbraw/zinc/37/22/63/1068372263.db2.gz XQNYWWWHLQZIGO-LVXARBLLSA-N 1 0 474.653 4.167 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001358876905 1068374528 /nfs/dbraw/zinc/37/45/28/1068374528.db2.gz SSURYVQJYYXKRG-QZTJIDSGSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001358877413 1068375069 /nfs/dbraw/zinc/37/50/69/1068375069.db2.gz DGWFTUIIJQHKIL-MRXNPFEDSA-N 1 0 470.440 4.285 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001358877457 1068375849 /nfs/dbraw/zinc/37/58/49/1068375849.db2.gz FGRUKJXUHYPNQJ-ULQDDVLXSA-N 1 0 494.865 4.318 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358879200 1068377914 /nfs/dbraw/zinc/37/79/14/1068377914.db2.gz MOHYEJHRWQHZTG-VGOFRKELSA-N 1 0 462.013 4.333 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001358880606 1068379446 /nfs/dbraw/zinc/37/94/46/1068379446.db2.gz PHUVSPQVEAKITD-AEFFLSMTSA-N 1 0 460.420 4.049 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001358880293 1068379550 /nfs/dbraw/zinc/37/95/50/1068379550.db2.gz JDEWNAAOHCXIJM-WMZOPIPTSA-N 1 0 460.420 4.049 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001358881918 1068380943 /nfs/dbraw/zinc/38/09/43/1068380943.db2.gz PLDLWXKLCDACKS-PZJWPPBQSA-N 1 0 463.582 4.240 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1([NH+](C)C)CCSC1 ZINC001358897979 1068392972 /nfs/dbraw/zinc/39/29/72/1068392972.db2.gz JWPZPIPORMVOPW-YCRPNKLZSA-N 1 0 468.454 4.059 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1([NH+](C)C)CCSC1 ZINC001358897977 1068393109 /nfs/dbraw/zinc/39/31/09/1068393109.db2.gz JWPZPIPORMVOPW-QVKFZJNVSA-N 1 0 468.454 4.059 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358899576 1068396633 /nfs/dbraw/zinc/39/66/33/1068396633.db2.gz PXSCLLOWDMPRSH-RBBKRZOGSA-N 1 0 451.615 4.121 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001358901756 1068400805 /nfs/dbraw/zinc/40/08/05/1068400805.db2.gz VXUDHSVZSJZBDP-BDTNDASRSA-N 1 0 464.658 4.216 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001358901898 1068402728 /nfs/dbraw/zinc/40/27/28/1068402728.db2.gz ZLIBKXQABDPHBM-DHIUTWEWSA-N 1 0 499.663 4.154 20 30 JIEDRO C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001358904776 1068411280 /nfs/dbraw/zinc/41/12/80/1068411280.db2.gz LRUICYLPKZKHGT-LEWJYISDSA-N 1 0 469.605 4.050 20 30 JIEDRO C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001358905435 1068413089 /nfs/dbraw/zinc/41/30/89/1068413089.db2.gz ZQEKWFKSGLXHNB-CLJLJLNGSA-N 1 0 462.686 4.228 20 30 JIEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001300370987 1068423372 /nfs/dbraw/zinc/42/33/72/1068423372.db2.gz KPIOALAVCROPIL-RUZDIDTESA-N 1 0 462.686 4.319 20 30 JIEDRO C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001300376281 1068448656 /nfs/dbraw/zinc/44/86/56/1068448656.db2.gz IYRNNDXWBFEHKI-NJYVYQBISA-N 1 0 458.651 4.073 20 30 JIEDRO C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358938402 1068490055 /nfs/dbraw/zinc/49/00/55/1068490055.db2.gz AEOAMPUREHMHDM-OAQYLSRUSA-N 1 0 474.609 4.238 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001358940753 1068492144 /nfs/dbraw/zinc/49/21/44/1068492144.db2.gz JYTMHIVENBEQMN-HXUWFJFHSA-N 1 0 455.404 4.188 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001358942136 1068494255 /nfs/dbraw/zinc/49/42/55/1068494255.db2.gz KKQXULKWBMWQIB-HNNXBMFYSA-N 1 0 450.812 4.162 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001358943207 1068496168 /nfs/dbraw/zinc/49/61/68/1068496168.db2.gz ZWGTXESMORHOHM-IBGZPJMESA-N 1 0 458.448 4.453 20 30 JIEDRO C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001300392067 1068513786 /nfs/dbraw/zinc/51/37/86/1068513786.db2.gz YFUNKZBEHZUDDH-KRWDZBQOSA-N 1 0 462.411 4.428 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358986730 1068538851 /nfs/dbraw/zinc/53/88/51/1068538851.db2.gz FZADIBAMXNKNRO-GMAHTHKFSA-N 1 0 454.622 4.385 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCC1CC[NH+](CC)CC1 ZINC001358989151 1068549993 /nfs/dbraw/zinc/54/99/93/1068549993.db2.gz RKDOSXXICPEUHZ-UHFFFAOYSA-N 1 0 486.433 4.432 20 30 JIEDRO C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001358993059 1068556283 /nfs/dbraw/zinc/55/62/83/1068556283.db2.gz DWOOOCMQPFWECI-QHCPKHFHSA-N 1 0 496.700 4.120 20 30 JIEDRO C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358993603 1068557063 /nfs/dbraw/zinc/55/70/63/1068557063.db2.gz RWUQGLWXAZLHJW-XMMPIXPASA-N 1 0 498.716 4.222 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358994981 1068558509 /nfs/dbraw/zinc/55/85/09/1068558509.db2.gz AMDMOPIFSBBSRA-OYRHEFFESA-N 1 0 467.608 4.367 20 30 JIEDRO C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359002124 1068572896 /nfs/dbraw/zinc/57/28/96/1068572896.db2.gz OWNBGWPMXDQBHA-XMMPIXPASA-N 1 0 466.680 4.274 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359004554 1068579499 /nfs/dbraw/zinc/57/94/99/1068579499.db2.gz AQIYPSYDXFHHMF-SJORKVTESA-N 1 0 462.411 4.427 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001359005031 1068581207 /nfs/dbraw/zinc/58/12/07/1068581207.db2.gz SYYLVOVYSLJUGG-FQEVSTJZSA-N 1 0 465.623 4.320 20 30 JIEDRO C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359007402 1068581745 /nfs/dbraw/zinc/58/17/45/1068581745.db2.gz IMLJSOSZIZGUAZ-JOCHJYFZSA-N 1 0 489.649 4.060 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359008836 1068582918 /nfs/dbraw/zinc/58/29/18/1068582918.db2.gz BLKAZVGFFOCSHH-LOYIFYEOSA-N 1 0 486.705 4.363 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359014084 1068590024 /nfs/dbraw/zinc/59/00/24/1068590024.db2.gz WTUJOWUMKMBMKM-KRWDZBQOSA-N 1 0 450.414 4.355 20 30 JIEDRO C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359014599 1068592230 /nfs/dbraw/zinc/59/22/30/1068592230.db2.gz PAEJUEARLGSWHN-UHFFFAOYSA-N 1 0 485.723 4.400 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001359017228 1068601754 /nfs/dbraw/zinc/60/17/54/1068601754.db2.gz XULAWECXZXJNQY-NOZRDPDXSA-N 1 0 467.633 4.462 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359017648 1068603297 /nfs/dbraw/zinc/60/32/97/1068603297.db2.gz MTLPITOUTJNCID-DEOSSOPVSA-N 1 0 474.609 4.407 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359021390 1068622729 /nfs/dbraw/zinc/62/27/29/1068622729.db2.gz NFMXJJDCGLOXIL-OAQYLSRUSA-N 1 0 460.626 4.090 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359021522 1068623928 /nfs/dbraw/zinc/62/39/28/1068623928.db2.gz RHRSEBTZYLUIPB-SFHVURJKSA-N 1 0 492.437 4.053 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001359032167 1068643771 /nfs/dbraw/zinc/64/37/71/1068643771.db2.gz DXEXRFWITNLQBS-HXUWFJFHSA-N 1 0 489.476 4.372 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359040942 1068654850 /nfs/dbraw/zinc/65/48/50/1068654850.db2.gz JZNPPOHKZDPSDI-GIFXNVAJSA-N 1 0 490.696 4.058 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359042015 1068657104 /nfs/dbraw/zinc/65/71/04/1068657104.db2.gz OOKUSCNGYBHRNF-NRFANRHFSA-N 1 0 497.087 4.076 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359042619 1068660191 /nfs/dbraw/zinc/66/01/91/1068660191.db2.gz NMSCYJROTDKZRE-NFQMXDRXSA-N 1 0 497.087 4.075 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359049750 1068669570 /nfs/dbraw/zinc/66/95/70/1068669570.db2.gz VNTFEPWIKXZGCW-YADHBBJMSA-N 1 0 453.656 4.076 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001359051481 1068677648 /nfs/dbraw/zinc/67/76/48/1068677648.db2.gz YCMRCAKJJKICTL-MRXNPFEDSA-N 1 0 482.517 4.304 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCC[NH+]1CCCC1 ZINC001359063682 1068705235 /nfs/dbraw/zinc/70/52/35/1068705235.db2.gz AYJWVYGTTGJIOU-QFQXNSOFSA-N 1 0 451.615 4.295 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C1CC1)[NH+](C)C ZINC001359065778 1068710208 /nfs/dbraw/zinc/71/02/08/1068710208.db2.gz BKWIJGFSKQWLMF-DENIHFKCSA-N 1 0 460.395 4.179 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[N@H+]1CC ZINC001359067201 1068715034 /nfs/dbraw/zinc/71/50/34/1068715034.db2.gz DUHRYASUDCABAW-VGOFRKELSA-N 1 0 460.395 4.323 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001359073089 1068725232 /nfs/dbraw/zinc/72/52/32/1068725232.db2.gz BWFXPVGTTWGETL-ISJBWFOZSA-N 1 0 482.698 4.020 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359072694 1068725830 /nfs/dbraw/zinc/72/58/30/1068725830.db2.gz OERJEJODBLYMKC-ATIYNZHBSA-N 1 0 463.651 4.428 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001359073478 1068727460 /nfs/dbraw/zinc/72/74/60/1068727460.db2.gz RFVMIWYYBNBEKD-MUAVYFROSA-N 1 0 492.712 4.173 20 30 JIEDRO C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001359087595 1068770649 /nfs/dbraw/zinc/77/06/49/1068770649.db2.gz KYZKKDAFUIKOSJ-KRWDZBQOSA-N 1 0 466.811 4.094 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001359096020 1068801312 /nfs/dbraw/zinc/80/13/12/1068801312.db2.gz VUTQSEFDFGVWLL-FVJLSDCUSA-N 1 0 492.437 4.358 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001359097333 1068802623 /nfs/dbraw/zinc/80/26/23/1068802623.db2.gz NSKXKJCGNQHWBC-RPWUZVMVSA-N 1 0 452.647 4.270 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001359107838 1068817494 /nfs/dbraw/zinc/81/74/94/1068817494.db2.gz WSEFMXGFWARPRQ-CYFREDJKSA-N 1 0 462.038 4.157 20 30 JIEDRO C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001359111658 1068821538 /nfs/dbraw/zinc/82/15/38/1068821538.db2.gz INBZFPFYUSQTNY-NRFANRHFSA-N 1 0 477.657 4.370 20 30 JIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001200525941 1068822588 /nfs/dbraw/zinc/82/25/88/1068822588.db2.gz KNIGYCZWTVPXRA-UHFFFAOYSA-N 1 0 450.398 4.193 20 30 JIEDRO C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001359117083 1068826326 /nfs/dbraw/zinc/82/63/26/1068826326.db2.gz CQJFZPQXRNCXCZ-GGAORHGYSA-N 1 0 487.092 4.481 20 30 JIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359117667 1068827354 /nfs/dbraw/zinc/82/73/54/1068827354.db2.gz NIVKZOUZMJEKEQ-QFIPXVFZSA-N 1 0 453.631 4.160 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001359118952 1068829653 /nfs/dbraw/zinc/82/96/53/1068829653.db2.gz MURDAFVSPRYCFR-MRXNPFEDSA-N 1 0 468.465 4.282 20 30 JIEDRO C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359122741 1068833798 /nfs/dbraw/zinc/83/37/98/1068833798.db2.gz SWMLJYLXSOHSTE-OYRHEFFESA-N 1 0 457.066 4.093 20 30 JIEDRO C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001359123464 1068834091 /nfs/dbraw/zinc/83/40/91/1068834091.db2.gz PAPUPKVRHLBSJG-HSZRJFAPSA-N 1 0 487.092 4.044 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359136341 1068846173 /nfs/dbraw/zinc/84/61/73/1068846173.db2.gz GTNCWHPLHDGHLC-UHFFFAOYSA-N 1 0 453.631 4.131 20 30 JIEDRO C=C(Cn1c(CC(C)(C)C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC001359139899 1068849703 /nfs/dbraw/zinc/84/97/03/1068849703.db2.gz HXNWUUGCUCURNY-UHFFFAOYSA-N 1 0 461.658 4.377 20 30 JIEDRO C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001359152484 1068863196 /nfs/dbraw/zinc/86/31/96/1068863196.db2.gz YPOJVFNTVBTKCD-HXUWFJFHSA-N 1 0 452.430 4.212 20 30 JIEDRO C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001359158148 1068869950 /nfs/dbraw/zinc/86/99/50/1068869950.db2.gz HJFZHSJINAXAKT-FQEVSTJZSA-N 1 0 471.049 4.138 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001359162226 1068873214 /nfs/dbraw/zinc/87/32/14/1068873214.db2.gz JJXPPFDHBOWDNN-HSZRJFAPSA-N 1 0 483.657 4.256 20 30 JIEDRO C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001359162524 1068873602 /nfs/dbraw/zinc/87/36/02/1068873602.db2.gz UIXVIEYRKCYUNM-NRFANRHFSA-N 1 0 480.451 4.440 20 30 JIEDRO C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](CC)CCC)CC1 ZINC001359165107 1068875177 /nfs/dbraw/zinc/87/51/77/1068875177.db2.gz GYANHCPQJWWUOG-UHFFFAOYSA-N 1 0 460.667 4.281 20 30 JIEDRO C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001359171999 1068883617 /nfs/dbraw/zinc/88/36/17/1068883617.db2.gz HKICBKIDBIFDBO-NRFANRHFSA-N 1 0 456.660 4.061 20 30 JIEDRO C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001359173449 1068885437 /nfs/dbraw/zinc/88/54/37/1068885437.db2.gz GRSVDQLDXFUOPI-DENIHFKCSA-N 1 0 474.049 4.321 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001359174948 1068888062 /nfs/dbraw/zinc/88/80/62/1068888062.db2.gz UWUOTHHWGAQIQL-IRXDYDNUSA-N 1 0 491.478 4.326 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001359176642 1068890570 /nfs/dbraw/zinc/89/05/70/1068890570.db2.gz IOXQCJMWLMSGSA-DEOSSOPVSA-N 1 0 467.658 4.493 20 30 JIEDRO C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001359182187 1068905690 /nfs/dbraw/zinc/90/56/90/1068905690.db2.gz WAKXNHZAJXUDFT-UHFFFAOYSA-N 1 0 468.715 4.307 20 30 JIEDRO C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001359182269 1068906520 /nfs/dbraw/zinc/90/65/20/1068906520.db2.gz ZKJZKNDOZGQYAR-UHFFFAOYSA-N 1 0 484.714 4.007 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300519950 1068908746 /nfs/dbraw/zinc/90/87/46/1068908746.db2.gz BIHWJIVDVBVZBB-ICSRJNTNSA-N 1 0 468.443 4.209 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001359186230 1068919554 /nfs/dbraw/zinc/91/95/54/1068919554.db2.gz YWYASZQFCBPLJH-FQEVSTJZSA-N 1 0 453.631 4.246 20 30 JIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1cccc(Br)c1C#N ZINC001354146882 1068930815 /nfs/dbraw/zinc/93/08/15/1068930815.db2.gz FAQFPCXTAIFTSD-IBGZPJMESA-N 1 0 456.384 4.070 20 30 JIEDRO C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001359209934 1068991402 /nfs/dbraw/zinc/99/14/02/1068991402.db2.gz DQKQJIIKYGLCCO-IRXDYDNUSA-N 1 0 460.420 4.355 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001300552121 1069002319 /nfs/dbraw/zinc/00/23/19/1069002319.db2.gz NQCKONMEOLKLQU-OAQYLSRUSA-N 1 0 450.631 4.128 20 30 JIEDRO C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001359223105 1069012859 /nfs/dbraw/zinc/01/28/59/1069012859.db2.gz AQUMVRILIRRBQX-UHFFFAOYSA-N 1 0 460.582 4.023 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300559658 1069026928 /nfs/dbraw/zinc/02/69/28/1069026928.db2.gz WMYQXBPIMXYVKW-JOCHJYFZSA-N 1 0 454.622 4.387 20 30 JIEDRO C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001359231948 1069028971 /nfs/dbraw/zinc/02/89/71/1069028971.db2.gz JPEYQSVLNXTAMF-LJQANCHMSA-N 1 0 460.022 4.339 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+](C)CCCC ZINC001300562061 1069035399 /nfs/dbraw/zinc/03/53/99/1069035399.db2.gz ZPQJKTWDUKLGOU-UHFFFAOYSA-N 1 0 460.395 4.042 20 30 JIEDRO C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359239179 1069039722 /nfs/dbraw/zinc/03/97/22/1069039722.db2.gz HPXUJDVRUAJEGO-HXUWFJFHSA-N 1 0 486.686 4.135 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001300563373 1069040429 /nfs/dbraw/zinc/04/04/29/1069040429.db2.gz HUNQLJOIHSMXKV-FPOVZHCZSA-N 1 0 461.635 4.490 20 30 JIEDRO C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001359245324 1069055565 /nfs/dbraw/zinc/05/55/65/1069055565.db2.gz KLEWJKYSFWTAQP-NRFANRHFSA-N 1 0 454.619 4.082 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001300569155 1069069991 /nfs/dbraw/zinc/06/99/91/1069069991.db2.gz DFXJYDHUCQWXMZ-OAQYLSRUSA-N 1 0 498.469 4.444 20 30 JIEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 ZINC000849501736 1069075628 /nfs/dbraw/zinc/07/56/28/1069075628.db2.gz ACWCMNZRAQNVJX-RTBURBONSA-N 1 0 488.539 4.032 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001300587912 1069140359 /nfs/dbraw/zinc/14/03/59/1069140359.db2.gz WSAVHHVSVSWVFW-HXUWFJFHSA-N 1 0 460.651 4.226 20 30 JIEDRO C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+](CC)CC)C1CC1 ZINC001359250682 1069154359 /nfs/dbraw/zinc/15/43/59/1069154359.db2.gz REOCSDJRJAGENS-LJQANCHMSA-N 1 0 460.667 4.278 20 30 JIEDRO C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300597429 1069177259 /nfs/dbraw/zinc/17/72/59/1069177259.db2.gz HWYRPUYKIAYJPO-DEOSSOPVSA-N 1 0 462.642 4.404 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001300609585 1069211950 /nfs/dbraw/zinc/21/19/50/1069211950.db2.gz RSWHHUBLNXVNFX-SFHVURJKSA-N 1 0 462.436 4.152 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359256859 1069252053 /nfs/dbraw/zinc/25/20/53/1069252053.db2.gz RVMBJWIIECEPBF-QHCPKHFHSA-N 1 0 469.637 4.449 20 30 JIEDRO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849602709 1069260563 /nfs/dbraw/zinc/26/05/63/1069260563.db2.gz QBBZGGCIEOWQCC-RBUKOAKNSA-N 1 0 461.404 4.200 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359261048 1069282601 /nfs/dbraw/zinc/28/26/01/1069282601.db2.gz VBEUGZQHPKAOOS-KNQAVFIVSA-N 1 0 455.603 4.478 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359261047 1069282713 /nfs/dbraw/zinc/28/27/13/1069282713.db2.gz VBEUGZQHPKAOOS-DENIHFKCSA-N 1 0 455.603 4.478 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001359265035 1069298092 /nfs/dbraw/zinc/29/80/92/1069298092.db2.gz WLJWUOQOWMKHOA-JOCHJYFZSA-N 1 0 481.641 4.030 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2c(C)cccc2C1)C(C)C ZINC001359265198 1069299264 /nfs/dbraw/zinc/29/92/64/1069299264.db2.gz ANTPEUGJXJMRQR-VWLOTQADSA-N 1 0 457.626 4.305 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001359265477 1069300338 /nfs/dbraw/zinc/30/03/38/1069300338.db2.gz GQGJBCUJMMUXLY-LADGPHEKSA-N 1 0 466.674 4.114 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(SC)CC[NH+](C)CC1 ZINC001359267939 1069304428 /nfs/dbraw/zinc/30/44/28/1069304428.db2.gz XWGPPVRCTZQENL-UHFFFAOYSA-N 1 0 465.465 4.042 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359269199 1069307319 /nfs/dbraw/zinc/30/73/19/1069307319.db2.gz SFFDRSKAZYHJNB-LJQANCHMSA-N 1 0 451.596 4.259 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359270504 1069308671 /nfs/dbraw/zinc/30/86/71/1069308671.db2.gz RKHKTYTYQROXED-LYZGTLIUSA-N 1 0 489.668 4.364 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C4(C#N)CCC4)cn3)CC2)c2ccccc21 ZINC001164680826 719668228 /nfs/dbraw/zinc/66/82/28/719668228.db2.gz HVAPQKAYVCMVDP-JOCHJYFZSA-N 1 0 471.649 4.120 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)c(Cl)cc3C#N)CC2)c2ccccc21 ZINC001164680771 719669227 /nfs/dbraw/zinc/66/92/27/719669227.db2.gz HMKCPFUEDXWCHL-KRWDZBQOSA-N 1 0 486.447 4.353 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164710599 720098529 /nfs/dbraw/zinc/09/85/29/720098529.db2.gz JQXPFFMRHGTVIK-UIOOFZCWSA-N 1 0 482.632 4.343 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)c(C)c1C#N)CC2 ZINC001164710279 720104350 /nfs/dbraw/zinc/10/43/50/720104350.db2.gz IHHZQTFHWWLDRZ-GOSISDBHSA-N 1 0 460.409 4.471 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164714928 720121625 /nfs/dbraw/zinc/12/16/25/720121625.db2.gz FNOSHDHCQCOHJE-LJQANCHMSA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164719128 720126464 /nfs/dbraw/zinc/12/64/64/720126464.db2.gz WNHXJIRVKIVUED-LADGPHEKSA-N 1 0 486.595 4.174 20 30 JIEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164835868 720564046 /nfs/dbraw/zinc/56/40/46/720564046.db2.gz ISOGZXGJSUTYOG-MQSCRBSSSA-N 1 0 473.650 4.311 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@@H]21 ZINC001164839773 720642032 /nfs/dbraw/zinc/64/20/32/720642032.db2.gz OOFLDPOIJVQBOM-ONTIZHBOSA-N 1 0 478.000 4.368 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@@H]21 ZINC001164842840 720643186 /nfs/dbraw/zinc/64/31/86/720643186.db2.gz VUUXXMGEJOMPSQ-HKBOAZHASA-N 1 0 478.000 4.368 20 30 JIEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843704 720677951 /nfs/dbraw/zinc/67/79/51/720677951.db2.gz QNOJVBZILARVGU-FQEVSTJZSA-N 1 0 468.985 4.043 20 30 JIEDRO N#Cc1ccc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164756884 720884888 /nfs/dbraw/zinc/88/48/88/720884888.db2.gz RVNCNFQSFSDCMX-LEAFIULHSA-N 1 0 453.590 4.257 20 30 JIEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753240 720897554 /nfs/dbraw/zinc/89/75/54/720897554.db2.gz GHALQJCGLRATKF-IAPPQJPRSA-N 1 0 474.725 4.461 20 30 JIEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748058 720932910 /nfs/dbraw/zinc/93/29/10/720932910.db2.gz FLFVQIHGDIZSGT-DVECYGJZSA-N 1 0 472.420 4.410 20 30 JIEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966919 722062024 /nfs/dbraw/zinc/06/20/24/722062024.db2.gz ZCHOUFYVPYROQP-UHFFFAOYSA-N 1 0 490.995 4.308 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@H+]1CC ZINC001300641906 1069309948 /nfs/dbraw/zinc/30/99/48/1069309948.db2.gz FDUXMUSRVVPPKZ-OAQYLSRUSA-N 1 0 499.432 4.309 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300643168 1069312038 /nfs/dbraw/zinc/31/20/38/1069312038.db2.gz PYMZSIKAPOMHQE-FGZHOGPDSA-N 1 0 462.617 4.431 20 30 JIEDRO C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359276747 1069314372 /nfs/dbraw/zinc/31/43/72/1069314372.db2.gz ODYYSAWDLMOBOZ-FQEVSTJZSA-N 1 0 451.619 4.017 20 30 JIEDRO C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359276748 1069314683 /nfs/dbraw/zinc/31/46/83/1069314683.db2.gz ODYYSAWDLMOBOZ-HXUWFJFHSA-N 1 0 451.619 4.017 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359278799 1069318303 /nfs/dbraw/zinc/31/83/03/1069318303.db2.gz HOAHCIWCCZQDFX-OYRHEFFESA-N 1 0 450.631 4.212 20 30 JIEDRO C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359309091 1069351378 /nfs/dbraw/zinc/35/13/78/1069351378.db2.gz IAAOTNSXKLMICI-UHFFFAOYSA-N 1 0 462.642 4.453 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300657088 1069354836 /nfs/dbraw/zinc/35/48/36/1069354836.db2.gz GMGXBOMWWLJLTE-ZJSXRUAMSA-N 1 0 479.650 4.184 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300656418 1069352387 /nfs/dbraw/zinc/35/23/87/1069352387.db2.gz GYDVUIBSCDUIHR-HXUWFJFHSA-N 1 0 469.699 4.482 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC1CC[NH+](CC)CC1 ZINC001300657382 1069356866 /nfs/dbraw/zinc/35/68/66/1069356866.db2.gz KXSKIFNIDBCNDH-UHFFFAOYSA-N 1 0 492.437 4.055 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001359316580 1069368985 /nfs/dbraw/zinc/36/89/85/1069368985.db2.gz RMYQSJGMJGXCQM-VQTJNVASSA-N 1 0 460.022 4.263 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001359322867 1069374933 /nfs/dbraw/zinc/37/49/33/1069374933.db2.gz DIYCIGFYXPBQGV-XZOQPEGZSA-N 1 0 466.655 4.026 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001359323908 1069376663 /nfs/dbraw/zinc/37/66/63/1069376663.db2.gz ZFGZVLSJWXMWDF-CTNGQTDRSA-N 1 0 455.603 4.154 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300664431 1069383279 /nfs/dbraw/zinc/38/32/79/1069383279.db2.gz BSSIKGJQDDNSTG-AUSIDOKSSA-N 1 0 467.614 4.315 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300664432 1069383372 /nfs/dbraw/zinc/38/33/72/1069383372.db2.gz BSSIKGJQDDNSTG-CVDCTZTESA-N 1 0 467.614 4.315 20 30 JIEDRO C=CCSCCn1c(-c2cccn2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001359340681 1069403945 /nfs/dbraw/zinc/40/39/45/1069403945.db2.gz VPHZHYZFYOCRGL-UHFFFAOYSA-N 1 0 450.656 4.304 20 30 JIEDRO C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001359343591 1069410034 /nfs/dbraw/zinc/41/00/34/1069410034.db2.gz WPQPLYQSBHHFHI-QHCPKHFHSA-N 1 0 471.671 4.266 20 30 JIEDRO C=CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001359345709 1069414913 /nfs/dbraw/zinc/41/49/13/1069414913.db2.gz ODEAHRBJJZDDRB-DHIUTWEWSA-N 1 0 468.715 4.044 20 30 JIEDRO C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001359346098 1069416199 /nfs/dbraw/zinc/41/61/99/1069416199.db2.gz AYCJQPBXBWEAOG-DNQXCXABSA-N 1 0 483.726 4.481 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300677499 1069431123 /nfs/dbraw/zinc/43/11/23/1069431123.db2.gz XWLHPRPPKPVEOG-NBGIEHNGSA-N 1 0 486.661 4.389 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001359466934 1069602595 /nfs/dbraw/zinc/60/25/95/1069602595.db2.gz JXOOYPISLLSLDS-ROUUACIJSA-N 1 0 484.446 4.162 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCC1 ZINC001359467928 1069606092 /nfs/dbraw/zinc/60/60/92/1069606092.db2.gz AQWUXNLNKSHFQG-AWEZNQCLSA-N 1 0 451.800 4.053 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359474982 1069627780 /nfs/dbraw/zinc/62/77/80/1069627780.db2.gz ZWGHPIUIUINUIZ-AUSIDOKSSA-N 1 0 452.603 4.041 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359476372 1069631719 /nfs/dbraw/zinc/63/17/19/1069631719.db2.gz CMLRNEAPQNQKNJ-BVYCBKJFSA-N 1 0 499.635 4.388 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359478760 1069643933 /nfs/dbraw/zinc/64/39/33/1069643933.db2.gz ZULXHAPFDVFWFK-STZQEDGTSA-N 1 0 456.610 4.064 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001359478732 1069643683 /nfs/dbraw/zinc/64/36/83/1069643683.db2.gz ZGMXHQUJHFERBD-DNVJHFABSA-N 1 0 486.705 4.075 20 30 JIEDRO CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCC[NH+]2CCCC2)CCO1 ZINC001359524175 1069812546 /nfs/dbraw/zinc/81/25/46/1069812546.db2.gz BSNAMVPMFAFMQW-DEOSSOPVSA-N 1 0 480.657 4.246 20 30 JIEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001359546429 1069850414 /nfs/dbraw/zinc/85/04/14/1069850414.db2.gz DXDQXFCPGLBECC-MHZLTWQESA-N 1 0 464.658 4.316 20 30 JIEDRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC001359598411 1070055002 /nfs/dbraw/zinc/05/50/02/1070055002.db2.gz ZZEUQFSFJYGNAP-UHFFFAOYSA-N 1 0 474.451 4.288 20 30 JIEDRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001359627211 1070126163 /nfs/dbraw/zinc/12/61/63/1070126163.db2.gz FEYFMHKXQJMRHS-LADGPHEKSA-N 1 0 491.684 4.070 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001359658727 1070259472 /nfs/dbraw/zinc/25/94/72/1070259472.db2.gz ICSLLKBISRWUOP-OAQYLSRUSA-N 1 0 475.424 4.073 20 30 JIEDRO CC(C)c1csc([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCOCC[NH+](C)C)C2)n1 ZINC001359669555 1070310692 /nfs/dbraw/zinc/31/06/92/1070310692.db2.gz PJBBUQHKCMXTHG-QFIPXVFZSA-N 1 0 493.681 4.359 20 30 JIEDRO CC(C)c1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)cn1 ZINC001359675469 1070328754 /nfs/dbraw/zinc/32/87/54/1070328754.db2.gz NICPQIOVRALZNE-UHFFFAOYSA-N 1 0 488.640 4.153 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001315530574 1064514327 /nfs/dbraw/zinc/51/43/27/1064514327.db2.gz YDMABTHRJZJXKE-SZPZYZBQSA-N 1 0 480.657 4.364 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001315621339 1064756111 /nfs/dbraw/zinc/75/61/11/1064756111.db2.gz DHMJPZRGRPETNL-LEWJYISDSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315660348 1064857347 /nfs/dbraw/zinc/85/73/47/1064857347.db2.gz FOBYNJSCBQFTPI-LJQANCHMSA-N 1 0 456.660 4.297 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CC1(SC)CC[NH+](C)CC1 ZINC001315660317 1064857423 /nfs/dbraw/zinc/85/74/23/1064857423.db2.gz DXFVVNTZHZKZID-SFHVURJKSA-N 1 0 474.700 4.002 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001315667988 1064889409 /nfs/dbraw/zinc/88/94/09/1064889409.db2.gz RYGLSZARMQYZMV-LVXARBLLSA-N 1 0 498.697 4.210 20 30 JIEDRO CO[C@@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001315691968 1064948970 /nfs/dbraw/zinc/94/89/70/1064948970.db2.gz RUSHFDDLZXQWMH-DNQXCXABSA-N 1 0 464.658 4.266 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC001315702243 1064966308 /nfs/dbraw/zinc/96/63/08/1064966308.db2.gz AUSQWELPKUCFIU-VWNXMTODSA-N 1 0 478.685 4.500 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC[C@H]1C ZINC001315718444 1065011668 /nfs/dbraw/zinc/01/16/68/1065011668.db2.gz OWRVSZJYNUYWCR-CTUHWIOQSA-N 1 0 450.631 4.188 20 30 JIEDRO CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1(C)C ZINC001315736237 1065038249 /nfs/dbraw/zinc/03/82/49/1065038249.db2.gz NTFGRTOYJXCXAL-VWLOTQADSA-N 1 0 494.684 4.348 20 30 JIEDRO COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCC1 ZINC001315844195 1065231737 /nfs/dbraw/zinc/23/17/37/1065231737.db2.gz QDVFHOAWAVYIRS-UHFFFAOYSA-N 1 0 450.631 4.190 20 30 JIEDRO COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001315885807 1065333329 /nfs/dbraw/zinc/33/33/29/1065333329.db2.gz PJTHSNOTCFJJRH-RBBKRZOGSA-N 1 0 464.639 4.434 20 30 JIEDRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001315886271 1065334505 /nfs/dbraw/zinc/33/45/05/1065334505.db2.gz DEKLSXKZEGNSTJ-HSZRJFAPSA-N 1 0 480.657 4.246 20 30 JIEDRO COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315894100 1065358017 /nfs/dbraw/zinc/35/80/17/1065358017.db2.gz ZOYYUQTVFZRXMR-PKTZIBPZSA-N 1 0 450.631 4.048 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001316002003 1065585710 /nfs/dbraw/zinc/58/57/10/1065585710.db2.gz GGQSBQHALMKEEL-MRCUYLHHSA-N 1 0 480.657 4.102 20 30 JIEDRO COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001316091297 1065748908 /nfs/dbraw/zinc/74/89/08/1065748908.db2.gz GCNRBZMWXCAKHB-RTWAWAEBSA-N 1 0 476.625 4.492 20 30 JIEDRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C ZINC001316126408 1065798834 /nfs/dbraw/zinc/79/88/34/1065798834.db2.gz WZTZYIQHQFDPDF-DUXKGJEZSA-N 1 0 476.547 4.267 20 30 JIEDRO CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316372570 1066124952 /nfs/dbraw/zinc/12/49/52/1066124952.db2.gz URJRXVRHMBAYFQ-UHFFFAOYSA-N 1 0 496.706 4.297 20 30 JIEDRO CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)CC[NH+](C)CC1 ZINC001316402002 1066180262 /nfs/dbraw/zinc/18/02/62/1066180262.db2.gz JFTFLAKEQXALDC-UHFFFAOYSA-N 1 0 467.668 4.046 20 30 JIEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1=S ZINC001318168934 1066936154 /nfs/dbraw/zinc/93/61/54/1066936154.db2.gz YKDXQEZLZNZYEL-XMMPIXPASA-N 1 0 480.682 4.034 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001300691196 1067040529 /nfs/dbraw/zinc/04/05/29/1067040529.db2.gz ZMUSWFFOKFBCOL-UHFFFAOYSA-N 1 0 490.618 4.272 20 30 JIEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001300708032 1067077132 /nfs/dbraw/zinc/07/71/32/1067077132.db2.gz MAACULIDNHZGCV-VWLOTQADSA-N 1 0 492.712 4.309 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001300716622 1067094683 /nfs/dbraw/zinc/09/46/83/1067094683.db2.gz OEOWGDSZZAEWPH-DEOSSOPVSA-N 1 0 497.087 4.075 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300733057 1067175676 /nfs/dbraw/zinc/17/56/76/1067175676.db2.gz HNSNGEDILAOQRL-JOCHJYFZSA-N 1 0 467.683 4.466 20 30 JIEDRO C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001300769865 1067317299 /nfs/dbraw/zinc/31/72/99/1067317299.db2.gz LCGGEGXXKVBXSY-VXKWHMMOSA-N 1 0 467.683 4.328 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300786762 1067349957 /nfs/dbraw/zinc/34/99/57/1067349957.db2.gz PSKADZADTWVVFY-OYRHEFFESA-N 1 0 480.657 4.100 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001300789216 1067356693 /nfs/dbraw/zinc/35/66/93/1067356693.db2.gz CDQRKVAQNPHNEM-VGOFRKELSA-N 1 0 492.487 4.262 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[N@@H+](C)CCOC ZINC001300789534 1067357765 /nfs/dbraw/zinc/35/77/65/1067357765.db2.gz OUHOADPNCZWOAE-KBMIEXCESA-N 1 0 455.672 4.092 20 30 JIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001356283354 1067716414 /nfs/dbraw/zinc/71/64/14/1067716414.db2.gz PWCKCJRCGSVJBU-UHFFFAOYSA-N 1 0 452.599 4.410 20 30 JIEDRO C#CC[C@]1(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CCCN1C(=O)OC(C)(C)C ZINC001356352832 1067732920 /nfs/dbraw/zinc/73/29/20/1067732920.db2.gz PJGVAWOURIZODW-RUZDIDTESA-N 1 0 457.640 4.275 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300119983 1067735566 /nfs/dbraw/zinc/73/55/66/1067735566.db2.gz CHYBHNPJVAZDNY-CUNXSJBXSA-N 1 0 464.658 4.322 20 30 JIEDRO 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C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001359146438 1068858786 /nfs/dbraw/zinc/85/87/86/1068858786.db2.gz YSRNAKJFJJOSMO-KDURUIRLSA-N 1 0 493.483 4.354 20 30 JIEDRO COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001300494018 1068861668 /nfs/dbraw/zinc/86/16/68/1068861668.db2.gz ZWGITZSRCXWMBK-VWLOTQADSA-N 1 0 454.594 4.154 20 30 JIEDRO C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001359173799 1068885882 /nfs/dbraw/zinc/88/58/82/1068885882.db2.gz ONEWWMZKGIJTND-UUOWRZLLSA-N 1 0 459.635 4.397 20 30 JIEDRO C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001359174289 1068886343 /nfs/dbraw/zinc/88/63/43/1068886343.db2.gz ZORQUBQFZJFNSD-JOCHJYFZSA-N 1 0 467.658 4.284 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001359174535 1068886602 /nfs/dbraw/zinc/88/66/02/1068886602.db2.gz GHLIEDWBXADICJ-HXUWFJFHSA-N 1 0 469.630 4.105 20 30 JIEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001359175770 1068888812 /nfs/dbraw/zinc/88/88/12/1068888812.db2.gz YTYWWIQMKNNBPK-FQRUVTKNSA-N 1 0 485.698 4.262 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001359176100 1068889586 /nfs/dbraw/zinc/88/95/86/1068889586.db2.gz MIQJXKVESDHVDL-UHFFFAOYSA-N 1 0 461.029 4.166 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001300511759 1068890067 /nfs/dbraw/zinc/89/00/67/1068890067.db2.gz KZNUUDSYWVUTCU-RUZDIDTESA-N 1 0 452.606 4.245 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300513603 1068894421 /nfs/dbraw/zinc/89/44/21/1068894421.db2.gz ZUKXWOCDUXLHTJ-FQEVSTJZSA-N 1 0 454.018 4.409 20 30 JIEDRO C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001359181205 1068903411 /nfs/dbraw/zinc/90/34/11/1068903411.db2.gz JPBMVJHLLQJZDY-NRFANRHFSA-N 1 0 470.687 4.040 20 30 JIEDRO 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C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C ZINC001359264767 1069297071 /nfs/dbraw/zinc/29/70/71/1069297071.db2.gz OYGZIZCMEJJOHQ-QTJGBDASSA-N 1 0 497.087 4.354 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300638263 1069297881 /nfs/dbraw/zinc/29/78/81/1069297881.db2.gz QDUVSHXKAVDNCZ-CJFMBICVSA-N 1 0 479.650 4.470 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)C(C)C ZINC001359265234 1069299658 /nfs/dbraw/zinc/29/96/58/1069299658.db2.gz BNOMFLQNCVQCSY-MZURWIMNSA-N 1 0 451.663 4.392 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2ccc(F)cc2C1)C(C)C ZINC001359266366 1069301320 /nfs/dbraw/zinc/30/13/20/1069301320.db2.gz ZEUDSUFHKONLHK-XUZZJYLKSA-N 1 0 453.606 4.182 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(F)cc2C1)C(C)C ZINC001359266364 1069301718 /nfs/dbraw/zinc/30/17/18/1069301718.db2.gz ZEUDSUFHKONLHK-QPPBQGQZSA-N 1 0 453.606 4.182 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001359267990 1069304410 /nfs/dbraw/zinc/30/44/10/1069304410.db2.gz ZFLKDMJUBVLESS-QFIPXVFZSA-N 1 0 492.487 4.332 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001300641137 1069307733 /nfs/dbraw/zinc/30/77/33/1069307733.db2.gz CGGLHMHLGDNGIK-BDTNDASRSA-N 1 0 496.656 4.329 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001359269303 1069307754 /nfs/dbraw/zinc/30/77/54/1069307754.db2.gz WFBKISBFAWKPHR-LJQANCHMSA-N 1 0 492.437 4.382 20 30 JIEDRO C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359272090 1069309881 /nfs/dbraw/zinc/30/98/81/1069309881.db2.gz KONAUOBRTPLPRN-IMSXRSKXSA-N 1 0 451.615 4.337 20 30 JIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2 ZINC001164813370 720203063 /nfs/dbraw/zinc/20/30/63/720203063.db2.gz OZTOXLMLGVAUBY-GBXCKJPGSA-N 1 0 487.982 4.398 20 30 JIEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1 ZINC001164829375 720356587 /nfs/dbraw/zinc/35/65/87/720356587.db2.gz RSFALRXPKRQRGS-VQTJNVASSA-N 1 0 472.420 4.325 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164822731 720357297 /nfs/dbraw/zinc/35/72/97/720357297.db2.gz DUWKDQKFZLCMDE-RTWAWAEBSA-N 1 0 469.992 4.119 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839777 720642659 /nfs/dbraw/zinc/64/26/59/720642659.db2.gz OOFLDPOIJVQBOM-RZUBCFFCSA-N 1 0 478.000 4.368 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842844 720643441 /nfs/dbraw/zinc/64/34/41/720643441.db2.gz VUUXXMGEJOMPSQ-QHAWAJNXSA-N 1 0 478.000 4.368 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC[C@@H]21 ZINC001164842803 720649116 /nfs/dbraw/zinc/64/91/16/720649116.db2.gz UHQQDEGAXBWFFP-ZJBJCVSYSA-N 1 0 452.965 4.473 20 30 JIEDRO 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N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751749 720899381 /nfs/dbraw/zinc/89/93/81/720899381.db2.gz DGGWGMKIDUWLSP-ZJSXRUAMSA-N 1 0 487.982 4.302 20 30 JIEDRO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001359278013 1069317249 /nfs/dbraw/zinc/31/72/49/1069317249.db2.gz DZOJWFNNHARFKL-QHCPKHFHSA-N 1 0 496.656 4.440 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCCC1 ZINC001359278646 1069317953 /nfs/dbraw/zinc/31/79/53/1069317953.db2.gz BGWMRGGKJNIKJL-UHFFFAOYSA-N 1 0 462.436 4.221 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC[N@H+]1CC ZINC001359278936 1069318547 /nfs/dbraw/zinc/31/85/47/1069318547.db2.gz MBDOIWDWXRBURT-KRWDZBQOSA-N 1 0 482.854 4.484 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCC[N@H+]1CC ZINC001359279080 1069318834 /nfs/dbraw/zinc/31/88/34/1069318834.db2.gz RZBVKELIFMGMAM-SFHVURJKSA-N 1 0 480.426 4.360 20 30 JIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001359283395 1069325124 /nfs/dbraw/zinc/32/51/24/1069325124.db2.gz MYUXCLSXFAGRRE-QFIPXVFZSA-N 1 0 463.630 4.018 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300648470 1069326264 /nfs/dbraw/zinc/32/62/64/1069326264.db2.gz DYYYDUIEFFLWFG-JOCHJYFZSA-N 1 0 460.601 4.307 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001300656474 1069352502 /nfs/dbraw/zinc/35/25/02/1069352502.db2.gz HORFOCLFDPATQJ-UHFFFAOYSA-N 1 0 474.447 4.058 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300657199 1069355734 /nfs/dbraw/zinc/35/57/34/1069355734.db2.gz WBZWWKFEMLLUKP-KRWDZBQOSA-N 1 0 494.865 4.179 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001359312106 1069355970 /nfs/dbraw/zinc/35/59/70/1069355970.db2.gz NVCMJOYIHFEGQA-BJKOFHAPSA-N 1 0 480.657 4.193 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001359312108 1069356057 /nfs/dbraw/zinc/35/60/57/1069356057.db2.gz NVCMJOYIHFEGQA-RPWUZVMVSA-N 1 0 480.657 4.193 20 30 JIEDRO C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001359310838 1069354918 /nfs/dbraw/zinc/35/49/18/1069354918.db2.gz IIURFXXGGKYOFG-UHFFFAOYSA-N 1 0 474.653 4.435 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300656344 1069351927 /nfs/dbraw/zinc/35/19/27/1069351927.db2.gz FBJGEABJQOOSKH-OAQYLSRUSA-N 1 0 498.425 4.224 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)C1 ZINC001359312808 1069357397 /nfs/dbraw/zinc/35/73/97/1069357397.db2.gz BKYPXZSQHRZDPD-DHIUTWEWSA-N 1 0 451.615 4.078 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300657618 1069358332 /nfs/dbraw/zinc/35/83/32/1069358332.db2.gz YZAZVBPEFSHNRD-RTWAWAEBSA-N 1 0 469.699 4.338 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001359314844 1069362571 /nfs/dbraw/zinc/36/25/71/1069362571.db2.gz ITFJEHIOCLHOMQ-RTWAWAEBSA-N 1 0 475.584 4.448 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001359322866 1069374683 /nfs/dbraw/zinc/37/46/83/1069374683.db2.gz DIYCIGFYXPBQGV-PKTZIBPZSA-N 1 0 466.655 4.026 20 30 JIEDRO C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359338300 1069398027 /nfs/dbraw/zinc/39/80/27/1069398027.db2.gz QWUXWORDNFQHMS-UHFFFAOYSA-N 1 0 451.644 4.221 20 30 JIEDRO C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001359338392 1069398141 /nfs/dbraw/zinc/39/81/41/1069398141.db2.gz UQOZGRQECQCRFM-UHFFFAOYSA-N 1 0 493.519 4.420 20 30 JIEDRO C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300673177 1069413429 /nfs/dbraw/zinc/41/34/29/1069413429.db2.gz GQXHEZVPXOJNDK-OFNKIYASSA-N 1 0 469.680 4.161 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300677497 1069431200 /nfs/dbraw/zinc/43/12/00/1069431200.db2.gz XWLHPRPPKPVEOG-CPJSRVTESA-N 1 0 486.661 4.389 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001300677883 1069434041 /nfs/dbraw/zinc/43/40/41/1069434041.db2.gz VTGUABAEPBVKKA-UHFFFAOYSA-N 1 0 466.611 4.012 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001300680929 1069446457 /nfs/dbraw/zinc/44/64/57/1069446457.db2.gz ZUNDDARNWVQOAJ-NLFFAJNJSA-N 1 0 468.671 4.441 20 30 JIEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359411771 1069529197 /nfs/dbraw/zinc/52/91/97/1069529197.db2.gz XAELGFMYKVFTES-PMWKKSSLSA-N 1 0 491.684 4.355 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001359467498 1069604723 /nfs/dbraw/zinc/60/47/23/1069604723.db2.gz SXMHVSWKDLLZEU-FOIQADDNSA-N 1 0 488.409 4.084 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359468500 1069609915 /nfs/dbraw/zinc/60/99/15/1069609915.db2.gz MHHXQRFLHYDLOC-RTWAWAEBSA-N 1 0 452.647 4.339 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359469336 1069614813 /nfs/dbraw/zinc/61/48/13/1069614813.db2.gz CHHMMQBJERTTPL-KSSFIOAISA-N 1 0 475.366 4.338 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359476839 1069634522 /nfs/dbraw/zinc/63/45/22/1069634522.db2.gz LYSZTSQHRRPBCJ-XZOQPEGZSA-N 1 0 499.654 4.454 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359478184 1069640899 /nfs/dbraw/zinc/64/08/99/1069640899.db2.gz OBRXMCBPTLSOLG-LMCOJAPRSA-N 1 0 487.674 4.009 20 30 JIEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001359659570 1070267084 /nfs/dbraw/zinc/26/70/84/1070267084.db2.gz YOVYDTOSWQFVCI-DENIHFKCSA-N 1 0 489.590 4.010 20 30 JIEDRO COc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315647704 1064822418 /nfs/dbraw/zinc/82/24/18/1064822418.db2.gz OHMNCRQSXAQHEK-UXHICEINSA-N 1 0 454.619 4.115 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315655910 1064845453 /nfs/dbraw/zinc/84/54/53/1064845453.db2.gz ZTZPZJIHZJHMPZ-UHFFFAOYSA-N 1 0 466.630 4.260 20 30 JIEDRO COC1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001315679850 1064921783 /nfs/dbraw/zinc/92/17/83/1064921783.db2.gz PWWHSIMHKXHRGU-UHFFFAOYSA-N 1 0 480.657 4.245 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC001315721614 1065017890 /nfs/dbraw/zinc/01/78/90/1065017890.db2.gz XDBMWNTUQPGEPS-SXWKCWPCSA-N 1 0 450.631 4.188 20 30 JIEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1(C)C ZINC001315736236 1065038470 /nfs/dbraw/zinc/03/84/70/1065038470.db2.gz NTFGRTOYJXCXAL-RUZDIDTESA-N 1 0 494.684 4.348 20 30 JIEDRO COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCC2)C1 ZINC001315881635 1065321202 /nfs/dbraw/zinc/32/12/02/1065321202.db2.gz OFKBLSVESGPHDC-QHCPKHFHSA-N 1 0 450.631 4.336 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992850 1065568070 /nfs/dbraw/zinc/56/80/70/1065568070.db2.gz JLNQASKAOFNUSI-URXFXBBRSA-N 1 0 450.631 4.190 20 30 JIEDRO COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992852 1065568150 /nfs/dbraw/zinc/56/81/50/1065568150.db2.gz JLNQASKAOFNUSI-XUZZJYLKSA-N 1 0 450.631 4.190 20 30 JIEDRO COCC[N@H+](C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(C#N)C1 ZINC001316062061 1065699896 /nfs/dbraw/zinc/69/98/96/1065699896.db2.gz ACOVNODLOAEBJU-RUZDIDTESA-N 1 0 470.687 4.374 20 30 JIEDRO COCC[N@H+](C)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 ZINC001316066384 1065705138 /nfs/dbraw/zinc/70/51/38/1065705138.db2.gz XNFKYWLLIYGCGE-UHFFFAOYSA-N 1 0 465.429 4.350 20 30 JIEDRO 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N#CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)CC1 ZINC001316534557 1066555353 /nfs/dbraw/zinc/55/53/53/1066555353.db2.gz GOWKEBJPWGNXFW-UHFFFAOYSA-N 1 0 461.383 4.073 20 30 JIEDRO C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001318046657 1066870144 /nfs/dbraw/zinc/87/01/44/1066870144.db2.gz PDYDSHLJRDNQSL-IBGZPJMESA-N 1 0 476.042 4.183 20 30 JIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC001350339404 1066945113 /nfs/dbraw/zinc/94/51/13/1066945113.db2.gz DYPTZYMUQCJQQO-QGZVFWFLSA-N 1 0 456.384 4.390 20 30 JIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 ZINC001318258379 1066987203 /nfs/dbraw/zinc/98/72/03/1066987203.db2.gz QDHZNNASLJNCST-HXUWFJFHSA-N 1 0 484.522 4.053 20 30 JIEDRO C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001318298935 1067007636 /nfs/dbraw/zinc/00/76/36/1067007636.db2.gz YXEKCNAALSWCMA-IBGZPJMESA-N 1 0 476.042 4.183 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001300683071 1067018756 /nfs/dbraw/zinc/01/87/56/1067018756.db2.gz LDGDRSQIPMBXQI-QHCPKHFHSA-N 1 0 496.675 4.071 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001300688481 1067033005 /nfs/dbraw/zinc/03/30/05/1067033005.db2.gz GJNCIAAFYGKAAF-GOSISDBHSA-N 1 0 478.385 4.288 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001300716624 1067094434 /nfs/dbraw/zinc/09/44/34/1067094434.db2.gz OEOWGDSZZAEWPH-XMMPIXPASA-N 1 0 497.087 4.075 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001300716918 1067095660 /nfs/dbraw/zinc/09/56/60/1067095660.db2.gz UPLKLKQRGYSDFV-IZZNHLLZSA-N 1 0 490.696 4.050 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001300716916 1067095740 /nfs/dbraw/zinc/09/57/40/1067095740.db2.gz UPLKLKQRGYSDFV-FTJBHMTQSA-N 1 0 490.696 4.050 20 30 JIEDRO COC1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001300720873 1067108258 /nfs/dbraw/zinc/10/82/58/1067108258.db2.gz DSCMEFBWWXKFFS-UHFFFAOYSA-N 1 0 480.657 4.291 20 30 JIEDRO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300732355 1067170690 /nfs/dbraw/zinc/17/06/90/1067170690.db2.gz AUNCYTOSSZCMTJ-OAQYLSRUSA-N 1 0 455.672 4.322 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300740684 1067221404 /nfs/dbraw/zinc/22/14/04/1067221404.db2.gz AQQSFDHJEZFDLZ-SFHVURJKSA-N 1 0 462.063 4.405 20 30 JIEDRO C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300743245 1067237609 /nfs/dbraw/zinc/23/76/09/1067237609.db2.gz JSBUYEXQXMFIRW-UHFFFAOYSA-N 1 0 480.451 4.180 20 30 JIEDRO C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300743754 1067240466 /nfs/dbraw/zinc/24/04/66/1067240466.db2.gz ZPAKWJYIPJCUMD-SFHVURJKSA-N 1 0 457.713 4.418 20 30 JIEDRO C=CCn1c(SCC(=O)NC[C@H]2CCC[N@@H+](CC)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001322121973 1067254602 /nfs/dbraw/zinc/25/46/02/1067254602.db2.gz UKQBZEMUXATMAO-OAHLLOKOSA-N 1 0 468.454 4.378 20 30 JIEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)CC1 ZINC001322423684 1067290689 /nfs/dbraw/zinc/29/06/89/1067290689.db2.gz OGXSTOSIWVUBTI-UHFFFAOYSA-N 1 0 483.616 4.401 20 30 JIEDRO C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300766408 1067309529 /nfs/dbraw/zinc/30/95/29/1067309529.db2.gz BSAJXMCJHMQPQM-QFIPXVFZSA-N 1 0 451.665 4.008 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001300785376 1067346412 /nfs/dbraw/zinc/34/64/12/1067346412.db2.gz PQJIQCLGSCPDMK-JIPXPUAJSA-N 1 0 498.647 4.366 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001300785375 1067346473 /nfs/dbraw/zinc/34/64/73/1067346473.db2.gz PQJIQCLGSCPDMK-IDISGSTGSA-N 1 0 498.647 4.366 20 30 JIEDRO 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COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300277536 1068062909 /nfs/dbraw/zinc/06/29/09/1068062909.db2.gz KQHRGRLLBDGVLU-HSZRJFAPSA-N 1 0 480.638 4.360 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300285021 1068082497 /nfs/dbraw/zinc/08/24/97/1068082497.db2.gz RQKGLVKUHDDVHW-HFZDXXHNSA-N 1 0 466.630 4.260 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000510247578 1068168259 /nfs/dbraw/zinc/16/82/59/1068168259.db2.gz YQKQJWVZCFRDOF-LJQANCHMSA-N 1 0 450.593 4.098 20 30 JIEDRO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C#N)[NH+]2CCCC2)c1 ZINC001300334932 1068304370 /nfs/dbraw/zinc/30/43/70/1068304370.db2.gz KWSNELPEGIOZMK-NTKDMRAZSA-N 1 0 459.598 4.090 20 30 JIEDRO C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300349136 1068354576 /nfs/dbraw/zinc/35/45/76/1068354576.db2.gz WERMBFJCTPPOLB-UHFFFAOYSA-N 1 0 453.631 4.465 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCC[NH+]1CCCCC1 ZINC001358870173 1068364064 /nfs/dbraw/zinc/36/40/64/1068364064.db2.gz HILFYAQNBUBPDG-QFIPXVFZSA-N 1 0 450.631 4.261 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001358875368 1068370993 /nfs/dbraw/zinc/37/09/93/1068370993.db2.gz OIXNBTYKCGADFT-AVRDEDQJSA-N 1 0 481.442 4.341 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1([NH+](C)C)CCC1 ZINC001358877779 1068376113 /nfs/dbraw/zinc/37/61/13/1068376113.db2.gz KKPOSSMTFXHFLC-CQSZACIVSA-N 1 0 450.812 4.303 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358886140 1068384032 /nfs/dbraw/zinc/38/40/32/1068384032.db2.gz YMVZAUNWWLRCKC-GBXCKJPGSA-N 1 0 476.625 4.195 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358897231 1068391593 /nfs/dbraw/zinc/39/15/93/1068391593.db2.gz VRAIBHLPTMNIOM-VQIMIIECSA-N 1 0 488.455 4.442 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358899304 1068395731 /nfs/dbraw/zinc/39/57/31/1068395731.db2.gz KYUWLCUUSJXKRH-BHDDXSALSA-N 1 0 473.731 4.406 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358899864 1068396927 /nfs/dbraw/zinc/39/69/27/1068396927.db2.gz WVPWNSHWDREOQM-GBESFXJTSA-N 1 0 472.659 4.172 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358899865 1068397282 /nfs/dbraw/zinc/39/72/82/1068397282.db2.gz WVPWNSHWDREOQM-QYZOEREBSA-N 1 0 472.659 4.172 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2([NH+]3CCSCC3)CCCC2)c1 ZINC001358901487 1068400348 /nfs/dbraw/zinc/40/03/48/1068400348.db2.gz MPZATHWXLGSTAR-OAQYLSRUSA-N 1 0 494.709 4.209 20 30 JIEDRO C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001358906992 1068418453 /nfs/dbraw/zinc/41/84/53/1068418453.db2.gz ZTMOTJGBUBPQDH-SZPZYZBQSA-N 1 0 465.642 4.083 20 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C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001359338616 1069398596 /nfs/dbraw/zinc/39/85/96/1069398596.db2.gz BPPIZVHAQJIJHZ-UHFFFAOYSA-N 1 0 492.089 4.075 20 30 JIEDRO C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001359339722 1069401668 /nfs/dbraw/zinc/40/16/68/1069401668.db2.gz PAGNTIFCIKASCJ-FQEVSTJZSA-N 1 0 475.106 4.122 20 30 JIEDRO C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300673178 1069413671 /nfs/dbraw/zinc/41/36/71/1069413671.db2.gz GQXHEZVPXOJNDK-REWPJTCUSA-N 1 0 469.680 4.161 20 30 JIEDRO C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001359345938 1069415356 /nfs/dbraw/zinc/41/53/56/1069415356.db2.gz VRMWSBJPRLKSRC-QFIPXVFZSA-N 1 0 455.672 4.458 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359468553 1069611398 /nfs/dbraw/zinc/61/13/98/1069611398.db2.gz MZMFWUBGKNMNKA-UXHICEINSA-N 1 0 470.687 4.372 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001359470076 1069617680 /nfs/dbraw/zinc/61/76/80/1069617680.db2.gz QFHKYCVGQUIHTD-SJLPKXTDSA-N 1 0 456.019 4.488 20 30 JIEDRO CC(C)[NH+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N)C(C)C ZINC001359478128 1069639691 /nfs/dbraw/zinc/63/96/91/1069639691.db2.gz NCFGVPLJKLCJNY-PMACEKPBSA-N 1 0 461.655 4.065 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001359478761 1069643230 /nfs/dbraw/zinc/64/32/30/1069643230.db2.gz ZULXHAPFDVFWFK-VLCRHTCISA-N 1 0 456.610 4.064 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC001359659101 1070263519 /nfs/dbraw/zinc/26/35/19/1070263519.db2.gz PMDPIWQOEKHQFW-QFIPXVFZSA-N 1 0 457.022 4.085 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001315521942 1064489154 /nfs/dbraw/zinc/48/91/54/1064489154.db2.gz DBCCHBZRSROGJP-PCCBWWKXSA-N 1 0 468.646 4.361 20 30 JIEDRO 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ZINC001200392576 1068368579 /nfs/dbraw/zinc/36/85/79/1068368579.db2.gz BPYVCNOVBGFUFV-GOSISDBHSA-N 1 0 459.660 4.029 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001358876105 1068373010 /nfs/dbraw/zinc/37/30/10/1068373010.db2.gz CDOVXKHGRKWKQQ-YESZJQIVSA-N 1 0 462.411 4.425 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001358878465 1068377219 /nfs/dbraw/zinc/37/72/19/1068377219.db2.gz XBIMSPMZIPMHPA-WMZOPIPTSA-N 1 0 494.503 4.364 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358889297 1068387037 /nfs/dbraw/zinc/38/70/37/1068387037.db2.gz ZXNBPYHIWLWHHH-LADGPHEKSA-N 1 0 494.684 4.373 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358899305 1068395525 /nfs/dbraw/zinc/39/55/25/1068395525.db2.gz KYUWLCUUSJXKRH-YPAWHYETSA-N 1 0 473.731 4.406 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001358899674 1068396377 /nfs/dbraw/zinc/39/63/77/1068396377.db2.gz RUWAWLUCKJZFQT-IPMKNSEASA-N 1 0 462.063 4.181 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001358901785 1068402263 /nfs/dbraw/zinc/40/22/63/1068402263.db2.gz WSGPESPPKSGUCR-RXVVDRJESA-N 1 0 464.639 4.212 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001358903293 1068407342 /nfs/dbraw/zinc/40/73/42/1068407342.db2.gz RARSHBZLSVKUAA-NHCUHLMSSA-N 1 0 476.669 4.043 20 30 JIEDRO C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001358904871 1068411106 /nfs/dbraw/zinc/41/11/06/1068411106.db2.gz NJKXQXNJJCFFSS-DQEYMECFSA-N 1 0 478.685 4.055 20 30 JIEDRO C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001358920519 1068456390 /nfs/dbraw/zinc/45/63/90/1068456390.db2.gz ANKRCQCWQKGQMK-UHFFFAOYSA-N 1 0 474.653 4.313 20 30 JIEDRO C#CCCCn1c(-c2ccc(CC)cc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001358923731 1068466606 /nfs/dbraw/zinc/46/66/06/1068466606.db2.gz YYRGEGBUGZAFTP-UKILVPOCSA-N 1 0 459.642 4.174 20 30 JIEDRO C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001358923945 1068467881 /nfs/dbraw/zinc/46/78/81/1068467881.db2.gz HMACOVDSCVEHTQ-BGYRXZFFSA-N 1 0 473.040 4.146 20 30 JIEDRO C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001358929003 1068474342 /nfs/dbraw/zinc/47/43/42/1068474342.db2.gz PYOACOMLKNWIIC-NRFANRHFSA-N 1 0 472.678 4.117 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001358974858 1068523228 /nfs/dbraw/zinc/52/32/28/1068523228.db2.gz UKVGMSZKAFZHQW-IBGZPJMESA-N 1 0 454.416 4.045 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001358974745 1068523762 /nfs/dbraw/zinc/52/37/62/1068523762.db2.gz PRPCXXOAEKWFAH-OAQYLSRUSA-N 1 0 456.432 4.147 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001358974880 1068524337 /nfs/dbraw/zinc/52/43/37/1068524337.db2.gz VGURSAPNYCIXND-CYFREDJKSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001358985425 1068534636 /nfs/dbraw/zinc/53/46/36/1068534636.db2.gz YPMTZAPYBPAUKF-FCHUYYIVSA-N 1 0 451.590 4.141 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001358985746 1068535380 /nfs/dbraw/zinc/53/53/80/1068535380.db2.gz GPOHZMGXFUNTBH-RTWAWAEBSA-N 1 0 454.018 4.266 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001358988364 1068546784 /nfs/dbraw/zinc/54/67/84/1068546784.db2.gz MFWQNAIASHMJDR-GOSISDBHSA-N 1 0 474.472 4.352 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001358988474 1068546933 /nfs/dbraw/zinc/54/69/33/1068546933.db2.gz QNACMSOCPKWHOE-HXUWFJFHSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358990291 1068552788 /nfs/dbraw/zinc/55/27/88/1068552788.db2.gz IWFZLGPRKWEZGS-UHFFFAOYSA-N 1 0 461.679 4.468 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358995260 1068558143 /nfs/dbraw/zinc/55/81/43/1068558143.db2.gz KHYHAKBKOYCFIY-QFIPXVFZSA-N 1 0 465.592 4.407 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001359001909 1068572022 /nfs/dbraw/zinc/57/20/22/1068572022.db2.gz HLXBNSUJIOSTDI-UHFFFAOYSA-N 1 0 469.431 4.385 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](CC)[NH+]1CCCC1 ZINC001359002749 1068575230 /nfs/dbraw/zinc/57/52/30/1068575230.db2.gz LIRGCZIVCBUBNC-KRWDZBQOSA-N 1 0 460.420 4.050 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359016270 1068597882 /nfs/dbraw/zinc/59/78/82/1068597882.db2.gz WAIQEAFYFDMAOD-UFHPHHKVSA-N 1 0 497.659 4.218 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001359016241 1068598016 /nfs/dbraw/zinc/59/80/16/1068598016.db2.gz VHOOEVWEEIIHGX-HSZRJFAPSA-N 1 0 460.601 4.487 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359017868 1068606650 /nfs/dbraw/zinc/60/66/50/1068606650.db2.gz USWZAQQFASUEAK-FGZHOGPDSA-N 1 0 460.601 4.163 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001359019928 1068613409 /nfs/dbraw/zinc/61/34/09/1068613409.db2.gz MKHXXEYKKNAZLN-FQEVSTJZSA-N 1 0 499.725 4.107 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001359021105 1068620657 /nfs/dbraw/zinc/62/06/57/1068620657.db2.gz BOBLFUDYAIAHHB-QHCPKHFHSA-N 1 0 479.028 4.225 20 30 JIEDRO C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001300419690 1068626439 /nfs/dbraw/zinc/62/64/39/1068626439.db2.gz QPERTQAXCJZFQF-IRLDBZIGSA-N 1 0 456.034 4.338 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001359030379 1068637977 /nfs/dbraw/zinc/63/79/77/1068637977.db2.gz VAKOYINSGWAHJQ-ZLNRFVROSA-N 1 0 499.103 4.195 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001359042784 1068659975 /nfs/dbraw/zinc/65/99/75/1068659975.db2.gz UGCKTXBYXYWAAU-UHFFFAOYSA-N 1 0 490.696 4.083 20 30 JIEDRO C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001359057579 1068693237 /nfs/dbraw/zinc/69/32/37/1068693237.db2.gz DDIKDEKTBXWLNS-NRFANRHFSA-N 1 0 487.664 4.462 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001359063566 1068704982 /nfs/dbraw/zinc/70/49/82/1068704982.db2.gz XLCWIBXJBRUGCG-VNZAXJPBSA-N 1 0 490.696 4.489 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[NH+]1CCSCC1 ZINC001359063853 1068705760 /nfs/dbraw/zinc/70/57/60/1068705760.db2.gz GCMBEXSKSJHYOW-FDDCHVKYSA-N 1 0 460.047 4.112 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359065790 1068710450 /nfs/dbraw/zinc/71/04/50/1068710450.db2.gz BXDPFVFYIZYLOO-KBMIEXCESA-N 1 0 473.568 4.040 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359074962 1068732538 /nfs/dbraw/zinc/73/25/38/1068732538.db2.gz YKQPWMTVWMISBT-QFQXNSOFSA-N 1 0 483.682 4.072 20 30 JIEDRO C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001359077909 1068737636 /nfs/dbraw/zinc/73/76/36/1068737636.db2.gz OBEBIRKWZZJFJZ-IXDOHACOSA-N 1 0 464.383 4.139 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001359083504 1068758865 /nfs/dbraw/zinc/75/88/65/1068758865.db2.gz LIWCRWLFJWFAJC-HSALFYBXSA-N 1 0 466.468 4.172 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359092979 1068792937 /nfs/dbraw/zinc/79/29/37/1068792937.db2.gz ISXSFLDNJYJQEC-CTNGQTDRSA-N 1 0 475.584 4.448 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001359104914 1068812445 /nfs/dbraw/zinc/81/24/45/1068812445.db2.gz HIGZYQJMKGCAGF-YKSBVNFPSA-N 1 0 471.671 4.091 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001359107840 1068817392 /nfs/dbraw/zinc/81/73/92/1068817392.db2.gz WSEFMXGFWARPRQ-NTKDMRAZSA-N 1 0 462.038 4.157 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300475048 1068822533 /nfs/dbraw/zinc/82/25/33/1068822533.db2.gz CJVALCZXJDLFSS-DLBZAZTESA-N 1 0 450.414 4.354 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300475288 1068822972 /nfs/dbraw/zinc/82/29/72/1068822972.db2.gz GFUMDTLQOABOHS-SFHVURJKSA-N 1 0 450.414 4.498 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[NH+]1CCC(C)CC1 ZINC001300475395 1068823370 /nfs/dbraw/zinc/82/33/70/1068823370.db2.gz IIXUGXXNWRIJON-UHFFFAOYSA-N 1 0 450.414 4.355 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001300475411 1068823576 /nfs/dbraw/zinc/82/35/76/1068823576.db2.gz IUDGVQZHCSPLEO-UHFFFAOYSA-N 1 0 453.587 4.039 20 30 JIEDRO C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001359114809 1068824293 /nfs/dbraw/zinc/82/42/93/1068824293.db2.gz ADEHHZFXIQDTIK-JOCHJYFZSA-N 1 0 450.631 4.109 20 30 JIEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001359118933 1068829731 /nfs/dbraw/zinc/82/97/31/1068829731.db2.gz LRBAGPZGMGSWFA-UHFFFAOYSA-N 1 0 493.519 4.340 20 30 JIEDRO COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300480583 1068833638 /nfs/dbraw/zinc/83/36/38/1068833638.db2.gz DODNMFBRHBEVLK-LJQANCHMSA-N 1 0 450.612 4.448 20 30 JIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001359124357 1068834922 /nfs/dbraw/zinc/83/49/22/1068834922.db2.gz YNZUYFUUPDVLKH-QHCPKHFHSA-N 1 0 466.674 4.081 20 30 JIEDRO C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001359128292 1068839161 /nfs/dbraw/zinc/83/91/61/1068839161.db2.gz PIMFKZPHERYIER-UHFFFAOYSA-N 1 0 492.462 4.087 20 30 JIEDRO C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001359136487 1068846254 /nfs/dbraw/zinc/84/62/54/1068846254.db2.gz KARRJMURMQPSEM-UHFFFAOYSA-N 1 0 453.631 4.213 20 30 JIEDRO C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001359146440 1068858880 /nfs/dbraw/zinc/85/88/80/1068858880.db2.gz YSRNAKJFJJOSMO-RTBURBONSA-N 1 0 493.483 4.354 20 30 JIEDRO C=C(Cl)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001359154246 1068864408 /nfs/dbraw/zinc/86/44/08/1068864408.db2.gz IZINBZINEVKJQX-UHFFFAOYSA-N 1 0 482.982 4.174 20 30 JIEDRO C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001359160503 1068871137 /nfs/dbraw/zinc/87/11/37/1068871137.db2.gz WQRWQYUPAJMWCU-OZXSUGGESA-N 1 0 453.631 4.170 20 30 JIEDRO C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001359164294 1068874669 /nfs/dbraw/zinc/87/46/69/1068874669.db2.gz KNWUPPHCRVZVMQ-HXUWFJFHSA-N 1 0 460.667 4.137 20 30 JIEDRO C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001359164450 1068874686 /nfs/dbraw/zinc/87/46/86/1068874686.db2.gz PHHUMQVLFGHOKP-OAQYLSRUSA-N 1 0 477.657 4.198 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001300509509 1068884749 /nfs/dbraw/zinc/88/47/49/1068884749.db2.gz NPBFYCHWVNGTJQ-VQTJNVASSA-N 1 0 454.018 4.244 20 30 JIEDRO C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001359173450 1068885424 /nfs/dbraw/zinc/88/54/24/1068885424.db2.gz GRSVDQLDXFUOPI-KNQAVFIVSA-N 1 0 474.049 4.321 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001300511444 1068889057 /nfs/dbraw/zinc/88/90/57/1068889057.db2.gz IUCAVVUUIQLWDV-UGKGYDQZSA-N 1 0 454.018 4.265 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300520628 1068911240 /nfs/dbraw/zinc/91/12/40/1068911240.db2.gz HVSNVXVLYNAJMB-HXUWFJFHSA-N 1 0 468.443 4.353 20 30 JIEDRO C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001359189465 1068925401 /nfs/dbraw/zinc/92/54/01/1068925401.db2.gz LSGBFMDHNSDQNZ-QHCPKHFHSA-N 1 0 471.093 4.341 20 30 JIEDRO C=CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C)CC1 ZINC001359191315 1068935252 /nfs/dbraw/zinc/93/52/52/1068935252.db2.gz VKSKYKDDRVBTLO-UHFFFAOYSA-N 1 0 450.675 4.481 20 30 JIEDRO C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001359192059 1068941299 /nfs/dbraw/zinc/94/12/99/1068941299.db2.gz UZUOMCCSJNHAMB-HSZRJFAPSA-N 1 0 467.658 4.235 20 30 JIEDRO C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359198190 1068972053 /nfs/dbraw/zinc/97/20/53/1068972053.db2.gz KQEKBVDHHYQILX-HXUWFJFHSA-N 1 0 457.594 4.215 20 30 JIEDRO C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359207300 1068986611 /nfs/dbraw/zinc/98/66/11/1068986611.db2.gz GOTROJNGXMRKSA-UHFFFAOYSA-N 1 0 493.700 4.108 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001300547376 1068988188 /nfs/dbraw/zinc/98/81/88/1068988188.db2.gz LFKZGMARCCKCOO-TWJOJJKGSA-N 1 0 473.665 4.106 20 30 JIEDRO C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001359209935 1068991194 /nfs/dbraw/zinc/99/11/94/1068991194.db2.gz DQKQJIIKYGLCCO-SJORKVTESA-N 1 0 460.420 4.355 20 30 JIEDRO C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001300548985 1068994094 /nfs/dbraw/zinc/99/40/94/1068994094.db2.gz VKWYVTUNWONZDO-VWLOTQADSA-N 1 0 459.638 4.344 20 30 JIEDRO C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359210475 1068994043 /nfs/dbraw/zinc/99/40/43/1068994043.db2.gz UQSISYUWSRBBDL-UHFFFAOYSA-N 1 0 480.476 4.284 20 30 JIEDRO C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001359224219 1069016511 /nfs/dbraw/zinc/01/65/11/1069016511.db2.gz KGPNOTKUXLALLT-IBGZPJMESA-N 1 0 494.467 4.393 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CC[NH+](CCC)CC1 ZINC001300557426 1069017237 /nfs/dbraw/zinc/01/72/37/1069017237.db2.gz SYVBOAPMDWJCQK-NRFANRHFSA-N 1 0 451.590 4.142 20 30 JIEDRO C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001359226188 1069021187 /nfs/dbraw/zinc/02/11/87/1069021187.db2.gz YRLBPUWBHKYMQJ-UXHICEINSA-N 1 0 450.587 4.112 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001300560529 1069027960 /nfs/dbraw/zinc/02/79/60/1069027960.db2.gz BVJYFLQRBVYGAR-HSZRJFAPSA-N 1 0 455.610 4.063 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001300560530 1069027990 /nfs/dbraw/zinc/02/79/90/1069027990.db2.gz BVJYFLQRBVYGAR-QHCPKHFHSA-N 1 0 455.610 4.063 20 30 JIEDRO C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001359244403 1069050233 /nfs/dbraw/zinc/05/02/33/1069050233.db2.gz BSJLXMGYPFTDHG-SFHVURJKSA-N 1 0 450.052 4.347 20 30 JIEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)c1 ZINC000849492160 1069059409 /nfs/dbraw/zinc/05/94/09/1069059409.db2.gz CFLSXMJKBZEBAV-SXOMAYOGSA-N 1 0 484.600 4.059 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC[N@H+](C)C1CCCCC1 ZINC001300571307 1069079506 /nfs/dbraw/zinc/07/95/06/1069079506.db2.gz AYEBGJLRRCOWKD-UHFFFAOYSA-N 1 0 468.443 4.435 20 30 JIEDRO C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC001359247939 1069093898 /nfs/dbraw/zinc/09/38/98/1069093898.db2.gz UVXLKTHLHVLZTF-QGZVFWFLSA-N 1 0 461.452 4.465 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001300574644 1069094563 /nfs/dbraw/zinc/09/45/63/1069094563.db2.gz DZVKWALTYQHPHZ-UHFFFAOYSA-N 1 0 452.606 4.024 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300590943 1069154307 /nfs/dbraw/zinc/15/43/07/1069154307.db2.gz JSLUZCHGWYJGGS-VWLOTQADSA-N 1 0 461.654 4.305 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300591531 1069156830 /nfs/dbraw/zinc/15/68/30/1069156830.db2.gz SDOKZFMUNCLDOP-LXFBAYGMSA-N 1 0 456.638 4.255 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001300592046 1069158398 /nfs/dbraw/zinc/15/83/98/1069158398.db2.gz ZVXIGWPCVCOROJ-UHFFFAOYSA-N 1 0 475.706 4.278 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001300604620 1069194632 /nfs/dbraw/zinc/19/46/32/1069194632.db2.gz NFMCCYWWCIZWLD-UHFFFAOYSA-N 1 0 491.503 4.247 20 30 JIEDRO C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300618415 1069235297 /nfs/dbraw/zinc/23/52/97/1069235297.db2.gz DTDDAMHLWXMTFE-DEOSSOPVSA-N 1 0 489.668 4.206 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359256328 1069248566 /nfs/dbraw/zinc/24/85/66/1069248566.db2.gz CDPYRYPNRRNRLY-YADHBBJMSA-N 1 0 462.623 4.211 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300625322 1069256496 /nfs/dbraw/zinc/25/64/96/1069256496.db2.gz DWJJSQDXMWQALM-ZRBLBEILSA-N 1 0 486.705 4.220 20 30 JIEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300626096 1069259018 /nfs/dbraw/zinc/25/90/18/1069259018.db2.gz OGRWUNQMNZIFKK-VXKWHMMOSA-N 1 0 472.678 4.117 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001359261636 1069285269 /nfs/dbraw/zinc/28/52/69/1069285269.db2.gz PQHKMFQHKNLDAX-LJQANCHMSA-N 1 0 454.619 4.307 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001359264953 1069298416 /nfs/dbraw/zinc/29/84/16/1069298416.db2.gz UQYYSJRGSKEKQG-PGRDOPGGSA-N 1 0 489.039 4.103 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1)C(C)C ZINC001359265279 1069299778 /nfs/dbraw/zinc/29/97/78/1069299778.db2.gz CIOSJAAEMFTEQV-KMDXXIMOSA-N 1 0 471.690 4.002 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](O)CC2(CCCC2)C1)C(C)C ZINC001359265476 1069300119 /nfs/dbraw/zinc/30/01/19/1069300119.db2.gz GQGJBCUJMMUXLY-ISKFKSNPSA-N 1 0 466.674 4.114 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359267989 1069304364 /nfs/dbraw/zinc/30/43/64/1069304364.db2.gz ZFLKDMJUBVLESS-JOCHJYFZSA-N 1 0 492.487 4.332 20 30 JIEDRO C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359268303 1069305477 /nfs/dbraw/zinc/30/54/77/1069305477.db2.gz LHVJDUKRRSEVJO-UHFFFAOYSA-N 1 0 460.022 4.021 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)c2ccccc21 ZINC001164681491 719676557 /nfs/dbraw/zinc/67/65/57/719676557.db2.gz LXPSQQPGHXKMOH-XMMPIXPASA-N 1 0 494.643 4.109 20 30 JIEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164714927 720120762 /nfs/dbraw/zinc/12/07/62/720120762.db2.gz FNOSHDHCQCOHJE-IBGZPJMESA-N 1 0 461.944 4.054 20 30 JIEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2 ZINC001164813376 720203799 /nfs/dbraw/zinc/20/37/99/720203799.db2.gz OZTOXLMLGVAUBY-HYBUGGRVSA-N 1 0 487.982 4.398 20 30 JIEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838612 720549438 /nfs/dbraw/zinc/54/94/38/720549438.db2.gz OTFMDUFEDNPZPV-SELNLUPBSA-N 1 0 479.991 4.382 20 30 JIEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745304 720861821 /nfs/dbraw/zinc/86/18/21/720861821.db2.gz CXCJAOCYEXTGFE-WJONJSRFSA-N 1 0 483.954 4.009 20 30 JIEDRO N#Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164757901 720891188 /nfs/dbraw/zinc/89/11/88/720891188.db2.gz WGOPWJUNYKBKEX-UPVQGACJSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752839 720908381 /nfs/dbraw/zinc/90/83/81/720908381.db2.gz PCPFFOXHNFGVMB-UHSQPCAPSA-N 1 0 480.616 4.165 20 30 JIEDRO N#Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164749016 720933487 /nfs/dbraw/zinc/93/34/87/720933487.db2.gz HIZFSVYCMMCVJT-LXFBAYGMSA-N 1 0 498.587 4.165 20 30 JIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)[C@@H]2C ZINC001164862970 720966685 /nfs/dbraw/zinc/96/66/85/720966685.db2.gz XDPGCGPPVLSGTK-OAHLLOKOSA-N 1 0 453.953 4.426 20 30 JIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164871441 721193389 /nfs/dbraw/zinc/19/33/89/721193389.db2.gz ZRDJWXDHEXBJPU-NHCUHLMSSA-N 1 0 496.949 4.088 20 30 JIEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807399 721557702 /nfs/dbraw/zinc/55/77/02/721557702.db2.gz SXBLFTVMMIYANS-GMKZXUHWSA-N 1 0 478.959 4.071 20 30 JIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904938 721587419 /nfs/dbraw/zinc/58/74/19/721587419.db2.gz IADWJBXQDXMHCH-QFIPXVFZSA-N 1 0 454.912 4.288 20 30 JIEDRO COc1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(C#N)c(Cl)n1 ZINC001164938653 721927768 /nfs/dbraw/zinc/92/77/68/721927768.db2.gz CVEIUQDMVIBANH-UHFFFAOYSA-N 1 0 476.955 4.340 20 30 JIEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955912 722019519 /nfs/dbraw/zinc/01/95/19/722019519.db2.gz SGGWYHVHUVYALR-UHFFFAOYSA-N 1 0 489.954 4.216 20 30 JIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958061 722052926 /nfs/dbraw/zinc/05/29/26/722052926.db2.gz BFVXQWXAGRMZML-UHFFFAOYSA-N 1 0 457.553 4.273 20 30 JIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164975306 722159605 /nfs/dbraw/zinc/15/96/05/722159605.db2.gz SAGFKXAPFBFJPM-PGRDOPGGSA-N 1 0 465.960 4.330 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001300642978 1069312106 /nfs/dbraw/zinc/31/21/06/1069312106.db2.gz NUJRNVDBLBLZQU-NDEPHWFRSA-N 1 0 497.659 4.220 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359278599 1069317966 /nfs/dbraw/zinc/31/79/66/1069317966.db2.gz AAOBNUSZHLFIOP-KRWDZBQOSA-N 1 0 480.476 4.425 20 30 JIEDRO C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCC1 ZINC001359279227 1069319411 /nfs/dbraw/zinc/31/94/11/1069319411.db2.gz XZEHHIXHCHATGB-UHFFFAOYSA-N 1 0 468.827 4.096 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001300655410 1069348962 /nfs/dbraw/zinc/34/89/62/1069348962.db2.gz WSMPBWMBZVJLQY-VWLOTQADSA-N 1 0 499.681 4.336 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001359314845 1069362524 /nfs/dbraw/zinc/36/25/24/1069362524.db2.gz ITFJEHIOCLHOMQ-SFTDATJTSA-N 1 0 475.584 4.448 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359324707 1069379155 /nfs/dbraw/zinc/37/91/55/1069379155.db2.gz QUWIQXDDDCNUNB-DNQXCXABSA-N 1 0 467.658 4.376 20 30 JIEDRO C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001359336044 1069392764 /nfs/dbraw/zinc/39/27/64/1069392764.db2.gz CFKATGAWPFPYLR-LJQANCHMSA-N 1 0 482.698 4.377 20 30 JIEDRO C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001359344898 1069412673 /nfs/dbraw/zinc/41/26/73/1069412673.db2.gz MGTRQOIGPHIDJK-UHFFFAOYSA-N 1 0 468.696 4.265 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001300680928 1069446311 /nfs/dbraw/zinc/44/63/11/1069446311.db2.gz ZUNDDARNWVQOAJ-NBGIEHNGSA-N 1 0 468.671 4.441 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[NH+]1CCSCC1 ZINC001359466679 1069602692 /nfs/dbraw/zinc/60/26/92/1069602692.db2.gz FSXXQDWQSCGAGN-OAHLLOKOSA-N 1 0 461.060 4.458 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001359469878 1069616274 /nfs/dbraw/zinc/61/62/74/1069616274.db2.gz MKDOGGISRGTJBK-MSOLQXFVSA-N 1 0 459.436 4.425 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359469335 1069614689 /nfs/dbraw/zinc/61/46/89/1069614689.db2.gz CHHMMQBJERTTPL-KDOFPFPSSA-N 1 0 475.366 4.338 20 30 JIEDRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCC(C)CC1 ZINC001359473243 1069623062 /nfs/dbraw/zinc/62/30/62/1069623062.db2.gz ZDAOGZANWASTOD-YPAWHYETSA-N 1 0 487.693 4.109 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359474983 1069627979 /nfs/dbraw/zinc/62/79/79/1069627979.db2.gz ZWGHPIUIUINUIZ-CVDCTZTESA-N 1 0 452.603 4.041 20 30 JIEDRO C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001359477115 1069636450 /nfs/dbraw/zinc/63/64/50/1069636450.db2.gz RFHAFGJDNPJYKH-QFIPXVFZSA-N 1 0 466.699 4.411 20 30 JIEDRO CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001359534133 1069826869 /nfs/dbraw/zinc/82/68/69/1069826869.db2.gz PEUBYLQUSXDCAU-HHHXNRCGSA-N 1 0 464.658 4.002 20 30 JIEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001359546665 1069850739 /nfs/dbraw/zinc/85/07/39/1069850739.db2.gz MINODSRTODPXGW-HHHXNRCGSA-N 1 0 464.658 4.316 20 30 JIEDRO CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)OC1CCCC1)[NH+]1CCCC1 ZINC001359665510 1070296322 /nfs/dbraw/zinc/29/63/22/1070296322.db2.gz AYNFVMMKEBCVJC-HSZRJFAPSA-N 1 0 452.603 4.160 20 30 JIEDRO CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)C)CC1)c1cccnc1 ZINC001359666330 1070301838 /nfs/dbraw/zinc/30/18/38/1070301838.db2.gz ROZWVPZINUSHHN-RUZDIDTESA-N 1 0 473.625 4.094 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315622153 1064758117 /nfs/dbraw/zinc/75/81/17/1064758117.db2.gz MHNIHAZGNAWJBX-BVFVYWQFSA-N 1 0 468.621 4.076 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001315660347 1064857305 /nfs/dbraw/zinc/85/73/05/1064857305.db2.gz FOBYNJSCBQFTPI-IBGZPJMESA-N 1 0 456.660 4.297 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001315704017 1064970281 /nfs/dbraw/zinc/97/02/81/1064970281.db2.gz DTHSAOCLZBKURH-LJQANCHMSA-N 1 0 462.598 4.497 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001315706637 1064978173 /nfs/dbraw/zinc/97/81/73/1064978173.db2.gz UENQXRXPUAIYSB-HSZRJFAPSA-N 1 0 482.698 4.284 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001315706668 1064978897 /nfs/dbraw/zinc/97/88/97/1064978897.db2.gz UPBVYJUXVBJHLY-IBGZPJMESA-N 1 0 484.620 4.187 20 30 JIEDRO COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001315834521 1065207359 /nfs/dbraw/zinc/20/73/59/1065207359.db2.gz YQNNMWLELYSOEF-JOCHJYFZSA-N 1 0 494.684 4.492 20 30 JIEDRO COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001315993961 1065570493 /nfs/dbraw/zinc/57/04/93/1065570493.db2.gz OXRDKMJQHFKTLO-PKTZIBPZSA-N 1 0 450.631 4.048 20 30 JIEDRO COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCC1)[C@@H]1CC[C@@H](C)C1 ZINC001316075331 1065713177 /nfs/dbraw/zinc/71/31/77/1065713177.db2.gz BTYDNWKUCVXDLQ-HYBUGGRVSA-N 1 0 450.631 4.333 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCC(C)(C)C ZINC001316289384 1066048235 /nfs/dbraw/zinc/04/82/35/1066048235.db2.gz OGTNJVUUBWABRU-DQEYMECFSA-N 1 0 494.684 4.412 20 30 JIEDRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC001326427670 1066296669 /nfs/dbraw/zinc/29/66/69/1066296669.db2.gz ALGQABIFRXFVLT-UHFFFAOYSA-N 1 0 473.552 4.350 20 30 JIEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCSC(F)(F)F)cc1 ZINC001316530166 1066549147 /nfs/dbraw/zinc/54/91/47/1066549147.db2.gz HBNJNAQYYJEZKQ-UHFFFAOYSA-N 1 0 450.534 4.134 20 30 JIEDRO COC(=O)c1coc(C(=O)C(C(=S)NCC2CCC2)[n+]2ccc(Cc3ccccc3)cc2)c1 ZINC001318288299 1067004099 /nfs/dbraw/zinc/00/40/99/1067004099.db2.gz UBIZVGSYVVEIGY-UHFFFAOYSA-O 1 0 463.579 4.273 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300681748 1067015801 /nfs/dbraw/zinc/01/58/01/1067015801.db2.gz AEOODGUMKVMRBD-ZRBLBEILSA-N 1 0 496.675 4.069 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300682385 1067017388 /nfs/dbraw/zinc/01/73/88/1067017388.db2.gz GYPIOIMNIKUECW-AHWVRZQESA-N 1 0 462.686 4.087 20 30 JIEDRO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001300745851 1067255219 /nfs/dbraw/zinc/25/52/19/1067255219.db2.gz NJJMHFDPZCUPGH-UHFFFAOYSA-N 1 0 485.032 4.211 20 30 JIEDRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCNc2ncccc2C#N)c1 ZINC001322610305 1067305566 /nfs/dbraw/zinc/30/55/66/1067305566.db2.gz DASVIJLFHAPKDC-UHFFFAOYSA-N 1 0 454.534 4.025 20 30 JIEDRO C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001300765693 1067307860 /nfs/dbraw/zinc/30/78/60/1067307860.db2.gz INWDMGBLJVDGRU-HSZRJFAPSA-N 1 0 469.674 4.323 20 30 JIEDRO C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001300767108 1067311075 /nfs/dbraw/zinc/31/10/75/1067311075.db2.gz RCJJKMXHLJCSRU-TZIWHRDSSA-N 1 0 472.728 4.091 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001300785681 1067347414 /nfs/dbraw/zinc/34/74/14/1067347414.db2.gz BBHXTDAUCOKPPB-LSCGWGKXSA-N 1 0 465.642 4.140 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 ZINC001300787972 1067352956 /nfs/dbraw/zinc/35/29/56/1067352956.db2.gz XSDAEWZTQQYBSR-UHFFFAOYSA-N 1 0 484.620 4.016 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCC[NH+]1CCCC1 ZINC001300788907 1067356047 /nfs/dbraw/zinc/35/60/47/1067356047.db2.gz QKTWDFAZCWYLLA-JOCHJYFZSA-N 1 0 460.395 4.325 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300790065 1067359682 /nfs/dbraw/zinc/35/96/82/1067359682.db2.gz GLYYLMBBIXFXGX-BVFVYWQFSA-N 1 0 451.615 4.075 20 30 JIEDRO COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001300017618 1067379813 /nfs/dbraw/zinc/37/98/13/1067379813.db2.gz YPMKKYNNITUQGC-UHFFFAOYSA-N 1 0 485.430 4.108 20 30 JIEDRO COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001300114610 1067722183 /nfs/dbraw/zinc/72/21/83/1067722183.db2.gz UUYQGGOTIZJWSK-VWLOTQADSA-N 1 0 464.658 4.322 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001357130814 1067808246 /nfs/dbraw/zinc/80/82/46/1067808246.db2.gz ZNWRBSKNDFBWBO-UHFFFAOYSA-N 1 0 453.340 4.180 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001300277309 1068062336 /nfs/dbraw/zinc/06/23/36/1068062336.db2.gz ZJLYNHUXFJFMPW-VGOFRKELSA-N 1 0 481.442 4.404 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001300285321 1068083670 /nfs/dbraw/zinc/08/36/70/1068083670.db2.gz UCDNKBAYBIFXAA-WXVAWEFUSA-N 1 0 480.657 4.364 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001300286719 1068086387 /nfs/dbraw/zinc/08/63/87/1068086387.db2.gz NFRSPLUVOXZANL-QGZVFWFLSA-N 1 0 474.447 4.439 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001300287060 1068087368 /nfs/dbraw/zinc/08/73/68/1068087368.db2.gz STYKRCOKTHGXPD-FXAWDEMLSA-N 1 0 453.974 4.495 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300330236 1068268791 /nfs/dbraw/zinc/26/87/91/1068268791.db2.gz WOYGPLIHPXCWBZ-HOJAQTOUSA-N 1 0 472.659 4.172 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300334739 1068302457 /nfs/dbraw/zinc/30/24/57/1068302457.db2.gz RTMYHTIWFZWEEB-NRFANRHFSA-N 1 0 464.658 4.043 20 30 JIEDRO C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001300345163 1068340307 /nfs/dbraw/zinc/34/03/07/1068340307.db2.gz QGUCSRRACYLVDF-IBGZPJMESA-N 1 0 492.437 4.197 20 30 JIEDRO C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001300345475 1068342106 /nfs/dbraw/zinc/34/21/06/1068342106.db2.gz XYRQCZGNWDUHRK-UHFFFAOYSA-N 1 0 465.642 4.468 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001300348243 1068351749 /nfs/dbraw/zinc/35/17/49/1068351749.db2.gz LJXQOYYQNZYRBU-UHFFFAOYSA-N 1 0 466.033 4.199 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001358874668 1068368506 /nfs/dbraw/zinc/36/85/06/1068368506.db2.gz AHGVRNMQWZBFCK-RTWAWAEBSA-N 1 0 491.709 4.109 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001358875401 1068371120 /nfs/dbraw/zinc/37/11/20/1068371120.db2.gz OUUFGPVFBWFQBU-MDNUFGMLSA-N 1 0 474.653 4.310 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001358875631 1068371759 /nfs/dbraw/zinc/37/17/59/1068371759.db2.gz TWNBTSQDAHIUJA-SFHVURJKSA-N 1 0 483.458 4.394 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001358890348 1068387367 /nfs/dbraw/zinc/38/73/67/1068387367.db2.gz OEYIAOIWKUJLQS-RDPSFJRHSA-N 1 0 451.615 4.007 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001358897038 1068391283 /nfs/dbraw/zinc/39/12/83/1068391283.db2.gz RUYXEHCGKARZGU-JOCHJYFZSA-N 1 0 467.683 4.293 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358897228 1068391635 /nfs/dbraw/zinc/39/16/35/1068391635.db2.gz VRAIBHLPTMNIOM-APWZRJJASA-N 1 0 488.455 4.442 20 30 JIEDRO 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 ZINC001358898825 1068394344 /nfs/dbraw/zinc/39/43/44/1068394344.db2.gz BALXVOZJQUOJLG-HBMCJLEFSA-N 1 0 472.678 4.319 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001358902209 1068403427 /nfs/dbraw/zinc/40/34/27/1068403427.db2.gz HIDVTNQSVYAFJS-JOCHJYFZSA-N 1 0 476.650 4.356 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001358902813 1068405587 /nfs/dbraw/zinc/40/55/87/1068405587.db2.gz ZXECOZAUEYVRGI-OAQYLSRUSA-N 1 0 478.685 4.433 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001358903148 1068406358 /nfs/dbraw/zinc/40/63/58/1068406358.db2.gz MKFPKXCVCXTAPS-QFIPXVFZSA-N 1 0 476.669 4.332 20 30 JIEDRO C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001358913984 1068437944 /nfs/dbraw/zinc/43/79/44/1068437944.db2.gz FJRYARDPYNQELK-ZRZAMGCNSA-N 1 0 483.104 4.321 20 30 JIEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C1CCC(C)CC1 ZINC001358916015 1068442102 /nfs/dbraw/zinc/44/21/02/1068442102.db2.gz WXMIDTGSCFLQRM-UHFFFAOYSA-N 1 0 462.686 4.461 20 30 JIEDRO C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001300377717 1068456393 /nfs/dbraw/zinc/45/63/93/1068456393.db2.gz YHWXJMRTEQUIBY-KVZCNWPJSA-N 1 0 495.716 4.253 20 30 JIEDRO C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001358935163 1068484007 /nfs/dbraw/zinc/48/40/07/1068484007.db2.gz ZJVYYVHZZJQYHA-HSZRJFAPSA-N 1 0 465.642 4.372 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001358942065 1068494449 /nfs/dbraw/zinc/49/44/49/1068494449.db2.gz IBQHHICKUMSVAO-MRXNPFEDSA-N 1 0 450.450 4.493 20 30 JIEDRO C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001358942137 1068494589 /nfs/dbraw/zinc/49/45/89/1068494589.db2.gz KKQXULKWBMWQIB-OAHLLOKOSA-N 1 0 450.812 4.162 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CC[NH+](CC)CC1 ZINC001358968854 1068508325 /nfs/dbraw/zinc/50/83/25/1068508325.db2.gz AQHARQKTBDBXDN-HXUWFJFHSA-N 1 0 454.018 4.266 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1([NH+](C)C)CCCCC1 ZINC001358972129 1068516718 /nfs/dbraw/zinc/51/67/18/1068516718.db2.gz UYFZPUYILNTLQV-UHFFFAOYSA-N 1 0 472.406 4.184 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358986969 1068540218 /nfs/dbraw/zinc/54/02/18/1068540218.db2.gz MZTCVEGVNCQWQW-QFIPXVFZSA-N 1 0 497.485 4.306 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001358988307 1068545648 /nfs/dbraw/zinc/54/56/48/1068545648.db2.gz KZUAVYJFQKJZSL-SFHVURJKSA-N 1 0 474.472 4.354 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C[NH+]1CCCC1 ZINC001358989259 1068550152 /nfs/dbraw/zinc/55/01/52/1068550152.db2.gz VMEBCLXWAUSGLB-UHFFFAOYSA-N 1 0 486.433 4.432 20 30 JIEDRO C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001358995454 1068559010 /nfs/dbraw/zinc/55/90/10/1068559010.db2.gz RHSBKLFLBYPTLU-UHFFFAOYSA-N 1 0 464.038 4.105 20 30 JIEDRO C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358997433 1068563400 /nfs/dbraw/zinc/56/34/00/1068563400.db2.gz SGQQIKDQEHKRHV-QHCPKHFHSA-N 1 0 461.635 4.301 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001358998998 1068569364 /nfs/dbraw/zinc/56/93/64/1068569364.db2.gz ZFSKJHLOMMYWPR-ZFFYZDHPSA-N 1 0 467.702 4.418 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359002176 1068573019 /nfs/dbraw/zinc/57/30/19/1068573019.db2.gz QLKNCWWBSPEULW-GOSISDBHSA-N 1 0 461.452 4.160 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001359002407 1068573544 /nfs/dbraw/zinc/57/35/44/1068573544.db2.gz YFHLGPMRFSLBLJ-OAQYLSRUSA-N 1 0 497.441 4.341 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359002924 1068575564 /nfs/dbraw/zinc/57/55/64/1068575564.db2.gz RVLHTDFAOZAEBI-DLBZAZTESA-N 1 0 462.411 4.427 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001359002992 1068576232 /nfs/dbraw/zinc/57/62/32/1068576232.db2.gz UTCWADPJSHEWCM-NRFANRHFSA-N 1 0 474.447 4.296 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001359004975 1068580037 /nfs/dbraw/zinc/58/00/37/1068580037.db2.gz QRROOIRFUJMSRG-IBGZPJMESA-N 1 0 472.431 4.193 20 30 JIEDRO C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](CC(C)C)[NH+](C)C ZINC001359005087 1068581054 /nfs/dbraw/zinc/58/10/54/1068581054.db2.gz VLCHVWMGYXRCEO-KRWDZBQOSA-N 1 0 450.400 4.283 20 30 JIEDRO C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359007573 1068582961 /nfs/dbraw/zinc/58/29/61/1068582961.db2.gz NOPPTNNGUXERFN-PIKZIKFNSA-N 1 0 489.668 4.035 20 30 JIEDRO C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359012848 1068588564 /nfs/dbraw/zinc/58/85/64/1068588564.db2.gz BEVWZMSPTLEFEW-HSZRJFAPSA-N 1 0 490.677 4.031 20 30 JIEDRO C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359012849 1068588869 /nfs/dbraw/zinc/58/88/69/1068588869.db2.gz BEVWZMSPTLEFEW-QHCPKHFHSA-N 1 0 490.677 4.031 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359014397 1068591979 /nfs/dbraw/zinc/59/19/79/1068591979.db2.gz IBLZVFUYZLMYGG-BDTNDASRSA-N 1 0 472.678 4.178 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359016371 1068598713 /nfs/dbraw/zinc/59/87/13/1068598713.db2.gz ACZWCJZZYZCVRD-OYRHEFFESA-N 1 0 455.622 4.145 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001359017229 1068601418 /nfs/dbraw/zinc/60/14/18/1068601418.db2.gz XULAWECXZXJNQY-UKILVPOCSA-N 1 0 467.633 4.462 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359017867 1068606398 /nfs/dbraw/zinc/60/63/98/1068606398.db2.gz USWZAQQFASUEAK-FCHUYYIVSA-N 1 0 460.601 4.163 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001359020670 1068619012 /nfs/dbraw/zinc/61/90/12/1068619012.db2.gz MBDAYIQWGMFQLF-NTKDMRAZSA-N 1 0 488.474 4.304 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359021521 1068624011 /nfs/dbraw/zinc/62/40/11/1068624011.db2.gz RHRSEBTZYLUIPB-GOSISDBHSA-N 1 0 492.437 4.053 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001359030062 1068634588 /nfs/dbraw/zinc/63/45/88/1068634588.db2.gz NHYIBQMOCKOSSI-GGAORHGYSA-N 1 0 485.076 4.091 20 30 JIEDRO C#CCCCn1c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300424017 1068652006 /nfs/dbraw/zinc/65/20/06/1068652006.db2.gz YWAURZXYKVFRFO-LOLUNWTRSA-N 1 0 479.669 4.221 20 30 JIEDRO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001359050610 1068674788 /nfs/dbraw/zinc/67/47/88/1068674788.db2.gz WAZGUULPOOQUIK-UHFFFAOYSA-N 1 0 499.482 4.033 20 30 JIEDRO C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001359051485 1068677429 /nfs/dbraw/zinc/67/74/29/1068677429.db2.gz YDWXGVLUACWPSU-JOCHJYFZSA-N 1 0 497.709 4.277 20 30 JIEDRO C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001300438313 1068704830 /nfs/dbraw/zinc/70/48/30/1068704830.db2.gz KTUVAVFATQYGKT-QGZVFWFLSA-N 1 0 458.031 4.120 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001359065570 1068709554 /nfs/dbraw/zinc/70/95/54/1068709554.db2.gz UPYNICBRUIKCKC-IUKKYPGJSA-N 1 0 473.463 4.159 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001359065671 1068709848 /nfs/dbraw/zinc/70/98/48/1068709848.db2.gz XPWSIRHHNGZPAM-RGODFAACSA-N 1 0 479.669 4.297 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001300441350 1068716826 /nfs/dbraw/zinc/71/68/26/1068716826.db2.gz LQOPVAIQXLXWBN-SFHVURJKSA-N 1 0 451.615 4.472 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359074686 1068730926 /nfs/dbraw/zinc/73/09/26/1068730926.db2.gz NOBFKRIANGCUKC-BCQCSXDESA-N 1 0 484.689 4.463 20 30 JIEDRO C=C(Br)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001359078822 1068741998 /nfs/dbraw/zinc/74/19/98/1068741998.db2.gz PAGAPVXRFXPLIK-CYBMUJFWSA-N 1 0 487.215 4.286 20 30 JIEDRO C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001359085552 1068765189 /nfs/dbraw/zinc/76/51/89/1068765189.db2.gz SFRXPRNAGSFUCV-UHFFFAOYSA-N 1 0 464.839 4.496 20 30 JIEDRO C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359086216 1068767270 /nfs/dbraw/zinc/76/72/70/1068767270.db2.gz OEWTWUOSDMBEMZ-UHFFFAOYSA-N 1 0 457.420 4.226 20 30 JIEDRO CCCCCCCCCCCCNC(=S)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC001200504121 1068767916 /nfs/dbraw/zinc/76/79/16/1068767916.db2.gz ZSBCAPUDJXFEEH-XMMPIXPASA-N 1 0 476.779 4.358 20 30 JIEDRO C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359087451 1068769955 /nfs/dbraw/zinc/76/99/55/1068769955.db2.gz GMBKWBFAEBHYKX-UHFFFAOYSA-N 1 0 462.436 4.303 20 30 JIEDRO C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001359087570 1068770905 /nfs/dbraw/zinc/77/09/05/1068770905.db2.gz KARNNPLLBGAVED-UHFFFAOYSA-N 1 0 462.436 4.295 20 30 JIEDRO COc1ccccc1[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001300455812 1068773013 /nfs/dbraw/zinc/77/30/13/1068773013.db2.gz CEEBCGMXVKGMFM-JOCHJYFZSA-N 1 0 450.631 4.452 20 30 JIEDRO C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001359089488 1068779685 /nfs/dbraw/zinc/77/96/85/1068779685.db2.gz JZTCGTLKZSQHPY-BSDSXHPESA-N 1 0 454.457 4.024 20 30 JIEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001359102822 1068808445 /nfs/dbraw/zinc/80/84/45/1068808445.db2.gz GAXXMDWQGUVGLE-WIOPSUGQSA-N 1 0 453.631 4.067 20 30 JIEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359106141 1068815906 /nfs/dbraw/zinc/81/59/06/1068815906.db2.gz YFRGNTVBJLKJIU-APJZGJRSSA-N 1 0 467.658 4.285 20 30 JIEDRO C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001359107839 1068817475 /nfs/dbraw/zinc/81/74/75/1068817475.db2.gz WSEFMXGFWARPRQ-DVECYGJZSA-N 1 0 462.038 4.157 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001300475464 1068823338 /nfs/dbraw/zinc/82/33/38/1068823338.db2.gz KJSCPHPMFCOFHJ-SFHVURJKSA-N 1 0 450.414 4.498 20 30 JIEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001359115795 1068825305 /nfs/dbraw/zinc/82/53/05/1068825305.db2.gz NCDPEWABBFTJIL-UHFFFAOYSA-N 1 0 491.684 4.379 20 30 JIEDRO C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300476227 1068825809 /nfs/dbraw/zinc/82/58/09/1068825809.db2.gz ZGFWILLWAOOAPG-NTKDMRAZSA-N 1 0 465.623 4.080 20 30 JIEDRO C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001359118109 1068828338 /nfs/dbraw/zinc/82/83/38/1068828338.db2.gz OYBNHVWZAAHSCW-FQEVSTJZSA-N 1 0 469.431 4.333 20 30 JIEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001359123434 1068833855 /nfs/dbraw/zinc/83/38/55/1068833855.db2.gz LPCLVPCJCVDCHF-UHFFFAOYSA-N 1 0 476.591 4.388 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001359129341 1068840782 /nfs/dbraw/zinc/84/07/82/1068840782.db2.gz ZFLDPSBEHYIYGQ-UHFFFAOYSA-N 1 0 487.092 4.186 20 30 JIEDRO C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001359130085 1068841452 /nfs/dbraw/zinc/84/14/52/1068841452.db2.gz XZRANNXLAORYJJ-UHFFFAOYSA-N 1 0 453.631 4.249 20 30 JIEDRO C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001359152483 1068863218 /nfs/dbraw/zinc/86/32/18/1068863218.db2.gz YPOJVFNTVBTKCD-FQEVSTJZSA-N 1 0 452.430 4.212 20 30 JIEDRO C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359155306 1068865761 /nfs/dbraw/zinc/86/57/61/1068865761.db2.gz SZYJRCHGWYHQOT-UHFFFAOYSA-N 1 0 474.049 4.342 20 30 JIEDRO C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001359160143 1068871108 /nfs/dbraw/zinc/87/11/08/1068871108.db2.gz NACHFTUWQNCFKW-XMMPIXPASA-N 1 0 480.701 4.465 20 30 JIEDRO C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001359160877 1068871799 /nfs/dbraw/zinc/87/17/99/1068871799.db2.gz HYGDPCRZMRLTQQ-SFHVURJKSA-N 1 0 459.392 4.098 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359168340 1068878621 /nfs/dbraw/zinc/87/86/21/1068878621.db2.gz PYNCMPZKWQBHOM-UHFFFAOYSA-N 1 0 458.404 4.038 20 30 JIEDRO C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)CC1 ZINC001359168608 1068878802 /nfs/dbraw/zinc/87/88/02/1068878802.db2.gz BIZHACLRIRGHRB-UHFFFAOYSA-N 1 0 480.440 4.433 20 30 JIEDRO C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001359169134 1068879618 /nfs/dbraw/zinc/87/96/18/1068879618.db2.gz VLVXWAVISASNFV-FQEVSTJZSA-N 1 0 475.106 4.406 20 30 JIEDRO C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359174784 1068887197 /nfs/dbraw/zinc/88/71/97/1068887197.db2.gz OQWZTIJFGKBNND-BKMJKUGQSA-N 1 0 459.679 4.233 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001359175909 1068889237 /nfs/dbraw/zinc/88/92/37/1068889237.db2.gz FRPCGHKEGDCCRR-WOJBJXKFSA-N 1 0 483.657 4.253 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001359175921 1068889304 /nfs/dbraw/zinc/88/93/04/1068889304.db2.gz FYJDYSWWJFZKMH-HSZRJFAPSA-N 1 0 453.631 4.485 20 30 JIEDRO C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)CC1 ZINC001359176999 1068890490 /nfs/dbraw/zinc/89/04/90/1068890490.db2.gz WURHROJTHFRTBI-UHFFFAOYSA-N 1 0 462.461 4.159 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001300513203 1068893421 /nfs/dbraw/zinc/89/34/21/1068893421.db2.gz UNMMUJLRATVDTG-OALUTQOASA-N 1 0 482.053 4.385 20 30 JIEDRO C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001359180799 1068902036 /nfs/dbraw/zinc/90/20/36/1068902036.db2.gz UAOSSKQWRSLKRI-UHFFFAOYSA-N 1 0 451.640 4.322 20 30 JIEDRO C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001359184421 1068913260 /nfs/dbraw/zinc/91/32/60/1068913260.db2.gz OPQUPEPTWVKDAT-UHFFFAOYSA-N 1 0 453.631 4.105 20 30 JIEDRO C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001359203862 1068981007 /nfs/dbraw/zinc/98/10/07/1068981007.db2.gz XMTYCSNYRKNKBI-YPAWHYETSA-N 1 0 472.678 4.422 20 30 JIEDRO C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001359205508 1068983465 /nfs/dbraw/zinc/98/34/65/1068983465.db2.gz ACLAYIVLQKFQKT-UHFFFAOYSA-N 1 0 453.631 4.131 20 30 JIEDRO C=CCCCn1c(N2CCC(C[NH+]3CCCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359220532 1069008758 /nfs/dbraw/zinc/00/87/58/1069008758.db2.gz BOHXNSDJQJCQSW-SANMLTNESA-N 1 0 459.679 4.377 20 30 JIEDRO C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001359222967 1069012314 /nfs/dbraw/zinc/01/23/14/1069012314.db2.gz XETDWCFMNLRMIO-IAGOWNOFSA-N 1 0 480.426 4.358 20 30 JIEDRO C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001359229279 1069027266 /nfs/dbraw/zinc/02/72/66/1069027266.db2.gz DQXNNYIIZIIIJP-YADHBBJMSA-N 1 0 488.677 4.007 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[N@H+](C)C1CCCC1 ZINC001300564875 1069048395 /nfs/dbraw/zinc/04/83/95/1069048395.db2.gz IPEBIZSYPURBPZ-UHFFFAOYSA-N 1 0 468.443 4.353 20 30 JIEDRO C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359244558 1069050244 /nfs/dbraw/zinc/05/02/44/1069050244.db2.gz IDGSIOFANCAWJO-UHFFFAOYSA-N 1 0 471.671 4.240 20 30 JIEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)c1 ZINC000849492155 1069059449 /nfs/dbraw/zinc/05/94/49/1069059449.db2.gz CFLSXMJKBZEBAV-RRPNLBNLSA-N 1 0 484.600 4.059 20 30 JIEDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849501414 1069073039 /nfs/dbraw/zinc/07/30/39/1069073039.db2.gz VUTBMLOFFKKBAG-UIOOFZCWSA-N 1 0 457.578 4.323 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001300570839 1069076534 /nfs/dbraw/zinc/07/65/34/1069076534.db2.gz ZDDXVOLABHXKFX-NOZRDPDXSA-N 1 0 452.606 4.104 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001300594860 1069168235 /nfs/dbraw/zinc/16/82/35/1069168235.db2.gz ASQCXYKMQACTJH-PKTZIBPZSA-N 1 0 482.673 4.078 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001300595234 1069170131 /nfs/dbraw/zinc/17/01/31/1069170131.db2.gz JOZWIIDJUDPMSM-WXFUMESZSA-N 1 0 453.675 4.172 20 30 JIEDRO C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001359251659 1069170078 /nfs/dbraw/zinc/17/00/78/1069170078.db2.gz RMERTFRSNVFOBA-JOCHJYFZSA-N 1 0 488.677 4.006 20 30 JIEDRO 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C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001359255348 1069228284 /nfs/dbraw/zinc/22/82/84/1069228284.db2.gz VKBRBVBTLBXCJM-WWPVKYPJSA-N 1 0 455.647 4.348 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359256325 1069248605 /nfs/dbraw/zinc/24/86/05/1069248605.db2.gz CDPYRYPNRRNRLY-FCHUYYIVSA-N 1 0 462.623 4.211 20 30 JIEDRO C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001359259364 1069277171 /nfs/dbraw/zinc/27/71/71/1069277171.db2.gz UKANVABPTBXAIT-XMMPIXPASA-N 1 0 468.696 4.264 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001359261294 1069283515 /nfs/dbraw/zinc/28/35/15/1069283515.db2.gz CZROMTMPNIRIQI-CYFREDJKSA-N 1 0 458.676 4.181 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001359262777 1069290728 /nfs/dbraw/zinc/29/07/28/1069290728.db2.gz DTKXSMHZYACXHX-UHFFFAOYSA-N 1 0 468.646 4.364 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359263182 1069292270 /nfs/dbraw/zinc/29/22/70/1069292270.db2.gz SMLCEQZSTQJEAC-LJQANCHMSA-N 1 0 453.660 4.443 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300637781 1069295256 /nfs/dbraw/zinc/29/52/56/1069295256.db2.gz KXLZYJURUFNJNO-IBGZPJMESA-N 1 0 474.447 4.200 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001300638079 1069296783 /nfs/dbraw/zinc/29/67/83/1069296783.db2.gz WATITNQAYFIRIA-LEWJYISDSA-N 1 0 466.630 4.116 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)C1)C(C)C ZINC001359265212 1069299032 /nfs/dbraw/zinc/29/90/32/1069299032.db2.gz AVXLCMXBODLSJY-UGKGYDQZSA-N 1 0 493.681 4.234 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2ccc(Cl)nc2C1)C(C)C ZINC001359266096 1069300627 /nfs/dbraw/zinc/30/06/27/1069300627.db2.gz SQVGLDQZIWSHBG-FCHUYYIVSA-N 1 0 471.049 4.439 20 30 JIEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)C(C)C ZINC001359266295 1069301506 /nfs/dbraw/zinc/30/15/06/1069301506.db2.gz XURRXXBSUOYZBH-CKOJHNACSA-N 1 0 494.684 4.121 20 30 JIEDRO N#Cc1c(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1C(F)(F)F ZINC001164627860 719049711 /nfs/dbraw/zinc/04/97/11/719049711.db2.gz WJVBHFIVFYQAGL-KSSFIOAISA-N 1 0 457.834 4.149 20 30 JIEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(C#N)c(Cl)cc3Cl)CC2)c2ccccc21 ZINC001164683953 719681686 /nfs/dbraw/zinc/68/16/86/719681686.db2.gz GSGHTICFIRPFCO-KRWDZBQOSA-N 1 0 486.447 4.353 20 30 JIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c(Cl)nn2)c1 ZINC001164842961 720739774 /nfs/dbraw/zinc/73/97/74/720739774.db2.gz GRQRTZSMCHSBDM-UHFFFAOYSA-N 1 0 483.954 4.462 20 30 JIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844022 720741616 /nfs/dbraw/zinc/74/16/16/720741616.db2.gz NWTKTWLDOLUQGL-UHFFFAOYSA-N 1 0 490.345 4.162 20 30 JIEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746191 720803884 /nfs/dbraw/zinc/80/38/84/720803884.db2.gz MCRMXPQRESRXJE-DQEYMECFSA-N 1 0 474.568 4.419 20 30 JIEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747754 720861669 /nfs/dbraw/zinc/86/16/69/720861669.db2.gz JRWXWUAKIATYMI-LLGFUMIMSA-N 1 0 482.419 4.384 20 30 JIEDRO N#Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164747880 720872598 /nfs/dbraw/zinc/87/25/98/720872598.db2.gz BZVOEPMUQRXKHC-ZJSXRUAMSA-N 1 0 487.982 4.302 20 30 JIEDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)CC[C@@H]2C1 ZINC001164856676 720893866 /nfs/dbraw/zinc/89/38/66/720893866.db2.gz GDUMWKDSINJFJU-KUHUBIRLSA-N 1 0 485.362 4.132 20 30 JIEDRO N#Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc12 ZINC001164753810 720911382 /nfs/dbraw/zinc/91/13/82/720911382.db2.gz UFARYPSPTLNNLD-CUBQBAPOSA-N 1 0 453.590 4.257 20 30 JIEDRO 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Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)CC3)C2)cc1 ZINC001164946169 721933181 /nfs/dbraw/zinc/93/31/81/721933181.db2.gz YSHNWGSOWGHINL-UHFFFAOYSA-N 1 0 457.534 4.195 20 30 JIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001359283394 1069324931 /nfs/dbraw/zinc/32/49/31/1069324931.db2.gz MYUXCLSXFAGRRE-JOCHJYFZSA-N 1 0 463.630 4.018 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300648290 1069325665 /nfs/dbraw/zinc/32/56/65/1069325665.db2.gz MSVWFWDMZFNWOH-SFTDATJTSA-N 1 0 477.632 4.214 20 30 JIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001359284679 1069328216 /nfs/dbraw/zinc/32/82/16/1069328216.db2.gz FOZIZPHHQZFPHD-UHFFFAOYSA-N 1 0 494.381 4.046 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC[N@H+](C)C1CCCCC1 ZINC001300654857 1069346912 /nfs/dbraw/zinc/34/69/12/1069346912.db2.gz JPDOMAZDSFDKKC-UHFFFAOYSA-N 1 0 492.437 4.197 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001300656154 1069351318 /nfs/dbraw/zinc/35/13/18/1069351318.db2.gz ALLKCFVMDUWPFM-LADGPHEKSA-N 1 0 474.634 4.047 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001359312109 1069355854 /nfs/dbraw/zinc/35/58/54/1069355854.db2.gz NVCMJOYIHFEGQA-ZEQRLZLVSA-N 1 0 480.657 4.193 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001300657085 1069354865 /nfs/dbraw/zinc/35/48/65/1069354865.db2.gz GMGXBOMWWLJLTE-QPPBQGQZSA-N 1 0 479.650 4.184 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001359312716 1069356319 /nfs/dbraw/zinc/35/63/19/1069356319.db2.gz ZYYISCPTDXKFRG-ISKFKSNPSA-N 1 0 480.657 4.049 20 30 JIEDRO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300657617 1069358623 /nfs/dbraw/zinc/35/86/23/1069358623.db2.gz YZAZVBPEFSHNRD-NHCUHLMSSA-N 1 0 469.699 4.338 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCC2)C1 ZINC001359315750 1069365694 /nfs/dbraw/zinc/36/56/94/1069365694.db2.gz AUJKJIBLJYWBGB-GOSISDBHSA-N 1 0 478.410 4.114 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001359314967 1069363342 /nfs/dbraw/zinc/36/33/42/1069363342.db2.gz LILIMJFKEJDUHK-OAQYLSRUSA-N 1 0 499.457 4.317 20 30 JIEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001359316707 1069369815 /nfs/dbraw/zinc/36/98/15/1069369815.db2.gz URZYRLBZJZCJTK-QFIPXVFZSA-N 1 0 474.049 4.269 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001359325784 1069381377 /nfs/dbraw/zinc/38/13/77/1069381377.db2.gz MXGOOQSQEATHFV-BDTNDASRSA-N 1 0 488.677 4.006 20 30 JIEDRO C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359326431 1069383712 /nfs/dbraw/zinc/38/37/12/1069383712.db2.gz ZXNVTBPXEYDNRG-NHCUHLMSSA-N 1 0 471.621 4.288 20 30 JIEDRO C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001359337471 1069395256 /nfs/dbraw/zinc/39/52/56/1069395256.db2.gz SXPJCDAOBZEHRZ-QFBILLFUSA-N 1 0 462.461 4.300 20 30 JIEDRO C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001359345104 1069412466 /nfs/dbraw/zinc/41/24/66/1069412466.db2.gz UBWFZGDBEBTTIX-HSZRJFAPSA-N 1 0 454.688 4.276 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300673421 1069414876 /nfs/dbraw/zinc/41/48/76/1069414876.db2.gz ZLRTUXKGKABRSU-IBGZPJMESA-N 1 0 454.644 4.193 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359469005 1069613812 /nfs/dbraw/zinc/61/38/12/1069613812.db2.gz VWEGXHKEOZTRLF-CQSZACIVSA-N 1 0 491.484 4.485 20 30 JIEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359478662 1069643200 /nfs/dbraw/zinc/64/32/00/1069643200.db2.gz YCGVEKLWJUPZLS-UEVCKROQSA-N 1 0 465.646 4.104 20 30 JIEDRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCOCC(F)(F)C(F)F ZINC001359512005 1069792899 /nfs/dbraw/zinc/79/28/99/1069792899.db2.gz JPKSUSRMJOCMEO-UHFFFAOYSA-N 1 0 496.553 4.077 20 30 JIEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001359547956 1069854371 /nfs/dbraw/zinc/85/43/71/1069854371.db2.gz IHVISJOKUFMRHU-FQEVSTJZSA-N 1 0 489.590 4.012 20 30 JIEDRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCOCC1 ZINC001359658724 1070259384 /nfs/dbraw/zinc/25/93/84/1070259384.db2.gz HYKHWGJLQMRDJB-NRFANRHFSA-N 1 0 475.012 4.224 20 30 JIEDRO COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001315525239 1064500038 /nfs/dbraw/zinc/50/00/38/1064500038.db2.gz XRNBJYBACRKMDP-RBBKRZOGSA-N 1 0 466.630 4.401 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001315530575 1064514437 /nfs/dbraw/zinc/51/44/37/1064514437.db2.gz YDMABTHRJZJXKE-VXKWHMMOSA-N 1 0 480.657 4.364 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001315531600 1064516771 /nfs/dbraw/zinc/51/67/71/1064516771.db2.gz KLHBORRBJAYKQH-UHFFFAOYSA-N 1 0 466.630 4.260 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315623988 1064763069 /nfs/dbraw/zinc/76/30/69/1064763069.db2.gz ZZHZQYNSWYHHAW-HSZRJFAPSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315623989 1064763217 /nfs/dbraw/zinc/76/32/17/1064763217.db2.gz ZZHZQYNSWYHHAW-QHCPKHFHSA-N 1 0 450.631 4.128 20 30 JIEDRO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315626941 1064771465 /nfs/dbraw/zinc/77/14/65/1064771465.db2.gz IJHVBKLYEHFINT-RLWLMLJZSA-N 1 0 450.631 4.272 20 30 JIEDRO COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001315661735 1064862411 /nfs/dbraw/zinc/86/24/11/1064862411.db2.gz WNVDRDIWWLHPGR-PMACEKPBSA-N 1 0 456.660 4.438 20 30 JIEDRO COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001315667990 1064889530 /nfs/dbraw/zinc/88/95/30/1064889530.db2.gz RYGLSZARMQYZMV-RLWLMLJZSA-N 1 0 498.697 4.210 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001315704636 1064971915 /nfs/dbraw/zinc/97/19/15/1064971915.db2.gz IAYTUNHZPSEUKP-LJQANCHMSA-N 1 0 484.620 4.187 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001315706603 1064977938 /nfs/dbraw/zinc/97/79/38/1064977938.db2.gz SZJCKVMQIPQUMG-DEOSSOPVSA-N 1 0 472.037 4.013 20 30 JIEDRO CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCC(C)C)CC2)CC1(C)C ZINC001315718808 1065011503 /nfs/dbraw/zinc/01/15/03/1065011503.db2.gz MXXDVLHJZFHZQO-XMMPIXPASA-N 1 0 464.658 4.436 20 30 JIEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001316086625 1065739339 /nfs/dbraw/zinc/73/93/39/1065739339.db2.gz QEKFZPKCJJLDCU-UHFFFAOYSA-N 1 0 487.652 4.452 20 30 JIEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001316281624 1066036083 /nfs/dbraw/zinc/03/60/83/1066036083.db2.gz JFYBEZDAXJMFNT-XWGVYQGASA-N 1 0 480.657 4.043 20 30 JIEDRO CSC1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC[NH+](C)CC1 ZINC001316410339 1066197887 /nfs/dbraw/zinc/19/78/87/1066197887.db2.gz SKYLDMMIPMOIBZ-UHFFFAOYSA-N 1 0 475.062 4.078 20 30 JIEDRO CCOc1c(Br)cc(C[NH2+]CCNc2ncccc2C#N)cc1Br ZINC001327213750 1066314444 /nfs/dbraw/zinc/31/44/44/1066314444.db2.gz YPFTYIIDZKFKEK-UHFFFAOYSA-N 1 0 454.166 4.079 20 30 JIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)CC2)cc1 ZINC001317883728 1066753299 /nfs/dbraw/zinc/75/32/99/1066753299.db2.gz SATQOQAKVPNTTC-SANMLTNESA-N 1 0 468.605 4.098 20 30 JIEDRO C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001318298938 1067007578 /nfs/dbraw/zinc/00/75/78/1067007578.db2.gz YXEKCNAALSWCMA-LJQANCHMSA-N 1 0 476.042 4.183 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300682383 1067017701 /nfs/dbraw/zinc/01/77/01/1067017701.db2.gz GYCOCFDABIBPCN-VXNXHJTFSA-N 1 0 496.675 4.071 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[C@H](OCC)C(C)C)CC1 ZINC001300688494 1067032728 /nfs/dbraw/zinc/03/27/28/1067032728.db2.gz GNGUAWURIBVDAT-UNMCSNQZSA-N 1 0 469.699 4.338 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2sccc2C)CC1 ZINC001300688498 1067032979 /nfs/dbraw/zinc/03/29/79/1067032979.db2.gz GOWVBASLPXYGRO-UHFFFAOYSA-N 1 0 488.430 4.215 20 30 JIEDRO N#Cc1cccnc1NCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC001318419213 1067041339 /nfs/dbraw/zinc/04/13/39/1067041339.db2.gz VWAJJVQHNKDKJY-UHFFFAOYSA-N 1 0 480.572 4.228 20 30 JIEDRO C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001300693283 1067043795 /nfs/dbraw/zinc/04/37/95/1067043795.db2.gz WITKOXXGEVVGNT-OAQYLSRUSA-N 1 0 499.501 4.117 20 30 JIEDRO C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001300755006 1067282454 /nfs/dbraw/zinc/28/24/54/1067282454.db2.gz JCTYSDLFPDNAIJ-QFIPXVFZSA-N 1 0 460.651 4.116 20 30 JIEDRO C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300756911 1067285164 /nfs/dbraw/zinc/28/51/64/1067285164.db2.gz WIEWKVJSPAQDPA-UHFFFAOYSA-N 1 0 464.639 4.277 20 30 JIEDRO C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001300769398 1067315746 /nfs/dbraw/zinc/31/57/46/1067315746.db2.gz GEGCTWOOZQYQCW-OAQYLSRUSA-N 1 0 467.683 4.151 20 30 JIEDRO C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001300769883 1067317131 /nfs/dbraw/zinc/31/71/31/1067317131.db2.gz LGILEONUYLWJJT-FQEVSTJZSA-N 1 0 467.683 4.151 20 30 JIEDRO C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001300769866 1067317413 /nfs/dbraw/zinc/31/74/13/1067317413.db2.gz LCGGEGXXKVBXSY-YADHBBJMSA-N 1 0 467.683 4.328 20 30 JIEDRO COC1CC[NH+](C(C)(C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001300786814 1067349894 /nfs/dbraw/zinc/34/98/94/1067349894.db2.gz QODMBKIRJRAPLY-UHFFFAOYSA-N 1 0 494.684 4.493 20 30 JIEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300789849 1067358566 /nfs/dbraw/zinc/35/85/66/1067358566.db2.gz AZVIUQVUCYZINK-LGVUCKNBSA-N 1 0 465.642 4.322 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001300029540 1067414209 /nfs/dbraw/zinc/41/42/09/1067414209.db2.gz SIZLOPDZLABYSL-UHFFFAOYSA-N 1 0 487.446 4.331 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC001300030643 1067419594 /nfs/dbraw/zinc/41/95/94/1067419594.db2.gz LELBGJFLNMIAET-FQEVSTJZSA-N 1 0 466.630 4.214 20 30 JIEDRO COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC2([NH+](C)C)CCCCC2)c(OC)c1 ZINC001300031275 1067421702 /nfs/dbraw/zinc/42/17/02/1067421702.db2.gz YEEIHMOQMVVVDT-UHFFFAOYSA-N 1 0 466.630 4.357 20 30 JIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001355428012 1067461809 /nfs/dbraw/zinc/46/18/09/1067461809.db2.gz CGWGARITWMKHHH-UHFFFAOYSA-N 1 0 455.562 4.072 20 30 JIEDRO N#Cc1cc2c(n(CCOc3ccccc3C(F)(F)F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001473062395 1067799692 /nfs/dbraw/zinc/79/96/92/1067799692.db2.gz KSXLBMVCTMAUIH-UHFFFAOYSA-N 1 0 453.464 4.376 20 30 JIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001357130308 1067807888 /nfs/dbraw/zinc/80/78/88/1067807888.db2.gz SZYMNSIFWQGEQC-HSZRJFAPSA-N 1 0 450.583 4.105 20 30 JIEDRO COc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300271502 1068052451 /nfs/dbraw/zinc/05/24/51/1068052451.db2.gz LNSMAZQRBUKLET-OAQYLSRUSA-N 1 0 480.638 4.360 20 30 JIEDRO N#Cc1ccc(CSc2nnc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)s2)cc1 ZINC000510240421 1068163696 /nfs/dbraw/zinc/16/36/96/1068163696.db2.gz KTQJZQVAUXGREW-QGZVFWFLSA-N 1 0 454.581 4.254 20 30 JIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000511547532 1068198965 /nfs/dbraw/zinc/19/89/65/1068198965.db2.gz PERMIIDMIRNHPD-SFHVURJKSA-N 1 0 456.572 4.266 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001300329058 1068263396 /nfs/dbraw/zinc/26/33/96/1068263396.db2.gz NUJRANXGBWXJEN-XZCBWCRCSA-N 1 0 486.705 4.265 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300334178 1068299651 /nfs/dbraw/zinc/29/96/51/1068299651.db2.gz IGEYICVWQBWVEN-LEWJYISDSA-N 1 0 464.658 4.043 20 30 JIEDRO C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001300345241 1068341251 /nfs/dbraw/zinc/34/12/51/1068341251.db2.gz RFZPWPUUVROSMS-UHFFFAOYSA-N 1 0 466.033 4.199 20 30 JIEDRO C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300347954 1068350696 /nfs/dbraw/zinc/35/06/96/1068350696.db2.gz HTHHOBPPZWJNRK-UHFFFAOYSA-N 1 0 492.437 4.197 20 30 JIEDRO C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300348169 1068351443 /nfs/dbraw/zinc/35/14/43/1068351443.db2.gz IZOYWTFIMZHEQO-HXUWFJFHSA-N 1 0 486.458 4.060 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001358871375 1068364493 /nfs/dbraw/zinc/36/44/93/1068364493.db2.gz DSPXBKHYYRRXOS-UXHICEINSA-N 1 0 451.615 4.149 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+](C)Cc1ccccc1 ZINC001358875963 1068373116 /nfs/dbraw/zinc/37/31/16/1068373116.db2.gz ZJTKZTDIISNZTH-SFHVURJKSA-N 1 0 469.431 4.026 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001358876706 1068374331 /nfs/dbraw/zinc/37/43/31/1068374331.db2.gz OZHLYMMGHNGZDE-IBGZPJMESA-N 1 0 456.034 4.480 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001358877975 1068376584 /nfs/dbraw/zinc/37/65/84/1068376584.db2.gz NRDPWAKIKNHWER-OAHLLOKOSA-N 1 0 458.429 4.337 20 30 JIEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001358887968 1068384912 /nfs/dbraw/zinc/38/49/12/1068384912.db2.gz FTPDBSGYNIFWCZ-XUZZJYLKSA-N 1 0 494.684 4.351 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358888160 1068385008 /nfs/dbraw/zinc/38/50/08/1068385008.db2.gz IDDJSDDKLAHAFN-QUCCMNQESA-N 1 0 486.686 4.215 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001358888161 1068385550 /nfs/dbraw/zinc/38/55/50/1068385550.db2.gz IDDJSDDKLAHAFN-UYAOXDASSA-N 1 0 486.686 4.215 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001358893469 1068388705 /nfs/dbraw/zinc/38/87/05/1068388705.db2.gz VJMSRPFGLXOWJU-OAQYLSRUSA-N 1 0 467.683 4.087 20 30 JIEDRO 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 ZINC001358898824 1068394022 /nfs/dbraw/zinc/39/40/22/1068394022.db2.gz BALXVOZJQUOJLG-ACRUOGEOSA-N 1 0 472.678 4.319 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001358899704 1068396358 /nfs/dbraw/zinc/39/63/58/1068396358.db2.gz SMEQUNYKNOZVIP-AGILITTLSA-N 1 0 467.658 4.033 20 30 JIEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001358900300 1068398409 /nfs/dbraw/zinc/39/84/09/1068398409.db2.gz HPZISXIECYUQLJ-HUVFLSCGSA-N 1 0 492.668 4.151 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001358902812 1068404982 /nfs/dbraw/zinc/40/49/82/1068404982.db2.gz ZXECOZAUEYVRGI-NRFANRHFSA-N 1 0 478.685 4.433 20 30 JIEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001358903026 1068406371 /nfs/dbraw/zinc/40/63/71/1068406371.db2.gz IYBFAWMIYNKECD-SFTDATJTSA-N 1 0 490.677 4.107 20 30 JIEDRO C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300371865 1068428820 /nfs/dbraw/zinc/42/88/20/1068428820.db2.gz JMFMIHOEZNVPOZ-UHFFFAOYSA-N 1 0 474.447 4.344 20 30 JIEDRO C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001358921539 1068458558 /nfs/dbraw/zinc/45/85/58/1068458558.db2.gz AHMNYQIMMPTQTG-JOCHJYFZSA-N 1 0 495.668 4.477 20 30 JIEDRO C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001358933627 1068479062 /nfs/dbraw/zinc/47/90/62/1068479062.db2.gz ZMPJCNHXWUYICH-JOCHJYFZSA-N 1 0 451.663 4.034 20 30 JIEDRO C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001358933855 1068480020 /nfs/dbraw/zinc/48/00/20/1068480020.db2.gz GSFUWPLEHIKGMS-FQEVSTJZSA-N 1 0 472.431 4.098 20 30 JIEDRO C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001358936252 1068487223 /nfs/dbraw/zinc/48/72/23/1068487223.db2.gz IOODOBORPOOXBX-FQEVSTJZSA-N 1 0 458.651 4.074 20 30 JIEDRO C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001358941649 1068493639 /nfs/dbraw/zinc/49/36/39/1068493639.db2.gz RTHLOKHXCGQFHK-UHFFFAOYSA-N 1 0 476.316 4.190 20 30 JIEDRO C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001358954258 1068503280 /nfs/dbraw/zinc/50/32/80/1068503280.db2.gz AUWUKCLIVLJJNC-TZRRMPRUSA-N 1 0 492.668 4.029 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CC[NH+](CC)CC1 ZINC001358968853 1068508483 /nfs/dbraw/zinc/50/84/83/1068508483.db2.gz AQHARQKTBDBXDN-FQEVSTJZSA-N 1 0 454.018 4.266 20 30 JIEDRO C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001358969252 1068509548 /nfs/dbraw/zinc/50/95/48/1068509548.db2.gz KTFFADMQWFYWPM-RDPSFJRHSA-N 1 0 451.590 4.141 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCC[N@H+]1CC ZINC001358971376 1068513562 /nfs/dbraw/zinc/51/35/62/1068513562.db2.gz SCYMPFROMZEKAX-JOCHJYFZSA-N 1 0 458.635 4.324 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001358971434 1068514045 /nfs/dbraw/zinc/51/40/45/1068514045.db2.gz VNJHIVODNVOFLO-FGZHOGPDSA-N 1 0 454.622 4.243 20 30 JIEDRO C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001300392068 1068514314 /nfs/dbraw/zinc/51/43/14/1068514314.db2.gz YFUNKZBEHZUDDH-QGZVFWFLSA-N 1 0 462.411 4.428 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[N@@H+](C)C(C)C ZINC001358972860 1068519336 /nfs/dbraw/zinc/51/93/36/1068519336.db2.gz VUJXCERNXFZSMF-UHFFFAOYSA-N 1 0 462.823 4.164 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001358973053 1068520206 /nfs/dbraw/zinc/52/02/06/1068520206.db2.gz DDXKQFNHAIVMDO-UHFFFAOYSA-N 1 0 474.996 4.032 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001358973649 1068521973 /nfs/dbraw/zinc/52/19/73/1068521973.db2.gz ZJIPGUXWDAHYBD-IBGZPJMESA-N 1 0 453.999 4.044 20 30 JIEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001358974882 1068524418 /nfs/dbraw/zinc/52/44/18/1068524418.db2.gz VGURSAPNYCIXND-NTKDMRAZSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@H+](C)C1CCCC1 ZINC001358986173 1068536110 /nfs/dbraw/zinc/53/61/10/1068536110.db2.gz PFRWKUFVKTVEBG-FQEVSTJZSA-N 1 0 454.018 4.409 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001358986968 1068539936 /nfs/dbraw/zinc/53/99/36/1068539936.db2.gz MZTCVEGVNCQWQW-JOCHJYFZSA-N 1 0 497.485 4.306 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)[NH+](CC)CC ZINC001358987784 1068542914 /nfs/dbraw/zinc/54/29/14/1068542914.db2.gz RUNGVOGHPDYXNJ-KRWDZBQOSA-N 1 0 460.395 4.040 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001358988181 1068545736 /nfs/dbraw/zinc/54/57/36/1068545736.db2.gz GOGYVRVXDDOGHW-FQEVSTJZSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001358990241 1068553117 /nfs/dbraw/zinc/55/31/17/1068553117.db2.gz HCTPGFHHCDESCJ-FQEVSTJZSA-N 1 0 468.443 4.435 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001358990462 1068553537 /nfs/dbraw/zinc/55/35/37/1068553537.db2.gz OYMMDYOONVPSNR-HXUWFJFHSA-N 1 0 468.443 4.291 20 30 JIEDRO C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001358991852 1068554349 /nfs/dbraw/zinc/55/43/49/1068554349.db2.gz QTLVOFAPWSYWAO-SANMLTNESA-N 1 0 452.606 4.022 20 30 JIEDRO C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001358998476 1068567347 /nfs/dbraw/zinc/56/73/47/1068567347.db2.gz GRWZFEGKUDAIMD-HXUWFJFHSA-N 1 0 456.059 4.419 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001358998997 1068569349 /nfs/dbraw/zinc/56/93/49/1068569349.db2.gz ZFSKJHLOMMYWPR-CXSMSNRLSA-N 1 0 467.702 4.418 20 30 JIEDRO C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001359001871 1068571630 /nfs/dbraw/zinc/57/16/30/1068571630.db2.gz GLKZXUUJIGIRRZ-HXUWFJFHSA-N 1 0 478.666 4.337 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001359002216 1068573097 /nfs/dbraw/zinc/57/30/97/1068573097.db2.gz RQSHSQWLZWKOBI-SANMLTNESA-N 1 0 474.653 4.169 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001359002281 1068573636 /nfs/dbraw/zinc/57/36/36/1068573636.db2.gz UMYWQZNOLALTAQ-IBGZPJMESA-N 1 0 461.452 4.160 20 30 JIEDRO C#CCN(CC)c1nnc(COc2ccccc2F)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001359014171 1068590530 /nfs/dbraw/zinc/59/05/30/1068590530.db2.gz ZKQSRQPXDAWGOF-UHFFFAOYSA-N 1 0 471.646 4.207 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359014543 1068591863 /nfs/dbraw/zinc/59/18/63/1068591863.db2.gz MQGPYJFKLXXGPR-OALUTQOASA-N 1 0 472.659 4.174 20 30 JIEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](CC)C1CC1 ZINC001359017927 1068606568 /nfs/dbraw/zinc/60/65/68/1068606568.db2.gz XENBDDJAJOGWHR-DNQXCXABSA-N 1 0 467.633 4.460 20 30 JIEDRO C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359030617 1068639588 /nfs/dbraw/zinc/63/95/88/1068639588.db2.gz ZOFIFILZCWVVGE-UKILVPOCSA-N 1 0 462.686 4.086 20 30 JIEDRO C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359030616 1068639971 /nfs/dbraw/zinc/63/99/71/1068639971.db2.gz ZOFIFILZCWVVGE-NOZRDPDXSA-N 1 0 462.686 4.086 20 30 JIEDRO C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001300423815 1068651219 /nfs/dbraw/zinc/65/12/19/1068651219.db2.gz WJHUDUCJRLJOPS-QHCPKHFHSA-N 1 0 465.642 4.227 20 30 JIEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001359040941 1068654616 /nfs/dbraw/zinc/65/46/16/1068654616.db2.gz JZNPPOHKZDPSDI-CUYJMHBOSA-N 1 0 490.696 4.058 20 30 JIEDRO C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001359049747 1068669485 /nfs/dbraw/zinc/66/94/85/1068669485.db2.gz VNTFEPWIKXZGCW-FCHUYYIVSA-N 1 0 453.656 4.076 20 30 JIEDRO 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4.006 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001300595116 1069170151 /nfs/dbraw/zinc/17/01/51/1069170151.db2.gz GYJNQDMNSIFWCR-CLJLJLNGSA-N 1 0 473.665 4.304 20 30 JIEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCCC1 ZINC001300595888 1069172168 /nfs/dbraw/zinc/17/21/68/1069172168.db2.gz SECIPZKZOVGXTA-DEOSSOPVSA-N 1 0 496.700 4.469 20 30 JIEDRO C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001300604933 1069196554 /nfs/dbraw/zinc/19/65/54/1069196554.db2.gz QQFAZDLCWIESJW-LJQANCHMSA-N 1 0 462.411 4.427 20 30 JIEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359257827 1069259580 /nfs/dbraw/zinc/25/95/80/1069259580.db2.gz XDICSHZDVWWTTC-VWLOTQADSA-N 1 0 486.668 4.324 20 30 JIEDRO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849602708 1069260279 /nfs/dbraw/zinc/26/02/79/1069260279.db2.gz QBBZGGCIEOWQCC-OALUTQOASA-N 1 0 461.404 4.200 20 30 JIEDRO C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300631473 1069279512 /nfs/dbraw/zinc/27/95/12/1069279512.db2.gz QUURZEQNTQWQRK-VIZSFHNOSA-N 1 0 451.615 4.007 20 30 JIEDRO C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359260066 1069279674 /nfs/dbraw/zinc/27/96/74/1069279674.db2.gz RRNGCIZOPPIXJY-FQEVSTJZSA-N 1 0 451.594 4.131 20 30 JIEDRO C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001359264368 1069295622 /nfs/dbraw/zinc/29/56/22/1069295622.db2.gz DBGSUCGRABDKCN-UHFFFAOYSA-N 1 0 471.696 4.420 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001359265036 1069297899 /nfs/dbraw/zinc/29/78/99/1069297899.db2.gz WLJWUOQOWMKHOA-QFIPXVFZSA-N 1 0 481.641 4.030 20 30 JIEDRO C=CC[NH+](CC=C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCOCC1)C(C)C ZINC001359266188 1069301553 /nfs/dbraw/zinc/30/15/53/1069301553.db2.gz WAAUTWFQNFEFQB-XPWALMASSA-N 1 0 459.679 4.122 20 30 JIEDRO COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300639233 1069301886 /nfs/dbraw/zinc/30/18/86/1069301886.db2.gz JRVKARQDWOXPMM-NRFANRHFSA-N 1 0 480.638 4.360 20 30 JIEDRO CC(C)c1ccc(C#N)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164682892 719659102 /nfs/dbraw/zinc/65/91/02/719659102.db2.gz TXUPYLPZYMDDTF-QFIPXVFZSA-N 1 0 459.638 4.170 20 30 JIEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cc1 ZINC001164695351 719887813 /nfs/dbraw/zinc/88/78/13/719887813.db2.gz PCCBSUVTBZSOAI-QHCPKHFHSA-N 1 0 459.619 4.373 20 30 JIEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164710592 720097819 /nfs/dbraw/zinc/09/78/19/720097819.db2.gz JQXPFFMRHGTVIK-CLJLJLNGSA-N 1 0 482.632 4.343 20 30 JIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(Cl)nn2)c1 ZINC001164743717 720595449 /nfs/dbraw/zinc/59/54/49/720595449.db2.gz QJGWFGVNZXUKHQ-UHFFFAOYSA-N 1 0 483.954 4.069 20 30 JIEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC[C@@H]21 ZINC001164842793 720647698 /nfs/dbraw/zinc/64/76/98/720647698.db2.gz UHQQDEGAXBWFFP-NRJQMVOHSA-N 1 0 452.965 4.473 20 30 JIEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc2c1Cl ZINC001164746154 720807476 /nfs/dbraw/zinc/80/74/76/720807476.db2.gz LXSQMXGXJURRPK-HUUCEWRRSA-N 1 0 491.329 4.090 20 30 JIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755488 720876213 /nfs/dbraw/zinc/87/62/13/720876213.db2.gz XWUPQCMAZPMHLA-AMGIVPHBSA-N 1 0 489.023 4.305 20 30 JIEDRO N#Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164757428 720888164 /nfs/dbraw/zinc/88/81/64/720888164.db2.gz UPOYKSFMMXOSNB-URXFXBBRSA-N 1 0 487.982 4.302 20 30 JIEDRO N#Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc12 ZINC001164753812 720909981 /nfs/dbraw/zinc/90/99/81/720909981.db2.gz UFARYPSPTLNNLD-UFHPHHKVSA-N 1 0 453.590 4.257 20 30 JIEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1F ZINC001164909940 721536327 /nfs/dbraw/zinc/53/63/27/721536327.db2.gz SOFMGYOOCBRLKS-PKOBYXMFSA-N 1 0 467.907 4.289 20 30 JIEDRO N#C[C@@H](c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1)c1ccccc1F ZINC001164906763 721712137 /nfs/dbraw/zinc/71/21/37/721712137.db2.gz NZXDTHQDBLNFLB-PXDATVDWSA-N 1 0 478.522 4.404 20 30 JIEDRO COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C#N)c(Cl)n1 ZINC001164908080 721712248 /nfs/dbraw/zinc/71/22/48/721712248.db2.gz VFZHFXFQQNLBRP-FQEVSTJZSA-N 1 0 483.897 4.293 20 30 JIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C[C@@H]21 ZINC001165018851 721817182 /nfs/dbraw/zinc/81/71/82/721817182.db2.gz ARMSGMLSTIXOCQ-WVIBYCHQSA-N 1 0 456.569 4.403 20 30 JIEDRO