smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164619804 719009516 /nfs/dbraw/zinc/00/95/16/719009516.db2.gz XBMIUXFAKZWLIA-QRWLVFNGSA-N 1 0 438.906 3.301 20 30 IGEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)n1 ZINC001164663832 719359090 /nfs/dbraw/zinc/35/90/90/719359090.db2.gz HHPRTOMXYBQTCO-VWLOTQADSA-N 1 0 432.572 3.067 20 30 IGEDRO COc1cc(C#N)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164683102 719670304 /nfs/dbraw/zinc/67/03/04/719670304.db2.gz QSQWYYZOYLFXNJ-IBGZPJMESA-N 1 0 447.583 3.055 20 30 IGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164691367 719757167 /nfs/dbraw/zinc/75/71/67/719757167.db2.gz NXALEJOQMIMCIK-UHFFFAOYSA-N 1 0 433.890 3.219 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2C#N)CC1 ZINC001164821604 720310404 /nfs/dbraw/zinc/31/04/04/720310404.db2.gz LDUNVENYJUUZSG-ZWKOTPCHSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C#N)c2)CC1 ZINC001164823913 720319833 /nfs/dbraw/zinc/31/98/33/720319833.db2.gz BRKTZVLFIWLSTP-ROUUACIJSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001164830055 720321806 /nfs/dbraw/zinc/32/18/06/720321806.db2.gz OMCCXGZDNOKQNC-DLBZAZTESA-N 1 0 437.922 3.063 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742670 720830837 /nfs/dbraw/zinc/83/08/37/720830837.db2.gz QKJSPCQGVMOKPT-RCCFBDPRSA-N 1 0 447.921 3.122 20 30 IGEDRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C=NO)c1 ZINC001164755612 720899839 /nfs/dbraw/zinc/89/98/39/720899839.db2.gz MERXJKWCAOIISG-NOZRDPDXSA-N 1 0 435.572 3.348 20 30 IGEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861871 721002493 /nfs/dbraw/zinc/00/24/93/721002493.db2.gz QZSXSNQTSXHTTQ-WMZOPIPTSA-N 1 0 447.543 3.028 20 30 IGEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789959 721460573 /nfs/dbraw/zinc/46/05/73/721460573.db2.gz YTBAMCBHQDAAPO-NRFANRHFSA-N 1 0 430.593 3.084 20 30 IGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)cnc3cnc(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164809975 721534457 /nfs/dbraw/zinc/53/44/57/721534457.db2.gz VXSCQQYIBVVWMC-TXTKFYIRSA-N 1 0 434.931 3.418 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971474 722109863 /nfs/dbraw/zinc/10/98/63/722109863.db2.gz CQJAQHLDRLQNPJ-LPHOPBHVSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981053 722121712 /nfs/dbraw/zinc/12/17/12/722121712.db2.gz SFFPPSQKZVJCJY-ZWKOTPCHSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984628 722132941 /nfs/dbraw/zinc/13/29/41/722132941.db2.gz YAGVEYVMUGMKJU-LPHOPBHVSA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164620263 719007119 /nfs/dbraw/zinc/00/71/19/719007119.db2.gz YCHODEIYYMVPJW-MGPUTAFESA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC001164618126 719034750 /nfs/dbraw/zinc/03/47/50/719034750.db2.gz SRSJIDDZWNNXKZ-UHFFFAOYSA-N 1 0 437.500 3.259 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(C#N)c3F)CC2)c2ccccc21 ZINC001164681494 719667805 /nfs/dbraw/zinc/66/78/05/719667805.db2.gz LYBFQSQDHJIKIX-IBGZPJMESA-N 1 0 435.547 3.186 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001164824481 720292875 /nfs/dbraw/zinc/29/28/75/720292875.db2.gz RCOYMMACODVUKR-DLBZAZTESA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2C#N)CC1 ZINC001164818565 720298166 /nfs/dbraw/zinc/29/81/66/720298166.db2.gz AHRPCFHKIFRONT-MSOLQXFVSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C#N)c2)CC1 ZINC001164823911 720319741 /nfs/dbraw/zinc/31/97/41/720319741.db2.gz BRKTZVLFIWLSTP-QZTJIDSGSA-N 1 0 437.922 3.063 20 30 IGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)CC[C@@H]21 ZINC001164835574 720593843 /nfs/dbraw/zinc/59/38/43/720593843.db2.gz BKHVRWNDLXAZTE-PUHATCMVSA-N 1 0 434.588 3.228 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739267 720831602 /nfs/dbraw/zinc/83/16/02/720831602.db2.gz HWTDMXTYRKJMSN-SZVBFZGTSA-N 1 0 447.921 3.122 20 30 IGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)[C@H]2C ZINC001164862601 721013218 /nfs/dbraw/zinc/01/32/18/721013218.db2.gz RIDCPBJQCZZEJQ-FUHWJXTLSA-N 1 0 439.564 3.043 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164889977 721393656 /nfs/dbraw/zinc/39/36/56/721393656.db2.gz NCEJYULHUUCSOY-KKSFZXQISA-N 1 0 438.403 3.334 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979307 722101772 /nfs/dbraw/zinc/10/17/72/722101772.db2.gz HXQCMRLTGIUMCO-ZWKOTPCHSA-N 1 0 433.890 3.274 20 30 IGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985444 722133338 /nfs/dbraw/zinc/13/33/38/722133338.db2.gz ZMRGUDKPBRVHLZ-KNQAVFIVSA-N 1 0 448.571 3.060 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984629 722133461 /nfs/dbraw/zinc/13/34/61/722133461.db2.gz YAGVEYVMUGMKJU-QFBILLFUSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979600 722138382 /nfs/dbraw/zinc/13/83/82/722138382.db2.gz LMEILJQFIOFZGI-UPVQGACJSA-N 1 0 426.524 3.138 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164617428 719008389 /nfs/dbraw/zinc/00/83/89/719008389.db2.gz ODVGIPPLVXOIRA-OXJNMPFZSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164614125 719010085 /nfs/dbraw/zinc/01/00/85/719010085.db2.gz CNWPUGBZAHJUFF-UZLBHIALSA-N 1 0 438.906 3.301 20 30 IGEDRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1)C1CC1 ZINC001164663456 719358777 /nfs/dbraw/zinc/35/87/77/719358777.db2.gz FYZMHUOKOVGYFB-VWLOTQADSA-N 1 0 432.572 3.066 20 30 IGEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)n1 ZINC001164664884 719358836 /nfs/dbraw/zinc/35/88/36/719358836.db2.gz RLLKEJYXDNLNCL-VWLOTQADSA-N 1 0 432.572 3.067 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001164824484 720293552 /nfs/dbraw/zinc/29/35/52/720293552.db2.gz RCOYMMACODVUKR-SJORKVTESA-N 1 0 437.922 3.063 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826605 720303393 /nfs/dbraw/zinc/30/33/93/720303393.db2.gz VWVNYHINAQWPDF-IAGOWNOFSA-N 1 0 436.387 3.480 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2C#N)CC1 ZINC001164821603 720310343 /nfs/dbraw/zinc/31/03/43/720310343.db2.gz LDUNVENYJUUZSG-ROUUACIJSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001164833948 720316335 /nfs/dbraw/zinc/31/63/35/720316335.db2.gz YFQULSBORBZSFK-ROUUACIJSA-N 1 0 437.922 3.063 20 30 IGEDRO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834941 720505671 /nfs/dbraw/zinc/50/56/71/720505671.db2.gz IOUYQQGQMOBKHL-BFYDXBDKSA-N 1 0 431.997 3.298 20 30 IGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164855347 720893586 /nfs/dbraw/zinc/89/35/86/720893586.db2.gz BHNKRHYNTTWRLF-ORAYPTAESA-N 1 0 436.890 3.212 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001164759440 721240111 /nfs/dbraw/zinc/24/01/11/721240111.db2.gz AHMYJYOKIXBSRD-RTBURBONSA-N 1 0 449.946 3.486 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5cccs5)ccc4C#N)C3)O2)CC1 ZINC001164894899 721436532 /nfs/dbraw/zinc/43/65/32/721436532.db2.gz NACNIIUNMVATAZ-YKSBVNFPSA-N 1 0 437.613 3.447 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979301 722101645 /nfs/dbraw/zinc/10/16/45/722101645.db2.gz HXQCMRLTGIUMCO-QZTJIDSGSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975494 722103571 /nfs/dbraw/zinc/10/35/71/722103571.db2.gz CAHVZDYLRKRHMJ-LPHOPBHVSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164975680 722115147 /nfs/dbraw/zinc/11/51/47/722115147.db2.gz KGRSXMSKWSBAAG-APWZRJJASA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971878 722121656 /nfs/dbraw/zinc/12/16/56/722121656.db2.gz CYXRLQZVAUZYLU-MSOLQXFVSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977303 722154060 /nfs/dbraw/zinc/15/40/60/722154060.db2.gz YLKMBEUGMBEJLU-WZONZLPQSA-N 1 0 444.495 3.137 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164423668 718944325 /nfs/dbraw/zinc/94/43/25/718944325.db2.gz JFTGILDIMPSPHI-DLBZAZTESA-N 1 0 432.858 3.404 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164618709 719007770 /nfs/dbraw/zinc/00/77/70/719007770.db2.gz SJCITLMDPHJMRZ-OXQOHEQNSA-N 1 0 438.906 3.301 20 30 IGEDRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C=NO)c1 ZINC001164683509 719675561 /nfs/dbraw/zinc/67/55/61/719675561.db2.gz RYRIQOCYSIOJHO-HXUWFJFHSA-N 1 0 449.599 3.292 20 30 IGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)C2 ZINC001164810506 720147830 /nfs/dbraw/zinc/14/78/30/720147830.db2.gz JYBMTXAXQZWSSC-HOYKHHGWSA-N 1 0 425.577 3.123 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001164824483 720293520 /nfs/dbraw/zinc/29/35/20/720293520.db2.gz RCOYMMACODVUKR-IRXDYDNUSA-N 1 0 437.922 3.063 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826600 720303894 /nfs/dbraw/zinc/30/38/94/720303894.db2.gz VWVNYHINAQWPDF-DLBZAZTESA-N 1 0 436.387 3.480 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001164834170 720330975 /nfs/dbraw/zinc/33/09/75/720330975.db2.gz YMURARMTDSIKSI-ROUUACIJSA-N 1 0 437.922 3.063 20 30 IGEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164836692 720525036 /nfs/dbraw/zinc/52/50/36/720525036.db2.gz NLENPUTYJSUEAR-XQBPLPMBSA-N 1 0 436.560 3.013 20 30 IGEDRO COc1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C#N)c(Cl)n1 ZINC001164728846 720571686 /nfs/dbraw/zinc/57/16/86/720571686.db2.gz NMYPYDJIKLAAGS-UHFFFAOYSA-N 1 0 436.894 3.015 20 30 IGEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c(C)c1Cl ZINC001164748688 720812043 /nfs/dbraw/zinc/81/20/43/720812043.db2.gz QYRGZQXEMIZNDV-NLWGTHIKSA-N 1 0 425.968 3.194 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164749281 720812184 /nfs/dbraw/zinc/81/21/84/720812184.db2.gz SYBKQYMVTOHCHX-FGTMMUONSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742668 720830560 /nfs/dbraw/zinc/83/05/60/720830560.db2.gz QKJSPCQGVMOKPT-KZNAEPCWSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749112 720879024 /nfs/dbraw/zinc/87/90/24/720879024.db2.gz GTUVKLJGAWHAFZ-OFNKIYASSA-N 1 0 438.963 3.152 20 30 IGEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753340 720888790 /nfs/dbraw/zinc/88/87/90/720888790.db2.gz GREHDZVJRMBNBO-GBXCKJPGSA-N 1 0 448.527 3.012 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164867958 721052295 /nfs/dbraw/zinc/05/22/95/721052295.db2.gz LKGMUBGRIMTXBM-HJOGWXRNSA-N 1 0 440.551 3.315 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164761536 721078810 /nfs/dbraw/zinc/07/88/10/721078810.db2.gz BSFNGBMKMLITTF-KBPBESRZSA-N 1 0 441.313 3.497 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164767404 721081763 /nfs/dbraw/zinc/08/17/63/721081763.db2.gz LQNZOYFVAKVDQC-ZRBLBEILSA-N 1 0 427.556 3.132 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(COc5ccc(CC#N)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164767741 721205556 /nfs/dbraw/zinc/20/55/56/721205556.db2.gz KLJOLINASOEKLT-ZEQRLZLVSA-N 1 0 442.567 3.418 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4C#N)C[C@H]3C2)cn1 ZINC001164763245 721239619 /nfs/dbraw/zinc/23/96/19/721239619.db2.gz MXECJXCGNOEYTJ-RTBURBONSA-N 1 0 449.946 3.486 20 30 IGEDRO Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893749 721427090 /nfs/dbraw/zinc/42/70/90/721427090.db2.gz KERCKHSCMLXRQR-ZCYQVOJMSA-N 1 0 440.708 3.384 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5cccs5)ccc4C#N)C3)O2)CC1 ZINC001164894898 721436226 /nfs/dbraw/zinc/43/62/26/721436226.db2.gz NACNIIUNMVATAZ-RDPSFJRHSA-N 1 0 437.613 3.447 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899258 721524138 /nfs/dbraw/zinc/52/41/38/721524138.db2.gz KSYGZSYUCAXCCY-SJLPKXTDSA-N 1 0 444.894 3.264 20 30 IGEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccc(F)cc3)ccc1C#N)CCC2 ZINC001165000623 722250765 /nfs/dbraw/zinc/25/07/65/722250765.db2.gz UWSOKMICXJYBAA-UHFFFAOYSA-N 1 0 434.519 3.444 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164613961 719008619 /nfs/dbraw/zinc/00/86/19/719008619.db2.gz ARYYPJZGXRGKBB-OXQOHEQNSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164619796 719008719 /nfs/dbraw/zinc/00/87/19/719008719.db2.gz XBMIUXFAKZWLIA-FOIQADDNSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164614121 719010103 /nfs/dbraw/zinc/01/01/03/719010103.db2.gz CNWPUGBZAHJUFF-OXJNMPFZSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)CC1 ZINC001164614635 719022170 /nfs/dbraw/zinc/02/21/70/719022170.db2.gz VURMWSZBUOIGLL-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C#N)c1 ZINC001164684372 719658232 /nfs/dbraw/zinc/65/82/32/719658232.db2.gz XCMNLIVEECHPTI-FQEVSTJZSA-N 1 0 431.584 3.355 20 30 IGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)C2 ZINC001164810509 720147983 /nfs/dbraw/zinc/14/79/83/720147983.db2.gz JYBMTXAXQZWSSC-KOSHJBKYSA-N 1 0 425.577 3.123 20 30 IGEDRO CCCc1cc(C#N)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164814022 720226359 /nfs/dbraw/zinc/22/63/59/720226359.db2.gz RBJJTRLUAYVICO-UHFFFAOYSA-N 1 0 428.968 3.366 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2C#N)CC1 ZINC001164821601 720310135 /nfs/dbraw/zinc/31/01/35/720310135.db2.gz LDUNVENYJUUZSG-MSOLQXFVSA-N 1 0 437.922 3.063 20 30 IGEDRO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834945 720505690 /nfs/dbraw/zinc/50/56/90/720505690.db2.gz IOUYQQGQMOBKHL-YQQAZPJKSA-N 1 0 431.997 3.298 20 30 IGEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164836681 720525165 /nfs/dbraw/zinc/52/51/65/720525165.db2.gz NLENPUTYJSUEAR-CNNODRBYSA-N 1 0 436.560 3.013 20 30 IGEDRO N#C[C@H](c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nn1)c1ccccc1F ZINC001164728643 720571439 /nfs/dbraw/zinc/57/14/39/720571439.db2.gz KPVWYQUNCNIGKX-FQEVSTJZSA-N 1 0 431.519 3.126 20 30 IGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745310 720856918 /nfs/dbraw/zinc/85/69/18/720856918.db2.gz DAYVOOPNGJXSBK-IIDMSEBBSA-N 1 0 432.359 3.231 20 30 IGEDRO C=CCOc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756614 720891858 /nfs/dbraw/zinc/89/18/58/720891858.db2.gz QXZJSGNVZBKWDY-ZEQKJWHPSA-N 1 0 449.599 3.500 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164761552 721078888 /nfs/dbraw/zinc/07/88/88/721078888.db2.gz BSFNGBMKMLITTF-UONOGXRCSA-N 1 0 441.313 3.497 20 30 IGEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C#N ZINC001164765714 721159764 /nfs/dbraw/zinc/15/97/64/721159764.db2.gz KGBOLOGACYRIGA-UXHICEINSA-N 1 0 445.596 3.429 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164883746 721419107 /nfs/dbraw/zinc/41/91/07/721419107.db2.gz BZKCJFOJAYCTHK-OFNKIYASSA-N 1 0 432.012 3.325 20 30 IGEDRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)C2 ZINC001164907865 721744776 /nfs/dbraw/zinc/74/47/76/721744776.db2.gz BVQNWOIXFMCYCV-UHFFFAOYSA-N 1 0 428.540 3.172 20 30 IGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164935759 721890209 /nfs/dbraw/zinc/89/02/09/721890209.db2.gz XEFIZOZMOVLICE-PMACEKPBSA-N 1 0 446.933 3.428 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971476 722109526 /nfs/dbraw/zinc/10/95/26/722109526.db2.gz CQJAQHLDRLQNPJ-QFBILLFUSA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164619800 719009496 /nfs/dbraw/zinc/00/94/96/719009496.db2.gz XBMIUXFAKZWLIA-MGPUTAFESA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C#N)cnc4cnc(Cl)cc43)CC2)CC1 ZINC001164613864 719022987 /nfs/dbraw/zinc/02/29/87/719022987.db2.gz IILJBVCIHQVSQO-UHFFFAOYSA-N 1 0 427.936 3.399 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC2)CC1 ZINC001164616997 719027214 /nfs/dbraw/zinc/02/72/14/719027214.db2.gz HQPIESVLTSJEGF-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(C#N)c2)c2c1CC[NH2+]C2 ZINC001164680984 719652568 /nfs/dbraw/zinc/65/25/68/719652568.db2.gz KPCODAYXBNVGQG-UHFFFAOYSA-N 1 0 437.935 3.466 20 30 IGEDRO COc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C#N ZINC001164681719 719664752 /nfs/dbraw/zinc/66/47/52/719664752.db2.gz QMGJASYGCHKSME-IBGZPJMESA-N 1 0 447.583 3.055 20 30 IGEDRO COc1cc(C#N)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164683110 719669921 /nfs/dbraw/zinc/66/99/21/719669921.db2.gz QSQWYYZOYLFXNJ-LJQANCHMSA-N 1 0 447.583 3.055 20 30 IGEDRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C=NO)c1 ZINC001164683501 719675381 /nfs/dbraw/zinc/67/53/81/719675381.db2.gz RYRIQOCYSIOJHO-FQEVSTJZSA-N 1 0 449.599 3.292 20 30 IGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)c(C#N)cc1F)CC2 ZINC001164714700 720138265 /nfs/dbraw/zinc/13/82/65/720138265.db2.gz YBEXWUUCWRDIBQ-IBGZPJMESA-N 1 0 425.508 3.003 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001164824482 720293144 /nfs/dbraw/zinc/29/31/44/720293144.db2.gz RCOYMMACODVUKR-IAGOWNOFSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001164829894 720320998 /nfs/dbraw/zinc/32/09/98/720320998.db2.gz OKUYBOGELGGRNB-SJORKVTESA-N 1 0 437.922 3.063 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742815 720815600 /nfs/dbraw/zinc/81/56/00/720815600.db2.gz QZRFLRARDCMEGS-HGHGUNKESA-N 1 0 448.962 3.126 20 30 IGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740753 720829177 /nfs/dbraw/zinc/82/91/77/720829177.db2.gz LEFMADGQJDKXPV-LZLYRXPVSA-N 1 0 432.359 3.231 20 30 IGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747041 720857889 /nfs/dbraw/zinc/85/78/89/720857889.db2.gz HNPWHYHBUDACQI-XPWALMASSA-N 1 0 434.664 3.281 20 30 IGEDRO N#Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750472 720878803 /nfs/dbraw/zinc/87/88/03/720878803.db2.gz JDGUGEGONFHDOB-CVDCTZTESA-N 1 0 438.963 3.152 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001164760074 721239523 /nfs/dbraw/zinc/23/95/23/721239523.db2.gz CDLPGDVVDYMWEB-RTBURBONSA-N 1 0 449.946 3.486 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001164760067 721239733 /nfs/dbraw/zinc/23/97/33/721239733.db2.gz CDLPGDVVDYMWEB-MOPGFXCFSA-N 1 0 449.946 3.486 20 30 IGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc(C#N)cc43)C2)C1 ZINC001164777796 721339652 /nfs/dbraw/zinc/33/96/52/721339652.db2.gz HXSSOFMOYYOKBP-XMMPIXPASA-N 1 0 432.528 3.225 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979304 722101727 /nfs/dbraw/zinc/10/17/27/722101727.db2.gz HXQCMRLTGIUMCO-ROUUACIJSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977299 722154081 /nfs/dbraw/zinc/15/40/81/722154081.db2.gz YLKMBEUGMBEJLU-MBSDFSHPSA-N 1 0 444.495 3.137 20 30 IGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164425066 718920063 /nfs/dbraw/zinc/92/00/63/718920063.db2.gz QXUKQEYQOIFPOF-OAQYLSRUSA-N 1 0 448.901 3.404 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(F)cc3C#N)CC2)c2ccccc21 ZINC001164680671 719660713 /nfs/dbraw/zinc/66/07/13/719660713.db2.gz HFKOWSTXAZQMQR-SFHVURJKSA-N 1 0 435.547 3.186 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164739281 720827461 /nfs/dbraw/zinc/82/74/61/720827461.db2.gz HXAIGPFLKUOQDN-ZYSHUDEJSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750477 720878423 /nfs/dbraw/zinc/87/84/23/720878423.db2.gz JDGUGEGONFHDOB-WMZHIEFXSA-N 1 0 438.963 3.152 20 30 IGEDRO N#Cc1ncc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754893 720878763 /nfs/dbraw/zinc/87/87/63/720878763.db2.gz ULTFBCRVKJZFRB-AUSIDOKSSA-N 1 0 438.963 3.152 20 30 IGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862584 721014141 /nfs/dbraw/zinc/01/41/41/721014141.db2.gz RIDCPBJQCZZEJQ-AEFFLSMTSA-N 1 0 439.564 3.043 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C#C[Si](C)(C)C)ccn4)C3)O2)CC1 ZINC001164888449 721449391 /nfs/dbraw/zinc/44/93/91/721449391.db2.gz MJSYSYCWVXJYAP-VWNXMTODSA-N 1 0 426.681 3.076 20 30 IGEDRO N#CC1(c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2)CCOCC1 ZINC001164960653 722059011 /nfs/dbraw/zinc/05/90/11/722059011.db2.gz GBLFCVVUMAEPEE-UHFFFAOYSA-N 1 0 447.583 3.167 20 30 IGEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cc1 ZINC001164999913 722251037 /nfs/dbraw/zinc/25/10/37/722251037.db2.gz IWONBSHOVJCJEA-OAQYLSRUSA-N 1 0 445.571 3.126 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(F)c3C#N)CC2)c2ccccc21 ZINC001164685558 719672396 /nfs/dbraw/zinc/67/23/96/719672396.db2.gz VJAQNFRQWLBQMQ-GOSISDBHSA-N 1 0 435.547 3.186 20 30 IGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C)c1C#N)CC2 ZINC001164715548 720120561 /nfs/dbraw/zinc/12/05/61/720120561.db2.gz HVQMUGLZLFQCGY-GOSISDBHSA-N 1 0 426.952 3.213 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)C2 ZINC001164810511 720147779 /nfs/dbraw/zinc/14/77/79/720147779.db2.gz JYBMTXAXQZWSSC-MHECFPHRSA-N 1 0 425.577 3.123 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001164829888 720321195 /nfs/dbraw/zinc/32/11/95/720321195.db2.gz OKUYBOGELGGRNB-IAGOWNOFSA-N 1 0 437.922 3.063 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164829448 720324414 /nfs/dbraw/zinc/32/44/14/720324414.db2.gz MBJWQYAZSKAQAU-UXHICEINSA-N 1 0 429.996 3.471 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164749284 720812065 /nfs/dbraw/zinc/81/20/65/720812065.db2.gz SYBKQYMVTOHCHX-OKZBNKHCSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745600 720822117 /nfs/dbraw/zinc/82/21/17/720822117.db2.gz XCNIQRZYSPLTSX-JTDSTZFVSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164738346 720829577 /nfs/dbraw/zinc/82/95/77/720829577.db2.gz DWUQWZJHPBGCNY-BHIYHBOVSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1Cl ZINC001164753090 720855670 /nfs/dbraw/zinc/85/56/70/720855670.db2.gz WNOHKUJGEXHDEZ-QMTMVMCOSA-N 1 0 432.359 3.231 20 30 IGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745309 720856962 /nfs/dbraw/zinc/85/69/62/720856962.db2.gz DAYVOOPNGJXSBK-HDMKZQKVSA-N 1 0 432.359 3.231 20 30 IGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164795873 721523069 /nfs/dbraw/zinc/52/30/69/721523069.db2.gz UANIBZJNEJEAGE-UHFFFAOYSA-N 1 0 435.963 3.032 20 30 IGEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962021 722023316 /nfs/dbraw/zinc/02/33/16/722023316.db2.gz OCXZUHOMSSDCSS-FQEVSTJZSA-N 1 0 448.571 3.313 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164618707 719007709 /nfs/dbraw/zinc/00/77/09/719007709.db2.gz SJCITLMDPHJMRZ-JXFKEZNVSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)CC1 ZINC001164616375 719027517 /nfs/dbraw/zinc/02/75/17/719027517.db2.gz CJFKTHLUVDMYOT-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO COc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C#N ZINC001164681727 719665153 /nfs/dbraw/zinc/66/51/53/719665153.db2.gz QMGJASYGCHKSME-LJQANCHMSA-N 1 0 447.583 3.055 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)C2 ZINC001164816505 720137040 /nfs/dbraw/zinc/13/70/40/720137040.db2.gz ZQHIXGKXQHLXAG-HWHXTQLESA-N 1 0 435.547 3.456 20 30 IGEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3cccs3)ccc1C#N)CCC2 ZINC001164812218 720238517 /nfs/dbraw/zinc/23/85/17/720238517.db2.gz DHQFRBHHSHSQQL-UHFFFAOYSA-N 1 0 434.569 3.489 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001164830061 720321506 /nfs/dbraw/zinc/32/15/06/720321506.db2.gz OMCCXGZDNOKQNC-IRXDYDNUSA-N 1 0 437.922 3.063 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164829449 720324635 /nfs/dbraw/zinc/32/46/35/720324635.db2.gz MBJWQYAZSKAQAU-VQTJNVASSA-N 1 0 429.996 3.471 20 30 IGEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745371 720807484 /nfs/dbraw/zinc/80/74/84/720807484.db2.gz KFQCNUBGMCCVMN-CHWSQXEVSA-N 1 0 442.857 3.170 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164739277 720827233 /nfs/dbraw/zinc/82/72/33/720827233.db2.gz HXAIGPFLKUOQDN-AYOQOUSVSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750481 720878615 /nfs/dbraw/zinc/87/86/15/720878615.db2.gz JDGUGEGONFHDOB-XXBNENTESA-N 1 0 438.963 3.152 20 30 IGEDRO N#Cc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749108 720879117 /nfs/dbraw/zinc/87/91/17/720879117.db2.gz GTUVKLJGAWHAFZ-NFBKMPQASA-N 1 0 438.963 3.152 20 30 IGEDRO N#Cc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749114 720879261 /nfs/dbraw/zinc/87/92/61/720879261.db2.gz GTUVKLJGAWHAFZ-REWPJTCUSA-N 1 0 438.963 3.152 20 30 IGEDRO C=CCOc1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756613 720891761 /nfs/dbraw/zinc/89/17/61/720891761.db2.gz QXZJSGNVZBKWDY-OZXSUGGESA-N 1 0 449.599 3.500 20 30 IGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4ccc(F)c(C)c43)CC[C@H]2C1 ZINC001164860909 720893614 /nfs/dbraw/zinc/89/36/14/720893614.db2.gz VZIGIUCESQZSEO-KXBFYZLASA-N 1 0 432.927 3.381 20 30 IGEDRO N#C[C@H](c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164863360 721108537 /nfs/dbraw/zinc/10/85/37/721108537.db2.gz CEGUURKEBGDLQL-VWPQPMDRSA-N 1 0 444.514 3.146 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001164760069 721240156 /nfs/dbraw/zinc/24/01/56/721240156.db2.gz CDLPGDVVDYMWEB-OALUTQOASA-N 1 0 449.946 3.486 20 30 IGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(C)c1C#N)CC2 ZINC001164784796 721460443 /nfs/dbraw/zinc/46/04/43/721460443.db2.gz KHLHOAJIWMVQLG-GOSISDBHSA-N 1 0 433.984 3.044 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899252 721524125 /nfs/dbraw/zinc/52/41/25/721524125.db2.gz KSYGZSYUCAXCCY-FUHWJXTLSA-N 1 0 444.894 3.264 20 30 IGEDRO C=CCNC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904170 721724914 /nfs/dbraw/zinc/72/49/14/721724914.db2.gz AJWBURVTZMSTHW-QFIPXVFZSA-N 1 0 427.499 3.130 20 30 IGEDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccccc2)C1 ZINC001165035962 721896007 /nfs/dbraw/zinc/89/60/07/721896007.db2.gz QNKKNLWQMYTWKR-DYESRHJHSA-N 1 0 435.553 3.199 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971477 722109783 /nfs/dbraw/zinc/10/97/83/722109783.db2.gz CQJAQHLDRLQNPJ-VQIMIIECSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164425065 718919827 /nfs/dbraw/zinc/91/98/27/718919827.db2.gz QXUKQEYQOIFPOF-NRFANRHFSA-N 1 0 448.901 3.404 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164613960 719008918 /nfs/dbraw/zinc/00/89/18/719008918.db2.gz ARYYPJZGXRGKBB-OXJNMPFZSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164614119 719010100 /nfs/dbraw/zinc/01/01/00/719010100.db2.gz CNWPUGBZAHJUFF-JXFKEZNVSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)CC1 ZINC001164618578 719027504 /nfs/dbraw/zinc/02/75/04/719027504.db2.gz ZAPYZGURIMBRHD-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2C#N)c2c1CC[NH2+]C2 ZINC001164684620 719652287 /nfs/dbraw/zinc/65/22/87/719652287.db2.gz YIFYFXQCUORIDP-UHFFFAOYSA-N 1 0 437.935 3.466 20 30 IGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)C1 ZINC001164729466 720516521 /nfs/dbraw/zinc/51/65/21/720516521.db2.gz ODJBQRLTSGLUQZ-AWEZNQCLSA-N 1 0 425.899 3.202 20 30 IGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164747289 720807406 /nfs/dbraw/zinc/80/74/06/720807406.db2.gz MZKDOBFDQUDVAB-LSDHHAIUSA-N 1 0 438.894 3.339 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745599 720822217 /nfs/dbraw/zinc/82/22/17/720822217.db2.gz XCNIQRZYSPLTSX-GPMSIDNRSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164738349 720830120 /nfs/dbraw/zinc/83/01/20/720830120.db2.gz DWUQWZJHPBGCNY-YTQUADARSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164737381 720831486 /nfs/dbraw/zinc/83/14/86/720831486.db2.gz APCJPVCEALBJOX-RCCFBDPRSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1ncc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754898 720879231 /nfs/dbraw/zinc/87/92/31/720879231.db2.gz ULTFBCRVKJZFRB-WMZHIEFXSA-N 1 0 438.963 3.152 20 30 IGEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164861867 721003923 /nfs/dbraw/zinc/00/39/23/721003923.db2.gz QZSXSNQTSXHTTQ-SJLPKXTDSA-N 1 0 447.543 3.028 20 30 IGEDRO N#C[C@H](c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164863356 721108165 /nfs/dbraw/zinc/10/81/65/721108165.db2.gz CEGUURKEBGDLQL-SJBKTWHCSA-N 1 0 444.514 3.146 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5cccs5)ccc4C#N)C3)O2)CC1 ZINC001164894897 721436660 /nfs/dbraw/zinc/43/66/60/721436660.db2.gz NACNIIUNMVATAZ-HYBUGGRVSA-N 1 0 437.613 3.447 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C#C[Si](C)(C)C)ccn4)C3)O2)CC1 ZINC001164888444 721448582 /nfs/dbraw/zinc/44/85/82/721448582.db2.gz MJSYSYCWVXJYAP-LADGPHEKSA-N 1 0 426.681 3.076 20 30 IGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164935762 721890128 /nfs/dbraw/zinc/89/01/28/721890128.db2.gz XEFIZOZMOVLICE-UXHICEINSA-N 1 0 446.933 3.428 20 30 IGEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962022 722023203 /nfs/dbraw/zinc/02/32/03/722023203.db2.gz OCXZUHOMSSDCSS-HXUWFJFHSA-N 1 0 448.571 3.313 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423675 718944225 /nfs/dbraw/zinc/94/42/25/718944225.db2.gz JFTGILDIMPSPHI-SJORKVTESA-N 1 0 432.858 3.404 20 30 IGEDRO Cc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C#N ZINC001164686086 719666520 /nfs/dbraw/zinc/66/65/20/719666520.db2.gz WOCHOKDRDPXZOO-FQEVSTJZSA-N 1 0 431.584 3.355 20 30 IGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C)c1C#N)CC2 ZINC001164715550 720120062 /nfs/dbraw/zinc/12/00/62/720120062.db2.gz HVQMUGLZLFQCGY-SFHVURJKSA-N 1 0 426.952 3.213 20 30 IGEDRO Cc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(C#C[Si](C)(C)C)c1 ZINC001164812348 720232042 /nfs/dbraw/zinc/23/20/42/720232042.db2.gz GCLKBGMFHKHZQU-UHFFFAOYSA-N 1 0 437.664 3.426 20 30 IGEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)cc1 ZINC001164733057 720553272 /nfs/dbraw/zinc/55/32/72/720553272.db2.gz IUJWZUPLZQGWKZ-JOCHJYFZSA-N 1 0 427.556 3.296 20 30 IGEDRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N ZINC001164753355 720869580 /nfs/dbraw/zinc/86/95/80/720869580.db2.gz PDYRWMPUNZPOFG-RDGATRHJSA-N 1 0 433.556 3.112 20 30 IGEDRO N#Cc1ncc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754901 720879285 /nfs/dbraw/zinc/87/92/85/720879285.db2.gz ULTFBCRVKJZFRB-XXBNENTESA-N 1 0 438.963 3.152 20 30 IGEDRO COc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164758486 720884450 /nfs/dbraw/zinc/88/44/50/720884450.db2.gz YMCNYUSVMUODOO-SQJMNOBHSA-N 1 0 433.556 3.112 20 30 IGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc(C#N)cc43)C2)C1 ZINC001164777794 721339141 /nfs/dbraw/zinc/33/91/41/721339141.db2.gz HXSSOFMOYYOKBP-DEOSSOPVSA-N 1 0 432.528 3.225 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164883739 721418986 /nfs/dbraw/zinc/41/89/86/721418986.db2.gz BZKCJFOJAYCTHK-NFBKMPQASA-N 1 0 432.012 3.325 20 30 IGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(C)c1C#N)CC2 ZINC001164784800 721460475 /nfs/dbraw/zinc/46/04/75/721460475.db2.gz KHLHOAJIWMVQLG-SFHVURJKSA-N 1 0 433.984 3.044 20 30 IGEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164910954 721564503 /nfs/dbraw/zinc/56/45/03/721564503.db2.gz XSLHSQVVLIIVCK-AZUAARDMSA-N 1 0 433.443 3.496 20 30 IGEDRO C=CCNC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904165 721724349 /nfs/dbraw/zinc/72/43/49/721724349.db2.gz AJWBURVTZMSTHW-JOCHJYFZSA-N 1 0 427.499 3.130 20 30 IGEDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccccc2)C1 ZINC001165035969 721896094 /nfs/dbraw/zinc/89/60/94/721896094.db2.gz QNKKNLWQMYTWKR-UWJYYQICSA-N 1 0 435.553 3.199 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984044 722104633 /nfs/dbraw/zinc/10/46/33/722104633.db2.gz RNSVGFBIORPDRN-UTKZUKDTSA-N 1 0 434.931 3.277 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164617043 719008829 /nfs/dbraw/zinc/00/88/29/719008829.db2.gz LTJRSZNHRMOKIJ-JXFKEZNVSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164616670 719009564 /nfs/dbraw/zinc/00/95/64/719009564.db2.gz LGPVVABEMSMWAL-OXJNMPFZSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614650 719023791 /nfs/dbraw/zinc/02/37/91/719023791.db2.gz WEXZCWDSKWUMCT-UHFFFAOYSA-N 1 0 448.951 3.027 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)CC1 ZINC001164618458 719030122 /nfs/dbraw/zinc/03/01/22/719030122.db2.gz XDBSTQNMJMNUBN-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)C2 ZINC001164811546 720134992 /nfs/dbraw/zinc/13/49/92/720134992.db2.gz MDHYQUGBMNGCIQ-MGPUTAFESA-N 1 0 440.922 3.345 20 30 IGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)C2 ZINC001164811547 720135754 /nfs/dbraw/zinc/13/57/54/720135754.db2.gz MDHYQUGBMNGCIQ-QRWLVFNGSA-N 1 0 440.922 3.345 20 30 IGEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(cc1C#N)CCCC3(C)C)CCC2 ZINC001164818376 720245848 /nfs/dbraw/zinc/24/58/48/720245848.db2.gz YXKYSVDIJNYWDF-UHFFFAOYSA-N 1 0 434.588 3.374 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(C#N)cnc3cnc(Cl)cc32)CC1 ZINC001164825763 720300630 /nfs/dbraw/zinc/30/06/30/720300630.db2.gz TXFLEUKMGRZZJG-VQTJNVASSA-N 1 0 438.963 3.066 20 30 IGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723609 720407479 /nfs/dbraw/zinc/40/74/79/720407479.db2.gz HAQYLXHUVHKDLZ-LEWJYISDSA-N 1 0 434.616 3.345 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164749282 720812305 /nfs/dbraw/zinc/81/23/05/720812305.db2.gz SYBKQYMVTOHCHX-KZNAEPCWSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164737380 720831270 /nfs/dbraw/zinc/83/12/70/720831270.db2.gz APCJPVCEALBJOX-OKZBNKHCSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745314 720856905 /nfs/dbraw/zinc/85/69/05/720856905.db2.gz DAYVOOPNGJXSBK-RVKKMQEKSA-N 1 0 432.359 3.231 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001164759437 721240134 /nfs/dbraw/zinc/24/01/34/721240134.db2.gz AHMYJYOKIXBSRD-OALUTQOASA-N 1 0 449.946 3.486 20 30 IGEDRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893746 721426685 /nfs/dbraw/zinc/42/66/85/721426685.db2.gz KERCKHSCMLXRQR-UKILVPOCSA-N 1 0 440.708 3.384 20 30 IGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164786016 721450344 /nfs/dbraw/zinc/45/03/44/721450344.db2.gz MAGRJSFNIJZYEX-SFHVURJKSA-N 1 0 436.959 3.480 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCCC5(C)C)C3)O2)CC1 ZINC001164892759 721451241 /nfs/dbraw/zinc/45/12/41/721451241.db2.gz XWNKLQNGSQPYJX-ATIYNZHBSA-N 1 0 437.632 3.333 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899264 721524486 /nfs/dbraw/zinc/52/44/86/721524486.db2.gz KSYGZSYUCAXCCY-WMZOPIPTSA-N 1 0 444.894 3.264 20 30 IGEDRO N#Cc1nc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164906440 721705688 /nfs/dbraw/zinc/70/56/88/721705688.db2.gz LYANGAVUZXHRLM-IBGZPJMESA-N 1 0 429.862 3.006 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164975681 722115862 /nfs/dbraw/zinc/11/58/62/722115862.db2.gz KGRSXMSKWSBAAG-LPHOPBHVSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971879 722121367 /nfs/dbraw/zinc/12/13/67/722121367.db2.gz CYXRLQZVAUZYLU-QZTJIDSGSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979596 722138188 /nfs/dbraw/zinc/13/81/88/722138188.db2.gz LMEILJQFIOFZGI-ISKFKSNPSA-N 1 0 426.524 3.138 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)C2 ZINC001164816507 720138511 /nfs/dbraw/zinc/13/85/11/720138511.db2.gz ZQHIXGKXQHLXAG-PIBDYAPNSA-N 1 0 435.547 3.456 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001164825926 720354117 /nfs/dbraw/zinc/35/41/17/720354117.db2.gz KACOUIYYZRSWRJ-FCHUYYIVSA-N 1 0 435.616 3.479 20 30 IGEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745388 720807584 /nfs/dbraw/zinc/80/75/84/720807584.db2.gz KFQCNUBGMCCVMN-QWHCGFSZSA-N 1 0 442.857 3.170 20 30 IGEDRO N#Cc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749110 720879503 /nfs/dbraw/zinc/87/95/03/720879503.db2.gz GTUVKLJGAWHAFZ-NZQKXSOJSA-N 1 0 438.963 3.152 20 30 IGEDRO COc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164758484 720883918 /nfs/dbraw/zinc/88/39/18/720883918.db2.gz YMCNYUSVMUODOO-OFVILXPXSA-N 1 0 433.556 3.112 20 30 IGEDRO C=CCOc1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756611 720890907 /nfs/dbraw/zinc/89/09/07/720890907.db2.gz QXZJSGNVZBKWDY-BVAGGSTKSA-N 1 0 449.599 3.500 20 30 IGEDRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C=NO)c1 ZINC001164755609 720900886 /nfs/dbraw/zinc/90/08/86/720900886.db2.gz MERXJKWCAOIISG-ILBGXUMGSA-N 1 0 435.572 3.348 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975496 722103317 /nfs/dbraw/zinc/10/33/17/722103317.db2.gz CAHVZDYLRKRHMJ-VQIMIIECSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971880 722121176 /nfs/dbraw/zinc/12/11/76/722121176.db2.gz CYXRLQZVAUZYLU-ROUUACIJSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981046 722121408 /nfs/dbraw/zinc/12/14/08/722121408.db2.gz SFFPPSQKZVJCJY-MSOLQXFVSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984627 722133543 /nfs/dbraw/zinc/13/35/43/722133543.db2.gz YAGVEYVMUGMKJU-APWZRJJASA-N 1 0 433.890 3.274 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)C2 ZINC001164810513 720148142 /nfs/dbraw/zinc/14/81/42/720148142.db2.gz JYBMTXAXQZWSSC-UUOWRZLLSA-N 1 0 425.577 3.123 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001164823961 720320992 /nfs/dbraw/zinc/32/09/92/720320992.db2.gz CELYQWRBLKCJLV-MSOLQXFVSA-N 1 0 437.922 3.063 20 30 IGEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c(C)c1Cl ZINC001164748690 720812195 /nfs/dbraw/zinc/81/21/95/720812195.db2.gz QYRGZQXEMIZNDV-QWFCFKBJSA-N 1 0 425.968 3.194 20 30 IGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)[C@H]2C ZINC001164862604 721014496 /nfs/dbraw/zinc/01/44/96/721014496.db2.gz RIDCPBJQCZZEJQ-WMZOPIPTSA-N 1 0 439.564 3.043 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164867961 721051492 /nfs/dbraw/zinc/05/14/92/721051492.db2.gz LKGMUBGRIMTXBM-VXNXHJTFSA-N 1 0 440.551 3.315 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164767398 721082201 /nfs/dbraw/zinc/08/22/01/721082201.db2.gz LQNZOYFVAKVDQC-VABKMULXSA-N 1 0 427.556 3.132 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4C#C[Si](C)(C)C)C3)O2)CC1 ZINC001164883571 721422594 /nfs/dbraw/zinc/42/25/94/721422594.db2.gz AWSWCWNWSONWPR-ISKFKSNPSA-N 1 0 426.681 3.076 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCCC5(C)C)C3)O2)CC1 ZINC001164892760 721450979 /nfs/dbraw/zinc/45/09/79/721450979.db2.gz XWNKLQNGSQPYJX-BKMJKUGQSA-N 1 0 437.632 3.333 20 30 IGEDRO CN(Cc1ccc(C#N)cc1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165017717 721837212 /nfs/dbraw/zinc/83/72/12/721837212.db2.gz OISQTBUTDOOPMU-HXUWFJFHSA-N 1 0 435.572 3.388 20 30 IGEDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccccc2)C1 ZINC001165035965 721895997 /nfs/dbraw/zinc/89/59/97/721895997.db2.gz QNKKNLWQMYTWKR-LAUBAEHRSA-N 1 0 435.553 3.199 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164614067 719009187 /nfs/dbraw/zinc/00/91/87/719009187.db2.gz BUQHFMXMNQFNRA-YWZLYKJASA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)CC1 ZINC001164618675 719027567 /nfs/dbraw/zinc/02/75/67/719027567.db2.gz ZPRQCEXJJBHWOB-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(F)c3C#N)CC2)c2ccccc21 ZINC001164685563 719672683 /nfs/dbraw/zinc/67/26/83/719672683.db2.gz VJAQNFRQWLBQMQ-SFHVURJKSA-N 1 0 435.547 3.186 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001164833947 720316664 /nfs/dbraw/zinc/31/66/64/720316664.db2.gz YFQULSBORBZSFK-QZTJIDSGSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001164829885 720321093 /nfs/dbraw/zinc/32/10/93/720321093.db2.gz OKUYBOGELGGRNB-DLBZAZTESA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001164830066 720321682 /nfs/dbraw/zinc/32/16/82/720321682.db2.gz OMCCXGZDNOKQNC-SJORKVTESA-N 1 0 437.922 3.063 20 30 IGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723619 720407697 /nfs/dbraw/zinc/40/76/97/720407697.db2.gz HAQYLXHUVHKDLZ-NHCUHLMSSA-N 1 0 434.616 3.345 20 30 IGEDRO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834943 720506026 /nfs/dbraw/zinc/50/60/26/720506026.db2.gz IOUYQQGQMOBKHL-HLLBOEOZSA-N 1 0 431.997 3.298 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744236 720814313 /nfs/dbraw/zinc/81/43/13/720814313.db2.gz IESNKTZBCMNHBU-JTDSTZFVSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740754 720829135 /nfs/dbraw/zinc/82/91/35/720829135.db2.gz LEFMADGQJDKXPV-SOLBZPMBSA-N 1 0 432.359 3.231 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859375 720943544 /nfs/dbraw/zinc/94/35/44/720943544.db2.gz NJCASSMCDBGBSP-AWEZNQCLSA-N 1 0 430.940 3.401 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164867959 721051363 /nfs/dbraw/zinc/05/13/63/721051363.db2.gz LKGMUBGRIMTXBM-SGNDLWITSA-N 1 0 440.551 3.315 20 30 IGEDRO N#C[C@H](c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164863353 721109174 /nfs/dbraw/zinc/10/91/74/721109174.db2.gz CEGUURKEBGDLQL-ONTIZHBOSA-N 1 0 444.514 3.146 20 30 IGEDRO N#Cc1cc2c(nc1N1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCOC2 ZINC001164913997 721731314 /nfs/dbraw/zinc/73/13/14/721731314.db2.gz ZWJQOHKGXLJOAA-QFIPXVFZSA-N 1 0 425.483 3.159 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979300 722101739 /nfs/dbraw/zinc/10/17/39/722101739.db2.gz HXQCMRLTGIUMCO-MSOLQXFVSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975495 722103397 /nfs/dbraw/zinc/10/33/97/722103397.db2.gz CAHVZDYLRKRHMJ-QFBILLFUSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977242 722154206 /nfs/dbraw/zinc/15/42/06/722154206.db2.gz YLKMBEUGMBEJLU-FDDCHVKYSA-N 1 0 444.495 3.137 20 30 IGEDRO Cc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C#C[Si](C)(C)C)c1 ZINC001165002196 722255110 /nfs/dbraw/zinc/25/51/10/722255110.db2.gz LFDUMHMXEPMLCJ-UHFFFAOYSA-N 1 0 425.653 3.304 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164616665 719009350 /nfs/dbraw/zinc/00/93/50/719009350.db2.gz LGPVVABEMSMWAL-JXFKEZNVSA-N 1 0 438.906 3.301 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C#N)c2)CC1 ZINC001164823915 720319663 /nfs/dbraw/zinc/31/96/63/720319663.db2.gz BRKTZVLFIWLSTP-ZWKOTPCHSA-N 1 0 437.922 3.063 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164829447 720324626 /nfs/dbraw/zinc/32/46/26/720324626.db2.gz MBJWQYAZSKAQAU-PMACEKPBSA-N 1 0 429.996 3.471 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742795 720815750 /nfs/dbraw/zinc/81/57/50/720815750.db2.gz QZRFLRARDCMEGS-DJPFJPOOSA-N 1 0 448.962 3.126 20 30 IGEDRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N ZINC001164753349 720869912 /nfs/dbraw/zinc/86/99/12/720869912.db2.gz PDYRWMPUNZPOFG-DHLKQENFSA-N 1 0 433.556 3.112 20 30 IGEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753351 720889219 /nfs/dbraw/zinc/88/92/19/720889219.db2.gz GREHDZVJRMBNBO-YKSBVNFPSA-N 1 0 448.527 3.012 20 30 IGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862602 721013766 /nfs/dbraw/zinc/01/37/66/721013766.db2.gz RIDCPBJQCZZEJQ-SJLPKXTDSA-N 1 0 439.564 3.043 20 30 IGEDRO CSc1nc(-c2ccccc2)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164765720 721160526 /nfs/dbraw/zinc/16/05/26/721160526.db2.gz KGBOLOGACYRIGA-WOJBJXKFSA-N 1 0 445.596 3.429 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCCC5(C)C)C3)O2)CC1 ZINC001164892761 721451213 /nfs/dbraw/zinc/45/12/13/721451213.db2.gz XWNKLQNGSQPYJX-GJZUVCINSA-N 1 0 437.632 3.333 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164618711 719007568 /nfs/dbraw/zinc/00/75/68/719007568.db2.gz SJCITLMDPHJMRZ-UZLBHIALSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164617426 719008280 /nfs/dbraw/zinc/00/82/80/719008280.db2.gz ODVGIPPLVXOIRA-JXFKEZNVSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)CC1 ZINC001164614277 719022315 /nfs/dbraw/zinc/02/23/15/719022315.db2.gz QVJGMRRNJRCETP-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO CC(C)N(C)Cc1nn(-c2ccc(COc3ccc(CC#N)cc3)cn2)c2c1CC[NH2+]C2 ZINC001164680157 719640020 /nfs/dbraw/zinc/64/00/20/719640020.db2.gz QJIQROUSUQTTJG-UHFFFAOYSA-N 1 0 430.556 3.398 20 30 IGEDRO Cn1nnc2c1CCN(c1nc(-c3cccs3)ccc1C#N)[C@H]2COCC[NH+]1CCCC1 ZINC001164717166 720197607 /nfs/dbraw/zinc/19/76/07/720197607.db2.gz TYZPIAWNZKAERJ-FQEVSTJZSA-N 1 0 449.584 3.026 20 30 IGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164747285 720807677 /nfs/dbraw/zinc/80/76/77/720807677.db2.gz MZKDOBFDQUDVAB-HUUCEWRRSA-N 1 0 438.894 3.339 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742825 720815660 /nfs/dbraw/zinc/81/56/60/720815660.db2.gz QZRFLRARDCMEGS-YRISNDGFSA-N 1 0 448.962 3.126 20 30 IGEDRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N ZINC001164753352 720869501 /nfs/dbraw/zinc/86/95/01/720869501.db2.gz PDYRWMPUNZPOFG-RCZVLFRGSA-N 1 0 433.556 3.112 20 30 IGEDRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N ZINC001164753358 720869514 /nfs/dbraw/zinc/86/95/14/720869514.db2.gz PDYRWMPUNZPOFG-WIOPSUGQSA-N 1 0 433.556 3.112 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001164759439 721239672 /nfs/dbraw/zinc/23/96/72/721239672.db2.gz AHMYJYOKIXBSRD-RBUKOAKNSA-N 1 0 449.946 3.486 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4C#C[Si](C)(C)C)C3)O2)CC1 ZINC001164883575 721422657 /nfs/dbraw/zinc/42/26/57/721422657.db2.gz AWSWCWNWSONWPR-VWNXMTODSA-N 1 0 426.681 3.076 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C#C[Si](C)(C)C)C3)O2)CC1 ZINC001164883574 721422997 /nfs/dbraw/zinc/42/29/97/721422997.db2.gz AWSWCWNWSONWPR-UPVQGACJSA-N 1 0 426.681 3.076 20 30 IGEDRO CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900666 721522601 /nfs/dbraw/zinc/52/26/01/721522601.db2.gz SQCOKQNACAWQGD-UKRRQHHQSA-N 1 0 437.928 3.141 20 30 IGEDRO CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900664 721523098 /nfs/dbraw/zinc/52/30/98/721523098.db2.gz SQCOKQNACAWQGD-DZGCQCFKSA-N 1 0 437.928 3.141 20 30 IGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)cnc3cnc(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164809979 721534915 /nfs/dbraw/zinc/53/49/15/721534915.db2.gz VXSCQQYIBVVWMC-VIZSFHNOSA-N 1 0 434.931 3.418 20 30 IGEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001165013283 721750710 /nfs/dbraw/zinc/75/07/10/721750710.db2.gz WROZGIUEVHUKLR-UHFFFAOYSA-N 1 0 429.927 3.422 20 30 IGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164934710 721890305 /nfs/dbraw/zinc/89/03/05/721890305.db2.gz SGLRMIDHTNCEDQ-UXHICEINSA-N 1 0 446.933 3.428 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975493 722103613 /nfs/dbraw/zinc/10/36/13/722103613.db2.gz CAHVZDYLRKRHMJ-APWZRJJASA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164970862 722119752 /nfs/dbraw/zinc/11/97/52/722119752.db2.gz ACCJWJFGIYTBSW-APWZRJJASA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164616674 719009461 /nfs/dbraw/zinc/00/94/61/719009461.db2.gz LGPVVABEMSMWAL-OXQOHEQNSA-N 1 0 438.906 3.301 20 30 IGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C#N)cc31)CC2 ZINC001164710053 720102326 /nfs/dbraw/zinc/10/23/26/720102326.db2.gz GHOAQOWFTKVPMW-NRFANRHFSA-N 1 0 428.540 3.404 20 30 IGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164747281 720807429 /nfs/dbraw/zinc/80/74/29/720807429.db2.gz MZKDOBFDQUDVAB-GJZGRUSLSA-N 1 0 438.894 3.339 20 30 IGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164855340 720893633 /nfs/dbraw/zinc/89/36/33/720893633.db2.gz BHNKRHYNTTWRLF-BFUOFWGJSA-N 1 0 436.890 3.212 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164889969 721393757 /nfs/dbraw/zinc/39/37/57/721393757.db2.gz NCEJYULHUUCSOY-IERDGZPVSA-N 1 0 438.403 3.334 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984029 722104562 /nfs/dbraw/zinc/10/45/62/722104562.db2.gz RNSVGFBIORPDRN-DYESRHJHSA-N 1 0 434.931 3.277 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981051 722121158 /nfs/dbraw/zinc/12/11/58/722121158.db2.gz SFFPPSQKZVJCJY-ROUUACIJSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972446 722121662 /nfs/dbraw/zinc/12/16/62/722121662.db2.gz FOMLNKXTZFJZRQ-VQIMIIECSA-N 1 0 433.890 3.274 20 30 IGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985442 722133028 /nfs/dbraw/zinc/13/30/28/722133028.db2.gz ZMRGUDKPBRVHLZ-DENIHFKCSA-N 1 0 448.571 3.060 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164617049 719008825 /nfs/dbraw/zinc/00/88/25/719008825.db2.gz LTJRSZNHRMOKIJ-OXQOHEQNSA-N 1 0 438.906 3.301 20 30 IGEDRO CSc1nc(-c2ccccc2)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164683115 719629230 /nfs/dbraw/zinc/62/92/30/719629230.db2.gz QUNVMPHKJNVLJQ-UHFFFAOYSA-N 1 0 433.585 3.409 20 30 IGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(C#N)cc1C#N)CC2 ZINC001164717369 720116852 /nfs/dbraw/zinc/11/68/52/720116852.db2.gz NVBYZGFRGSSHBR-HXUWFJFHSA-N 1 0 436.947 3.381 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(C#N)cnc3cnc(Cl)cc32)CC1 ZINC001164825770 720300606 /nfs/dbraw/zinc/30/06/06/720300606.db2.gz TXFLEUKMGRZZJG-WOJBJXKFSA-N 1 0 438.963 3.066 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744235 720814423 /nfs/dbraw/zinc/81/44/23/720814423.db2.gz IESNKTZBCMNHBU-GPMSIDNRSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744237 720814603 /nfs/dbraw/zinc/81/46/03/720814603.db2.gz IESNKTZBCMNHBU-TXPKVOOTSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739269 720831523 /nfs/dbraw/zinc/83/15/23/720831523.db2.gz HWTDMXTYRKJMSN-VDZJLULYSA-N 1 0 447.921 3.122 20 30 IGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747033 720857408 /nfs/dbraw/zinc/85/74/08/720857408.db2.gz HNPWHYHBUDACQI-DNVJHFABSA-N 1 0 434.664 3.281 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(COc5ccc(CC#N)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164767738 721204867 /nfs/dbraw/zinc/20/48/67/721204867.db2.gz KLJOLINASOEKLT-RPWUZVMVSA-N 1 0 442.567 3.418 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164889973 721393809 /nfs/dbraw/zinc/39/38/09/721393809.db2.gz NCEJYULHUUCSOY-IIBYNOLFSA-N 1 0 438.403 3.334 20 30 IGEDRO CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900667 721522891 /nfs/dbraw/zinc/52/28/91/721522891.db2.gz SQCOKQNACAWQGD-ZFWWWQNUSA-N 1 0 437.928 3.141 20 30 IGEDRO Cc1ccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c(C#N)c(Cl)c2c1 ZINC001164795109 721523293 /nfs/dbraw/zinc/52/32/93/721523293.db2.gz JIWHMQAJGNRYBQ-UHFFFAOYSA-N 1 0 435.963 3.032 20 30 IGEDRO CN(Cc1ccc(C#N)cc1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165017715 721837054 /nfs/dbraw/zinc/83/70/54/721837054.db2.gz OISQTBUTDOOPMU-FQEVSTJZSA-N 1 0 435.572 3.388 20 30 IGEDRO CN(CC1CC[NH+](C)CC1)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 ZINC001165042104 721937183 /nfs/dbraw/zinc/93/71/83/721937183.db2.gz FZAJNHZMKCKOKO-QFIPXVFZSA-N 1 0 449.580 3.446 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164620271 719006908 /nfs/dbraw/zinc/00/69/08/719006908.db2.gz YCHODEIYYMVPJW-YWZLYKJASA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164617045 719009025 /nfs/dbraw/zinc/00/90/25/719009025.db2.gz LTJRSZNHRMOKIJ-OXJNMPFZSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164619809 719009640 /nfs/dbraw/zinc/00/96/40/719009640.db2.gz XBMIUXFAKZWLIA-YWZLYKJASA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164614124 719009755 /nfs/dbraw/zinc/00/97/55/719009755.db2.gz CNWPUGBZAHJUFF-OXQOHEQNSA-N 1 0 438.906 3.301 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2C#N)CC1 ZINC001164818573 720298001 /nfs/dbraw/zinc/29/80/01/720298001.db2.gz AHRPCFHKIFRONT-ZWKOTPCHSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(C#N)cnc3cnc(Cl)cc32)CC1 ZINC001164825759 720300105 /nfs/dbraw/zinc/30/01/05/720300105.db2.gz TXFLEUKMGRZZJG-UXHICEINSA-N 1 0 438.963 3.066 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826609 720303672 /nfs/dbraw/zinc/30/36/72/720303672.db2.gz VWVNYHINAQWPDF-SJORKVTESA-N 1 0 436.387 3.480 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164739275 720827393 /nfs/dbraw/zinc/82/73/93/720827393.db2.gz HXAIGPFLKUOQDN-ATZDWAIDSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742669 720830793 /nfs/dbraw/zinc/83/07/93/720830793.db2.gz QKJSPCQGVMOKPT-OKZBNKHCSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742667 720830942 /nfs/dbraw/zinc/83/09/42/720830942.db2.gz QKJSPCQGVMOKPT-FGTMMUONSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1Cl ZINC001164753091 720855337 /nfs/dbraw/zinc/85/53/37/720855337.db2.gz WNOHKUJGEXHDEZ-SPYBWZPUSA-N 1 0 432.359 3.231 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001164760071 721240604 /nfs/dbraw/zinc/24/06/04/721240604.db2.gz CDLPGDVVDYMWEB-RBUKOAKNSA-N 1 0 449.946 3.486 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001164759436 721240689 /nfs/dbraw/zinc/24/06/89/721240689.db2.gz AHMYJYOKIXBSRD-MOPGFXCFSA-N 1 0 449.946 3.486 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4C#C[Si](C)(C)C)C3)O2)CC1 ZINC001164883572 721422694 /nfs/dbraw/zinc/42/26/94/721422694.db2.gz AWSWCWNWSONWPR-LADGPHEKSA-N 1 0 426.681 3.076 20 30 IGEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C#C[Si](C)(C)C)ccn4)C3)O2)CC1 ZINC001164888442 721448355 /nfs/dbraw/zinc/44/83/55/721448355.db2.gz MJSYSYCWVXJYAP-ISKFKSNPSA-N 1 0 426.681 3.076 20 30 IGEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789962 721460501 /nfs/dbraw/zinc/46/05/01/721460501.db2.gz YTBAMCBHQDAAPO-OAQYLSRUSA-N 1 0 430.593 3.084 20 30 IGEDRO N#Cc1cc2c(nc1N1CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCOC2 ZINC001164913994 721731539 /nfs/dbraw/zinc/73/15/39/721731539.db2.gz ZWJQOHKGXLJOAA-JOCHJYFZSA-N 1 0 425.483 3.159 20 30 IGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164935766 721890217 /nfs/dbraw/zinc/89/02/17/721890217.db2.gz XEFIZOZMOVLICE-WOJBJXKFSA-N 1 0 446.933 3.428 20 30 IGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979598 722138180 /nfs/dbraw/zinc/13/81/80/722138180.db2.gz LMEILJQFIOFZGI-LADGPHEKSA-N 1 0 426.524 3.138 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)CC1 ZINC001164613858 719025979 /nfs/dbraw/zinc/02/59/79/719025979.db2.gz IDTSBRRKQANJOG-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO Cc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C#N ZINC001164686094 719667096 /nfs/dbraw/zinc/66/70/96/719667096.db2.gz WOCHOKDRDPXZOO-HXUWFJFHSA-N 1 0 431.584 3.355 20 30 IGEDRO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C#N ZINC001164695658 719889848 /nfs/dbraw/zinc/88/98/48/719889848.db2.gz PLRBPQYAYZPYTL-UHFFFAOYSA-N 1 0 440.569 3.371 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001164834168 720331270 /nfs/dbraw/zinc/33/12/70/720331270.db2.gz YMURARMTDSIKSI-QZTJIDSGSA-N 1 0 437.922 3.063 20 30 IGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744234 720814162 /nfs/dbraw/zinc/81/41/62/720814162.db2.gz IESNKTZBCMNHBU-FRQCXROJSA-N 1 0 447.921 3.122 20 30 IGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747038 720857605 /nfs/dbraw/zinc/85/76/05/720857605.db2.gz HNPWHYHBUDACQI-RJGXRXQPSA-N 1 0 434.664 3.281 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164761554 721078381 /nfs/dbraw/zinc/07/83/81/721078381.db2.gz BSFNGBMKMLITTF-ZIAGYGMSSA-N 1 0 441.313 3.497 20 30 IGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)cnc3cnc(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164809962 721534792 /nfs/dbraw/zinc/53/47/92/721534792.db2.gz VXSCQQYIBVVWMC-MIZPHKNDSA-N 1 0 434.931 3.418 20 30 IGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)cnc3cnc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164809970 721535145 /nfs/dbraw/zinc/53/51/45/721535145.db2.gz VXSCQQYIBVVWMC-MZKRTTBSSA-N 1 0 434.931 3.418 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984049 722104709 /nfs/dbraw/zinc/10/47/09/722104709.db2.gz RNSVGFBIORPDRN-UWJYYQICSA-N 1 0 434.931 3.277 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164970866 722119741 /nfs/dbraw/zinc/11/97/41/722119741.db2.gz ACCJWJFGIYTBSW-VQIMIIECSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164970863 722120197 /nfs/dbraw/zinc/12/01/97/722120197.db2.gz ACCJWJFGIYTBSW-LPHOPBHVSA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164617433 719007959 /nfs/dbraw/zinc/00/79/59/719007959.db2.gz ODVGIPPLVXOIRA-UZLBHIALSA-N 1 0 438.906 3.301 20 30 IGEDRO C[N@H+](Cc1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1)C1CC1 ZINC001164663453 719358996 /nfs/dbraw/zinc/35/89/96/719358996.db2.gz FYZMHUOKOVGYFB-RUZDIDTESA-N 1 0 432.572 3.066 20 30 IGEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)n1 ZINC001164663794 719359339 /nfs/dbraw/zinc/35/93/39/719359339.db2.gz HHPRTOMXYBQTCO-RUZDIDTESA-N 1 0 432.572 3.067 20 30 IGEDRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1C#N ZINC001164682789 719672956 /nfs/dbraw/zinc/67/29/56/719672956.db2.gz PQBQRZLCRKDDRE-OAQYLSRUSA-N 1 0 431.584 3.355 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(CC#N)ccn3)CC2)c2ccccc21 ZINC001164686868 719674684 /nfs/dbraw/zinc/67/46/84/719674684.db2.gz YOFZKMYFPKMKTR-NRFANRHFSA-N 1 0 431.584 3.241 20 30 IGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)C1 ZINC001164729467 720516389 /nfs/dbraw/zinc/51/63/89/720516389.db2.gz ODJBQRLTSGLUQZ-CQSZACIVSA-N 1 0 425.899 3.202 20 30 IGEDRO C=CCOc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756612 720892119 /nfs/dbraw/zinc/89/21/19/720892119.db2.gz QXZJSGNVZBKWDY-JYFHCDHNSA-N 1 0 449.599 3.500 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(COc5ccc(CC#N)cc5)cn4)C[C@H]3C2)cn1 ZINC001164767732 721204825 /nfs/dbraw/zinc/20/48/25/721204825.db2.gz KLJOLINASOEKLT-BJKOFHAPSA-N 1 0 442.567 3.418 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCCC5(C)C)C3)O2)CC1 ZINC001164892762 721451110 /nfs/dbraw/zinc/45/11/10/721451110.db2.gz XWNKLQNGSQPYJX-NVQXNPDNSA-N 1 0 437.632 3.333 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971473 722109799 /nfs/dbraw/zinc/10/97/99/722109799.db2.gz CQJAQHLDRLQNPJ-APWZRJJASA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971881 722121610 /nfs/dbraw/zinc/12/16/10/722121610.db2.gz CYXRLQZVAUZYLU-ZWKOTPCHSA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164617430 719008105 /nfs/dbraw/zinc/00/81/05/719008105.db2.gz ODVGIPPLVXOIRA-OXQOHEQNSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164613962 719008762 /nfs/dbraw/zinc/00/87/62/719008762.db2.gz ARYYPJZGXRGKBB-UZLBHIALSA-N 1 0 438.906 3.301 20 30 IGEDRO CC(C)N(C)Cc1nn(-c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683396 719624756 /nfs/dbraw/zinc/62/47/56/719624756.db2.gz SGSOVNFZDIXOEE-UHFFFAOYSA-N 1 0 439.926 3.479 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)C2 ZINC001164816506 720137496 /nfs/dbraw/zinc/13/74/96/720137496.db2.gz ZQHIXGKXQHLXAG-OWHZGTRUSA-N 1 0 435.547 3.456 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2C#N)CC1 ZINC001164818571 720298055 /nfs/dbraw/zinc/29/80/55/720298055.db2.gz AHRPCFHKIFRONT-ROUUACIJSA-N 1 0 437.922 3.063 20 30 IGEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745392 720807468 /nfs/dbraw/zinc/80/74/68/720807468.db2.gz KFQCNUBGMCCVMN-STQMWFEESA-N 1 0 442.857 3.170 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745598 720822087 /nfs/dbraw/zinc/82/20/87/720822087.db2.gz XCNIQRZYSPLTSX-FRQCXROJSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739263 720831515 /nfs/dbraw/zinc/83/15/15/720831515.db2.gz HWTDMXTYRKJMSN-HHXXYDBFSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751069 720840626 /nfs/dbraw/zinc/84/06/26/720840626.db2.gz YFGIMDSFRBEBTF-ZHALLVOQSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745312 720856657 /nfs/dbraw/zinc/85/66/57/720856657.db2.gz DAYVOOPNGJXSBK-RLFYNMQTSA-N 1 0 432.359 3.231 20 30 IGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747045 720857598 /nfs/dbraw/zinc/85/75/98/720857598.db2.gz HNPWHYHBUDACQI-YTFSRNRJSA-N 1 0 434.664 3.281 20 30 IGEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861863 721003495 /nfs/dbraw/zinc/00/34/95/721003495.db2.gz QZSXSNQTSXHTTQ-FUHWJXTLSA-N 1 0 447.543 3.028 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164867960 721052333 /nfs/dbraw/zinc/05/23/33/721052333.db2.gz LKGMUBGRIMTXBM-SMIHKQSGSA-N 1 0 440.551 3.315 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164889967 721393775 /nfs/dbraw/zinc/39/37/75/721393775.db2.gz NCEJYULHUUCSOY-HRAATJIYSA-N 1 0 438.403 3.334 20 30 IGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164934712 721890181 /nfs/dbraw/zinc/89/01/81/721890181.db2.gz SGLRMIDHTNCEDQ-WOJBJXKFSA-N 1 0 446.933 3.428 20 30 IGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164934709 721890309 /nfs/dbraw/zinc/89/03/09/721890309.db2.gz SGLRMIDHTNCEDQ-PMACEKPBSA-N 1 0 446.933 3.428 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164970864 722120088 /nfs/dbraw/zinc/12/00/88/722120088.db2.gz ACCJWJFGIYTBSW-QFBILLFUSA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164616679 719009437 /nfs/dbraw/zinc/00/94/37/719009437.db2.gz LGPVVABEMSMWAL-UZLBHIALSA-N 1 0 438.906 3.301 20 30 IGEDRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1C#N ZINC001164682783 719672994 /nfs/dbraw/zinc/67/29/94/719672994.db2.gz PQBQRZLCRKDDRE-NRFANRHFSA-N 1 0 431.584 3.355 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001164823963 720321104 /nfs/dbraw/zinc/32/11/04/720321104.db2.gz CELYQWRBLKCJLV-ROUUACIJSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001164830057 720321482 /nfs/dbraw/zinc/32/14/82/720321482.db2.gz OMCCXGZDNOKQNC-IAGOWNOFSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001164825942 720354136 /nfs/dbraw/zinc/35/41/36/720354136.db2.gz KACOUIYYZRSWRJ-VXKWHMMOSA-N 1 0 435.616 3.479 20 30 IGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835571 720593206 /nfs/dbraw/zinc/59/32/06/720593206.db2.gz BKHVRWNDLXAZTE-ACIOBRDBSA-N 1 0 434.588 3.228 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164738348 720829699 /nfs/dbraw/zinc/82/96/99/720829699.db2.gz DWUQWZJHPBGCNY-QXAKKESOSA-N 1 0 447.921 3.122 20 30 IGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739978 720837500 /nfs/dbraw/zinc/83/75/00/720837500.db2.gz BGXWJNUJDGZTGS-DNVJHFABSA-N 1 0 434.664 3.281 20 30 IGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4ccc(F)c(C)c43)CC[C@@H]2C1 ZINC001164860899 720893695 /nfs/dbraw/zinc/89/36/95/720893695.db2.gz VZIGIUCESQZSEO-BEFAXECRSA-N 1 0 432.927 3.381 20 30 IGEDRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C=NO)c1 ZINC001164755614 720900316 /nfs/dbraw/zinc/90/03/16/720900316.db2.gz MERXJKWCAOIISG-UKILVPOCSA-N 1 0 435.572 3.348 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164883748 721419124 /nfs/dbraw/zinc/41/91/24/721419124.db2.gz BZKCJFOJAYCTHK-REWPJTCUSA-N 1 0 432.012 3.325 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C#C[Si](C)(C)C)ccn4)C3)O2)CC1 ZINC001164888446 721448304 /nfs/dbraw/zinc/44/83/04/721448304.db2.gz MJSYSYCWVXJYAP-UPVQGACJSA-N 1 0 426.681 3.076 20 30 IGEDRO CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900665 721522772 /nfs/dbraw/zinc/52/27/72/721522772.db2.gz SQCOKQNACAWQGD-HIFRSBDPSA-N 1 0 437.928 3.141 20 30 IGEDRO CN(CC1CC[NH+](C)CC1)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC001165042102 721936946 /nfs/dbraw/zinc/93/69/46/721936946.db2.gz FZAJNHZMKCKOKO-JOCHJYFZSA-N 1 0 449.580 3.446 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984040 722104599 /nfs/dbraw/zinc/10/45/99/722104599.db2.gz RNSVGFBIORPDRN-LAUBAEHRSA-N 1 0 434.931 3.277 20 30 IGEDRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C#N)c1 ZINC001164684378 719658197 /nfs/dbraw/zinc/65/81/97/719658197.db2.gz XCMNLIVEECHPTI-HXUWFJFHSA-N 1 0 431.584 3.355 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(F)cc3C#N)CC2)c2ccccc21 ZINC001164680669 719660360 /nfs/dbraw/zinc/66/03/60/719660360.db2.gz HFKOWSTXAZQMQR-GOSISDBHSA-N 1 0 435.547 3.186 20 30 IGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723623 720406803 /nfs/dbraw/zinc/40/68/03/720406803.db2.gz HAQYLXHUVHKDLZ-SFTDATJTSA-N 1 0 434.616 3.345 20 30 IGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723622 720407193 /nfs/dbraw/zinc/40/71/93/720407193.db2.gz HAQYLXHUVHKDLZ-RTWAWAEBSA-N 1 0 434.616 3.345 20 30 IGEDRO N#C[C@@H](c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nn1)c1ccccc1F ZINC001164728661 720571783 /nfs/dbraw/zinc/57/17/83/720571783.db2.gz KPVWYQUNCNIGKX-HXUWFJFHSA-N 1 0 431.519 3.126 20 30 IGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C4(C#N)CCOCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835572 720592371 /nfs/dbraw/zinc/59/23/71/720592371.db2.gz BKHVRWNDLXAZTE-AKIFATBCSA-N 1 0 434.588 3.228 20 30 IGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C4(C#N)CCOCC4)cn3)CC[C@@H]21 ZINC001164835573 720593354 /nfs/dbraw/zinc/59/33/54/720593354.db2.gz BKHVRWNDLXAZTE-PMVMPFDFSA-N 1 0 434.588 3.228 20 30 IGEDRO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164749285 720812336 /nfs/dbraw/zinc/81/23/36/720812336.db2.gz SYBKQYMVTOHCHX-RCCFBDPRSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742820 720815561 /nfs/dbraw/zinc/81/55/61/720815561.db2.gz QZRFLRARDCMEGS-PLMTUMEDSA-N 1 0 448.962 3.126 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164739279 720827201 /nfs/dbraw/zinc/82/72/01/720827201.db2.gz HXAIGPFLKUOQDN-KFKAGJAMSA-N 1 0 447.921 3.122 20 30 IGEDRO COc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164758483 720884016 /nfs/dbraw/zinc/88/40/16/720884016.db2.gz YMCNYUSVMUODOO-BWKNWUBXSA-N 1 0 433.556 3.112 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164883744 721419023 /nfs/dbraw/zinc/41/90/23/721419023.db2.gz BZKCJFOJAYCTHK-NZQKXSOJSA-N 1 0 432.012 3.325 20 30 IGEDRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893739 721427261 /nfs/dbraw/zinc/42/72/61/721427261.db2.gz KERCKHSCMLXRQR-ILBGXUMGSA-N 1 0 440.708 3.384 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cc1 ZINC001164999912 722251191 /nfs/dbraw/zinc/25/11/91/722251191.db2.gz IWONBSHOVJCJEA-NRFANRHFSA-N 1 0 445.571 3.126 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164423672 718944204 /nfs/dbraw/zinc/94/42/04/718944204.db2.gz JFTGILDIMPSPHI-IRXDYDNUSA-N 1 0 432.858 3.404 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164614065 719009619 /nfs/dbraw/zinc/00/96/19/719009619.db2.gz BUQHFMXMNQFNRA-QRWLVFNGSA-N 1 0 438.906 3.301 20 30 IGEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)n1 ZINC001164664883 719358935 /nfs/dbraw/zinc/35/89/35/719358935.db2.gz RLLKEJYXDNLNCL-RUZDIDTESA-N 1 0 432.572 3.067 20 30 IGEDRO Cc1cc(C#N)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684406 719680202 /nfs/dbraw/zinc/68/02/02/719680202.db2.gz IHNUZESNINFUQQ-NRFANRHFSA-N 1 0 431.584 3.355 20 30 IGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)CC2 ZINC001164693802 719758825 /nfs/dbraw/zinc/75/88/25/719758825.db2.gz ZUUZVEFKJVSFMM-UHFFFAOYSA-N 1 0 429.927 3.388 20 30 IGEDRO Cn1nnc2c1CCN(c1nc(-c3cccs3)ccc1C#N)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717167 720198157 /nfs/dbraw/zinc/19/81/57/720198157.db2.gz TYZPIAWNZKAERJ-HXUWFJFHSA-N 1 0 449.584 3.026 20 30 IGEDRO CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834947 720505994 /nfs/dbraw/zinc/50/59/94/720505994.db2.gz IOUYQQGQMOBKHL-ZMSDIMECSA-N 1 0 431.997 3.298 20 30 IGEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164836688 720524895 /nfs/dbraw/zinc/52/48/95/720524895.db2.gz NLENPUTYJSUEAR-WOIUINJBSA-N 1 0 436.560 3.013 20 30 IGEDRO N#Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750468 720878714 /nfs/dbraw/zinc/87/87/14/720878714.db2.gz JDGUGEGONFHDOB-AUSIDOKSSA-N 1 0 438.963 3.152 20 30 IGEDRO N#Cc1ncc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754895 720879292 /nfs/dbraw/zinc/87/92/92/720879292.db2.gz ULTFBCRVKJZFRB-CVDCTZTESA-N 1 0 438.963 3.152 20 30 IGEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164910969 721564318 /nfs/dbraw/zinc/56/43/18/721564318.db2.gz XSLHSQVVLIIVCK-ICSRJNTNSA-N 1 0 433.443 3.496 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972445 722121561 /nfs/dbraw/zinc/12/15/61/722121561.db2.gz FOMLNKXTZFJZRQ-QFBILLFUSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979602 722138149 /nfs/dbraw/zinc/13/81/49/722138149.db2.gz LMEILJQFIOFZGI-VWNXMTODSA-N 1 0 426.524 3.138 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164620267 719007018 /nfs/dbraw/zinc/00/70/18/719007018.db2.gz YCHODEIYYMVPJW-QRWLVFNGSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)CC1 ZINC001164613814 719024407 /nfs/dbraw/zinc/02/44/07/719024407.db2.gz FVBXYANKKJMURZ-UHFFFAOYSA-N 1 0 426.895 3.395 20 30 IGEDRO Cc1cc(C#N)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684412 719679999 /nfs/dbraw/zinc/67/99/99/719679999.db2.gz IHNUZESNINFUQQ-OAQYLSRUSA-N 1 0 431.584 3.355 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001164829891 720321153 /nfs/dbraw/zinc/32/11/53/720321153.db2.gz OKUYBOGELGGRNB-IRXDYDNUSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001164834165 720331155 /nfs/dbraw/zinc/33/11/55/720331155.db2.gz YMURARMTDSIKSI-MSOLQXFVSA-N 1 0 437.922 3.063 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751070 720840587 /nfs/dbraw/zinc/84/05/87/720840587.db2.gz YFGIMDSFRBEBTF-ZIFCJYIRSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1Cl ZINC001164753092 720855201 /nfs/dbraw/zinc/85/52/01/720855201.db2.gz WNOHKUJGEXHDEZ-YZVOILCLSA-N 1 0 432.359 3.231 20 30 IGEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753345 720889156 /nfs/dbraw/zinc/88/91/56/720889156.db2.gz GREHDZVJRMBNBO-HYBUGGRVSA-N 1 0 448.527 3.012 20 30 IGEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753348 720889271 /nfs/dbraw/zinc/88/92/71/720889271.db2.gz GREHDZVJRMBNBO-RDPSFJRHSA-N 1 0 448.527 3.012 20 30 IGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4ccc(F)c(C)c43)CC[C@@H]2C1 ZINC001164860902 720893843 /nfs/dbraw/zinc/89/38/43/720893843.db2.gz VZIGIUCESQZSEO-DNVCBOLYSA-N 1 0 432.927 3.381 20 30 IGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4ccc(F)c(C)c43)CC[C@H]2C1 ZINC001164860906 720893942 /nfs/dbraw/zinc/89/39/42/720893942.db2.gz VZIGIUCESQZSEO-HNAYVOBHSA-N 1 0 432.927 3.381 20 30 IGEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164861859 721003004 /nfs/dbraw/zinc/00/30/04/721003004.db2.gz QZSXSNQTSXHTTQ-AEFFLSMTSA-N 1 0 447.543 3.028 20 30 IGEDRO N#C[C@H](c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164863358 721108628 /nfs/dbraw/zinc/10/86/28/721108628.db2.gz CEGUURKEBGDLQL-URVUXULASA-N 1 0 444.514 3.146 20 30 IGEDRO N#Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977293 722154087 /nfs/dbraw/zinc/15/40/87/722154087.db2.gz YLKMBEUGMBEJLU-JPYJTQIMSA-N 1 0 444.495 3.137 20 30 IGEDRO CC(C)N(C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(C#N)cc2)c2c1CC[NH2+]C2 ZINC001164680714 719651575 /nfs/dbraw/zinc/65/15/75/719651575.db2.gz ICQXMXRRRKXDIB-UHFFFAOYSA-N 1 0 437.935 3.466 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)C2 ZINC001164816508 720137072 /nfs/dbraw/zinc/13/70/72/720137072.db2.gz ZQHIXGKXQHLXAG-QYXIYQDXSA-N 1 0 435.547 3.456 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001164823962 720320899 /nfs/dbraw/zinc/32/08/99/720320899.db2.gz CELYQWRBLKCJLV-QZTJIDSGSA-N 1 0 437.922 3.063 20 30 IGEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745386 720807504 /nfs/dbraw/zinc/80/75/04/720807504.db2.gz KFQCNUBGMCCVMN-OLZOCXBDSA-N 1 0 442.857 3.170 20 30 IGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740755 720828990 /nfs/dbraw/zinc/82/89/90/720828990.db2.gz LEFMADGQJDKXPV-XYJFISCASA-N 1 0 432.359 3.231 20 30 IGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740747 720829167 /nfs/dbraw/zinc/82/91/67/720829167.db2.gz LEFMADGQJDKXPV-JFIYKMOQSA-N 1 0 432.359 3.231 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739265 720831343 /nfs/dbraw/zinc/83/13/43/720831343.db2.gz HWTDMXTYRKJMSN-KVSKMBFKSA-N 1 0 447.921 3.122 20 30 IGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739979 720837242 /nfs/dbraw/zinc/83/72/42/720837242.db2.gz BGXWJNUJDGZTGS-RJGXRXQPSA-N 1 0 434.664 3.281 20 30 IGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164855343 720893774 /nfs/dbraw/zinc/89/37/74/720893774.db2.gz BHNKRHYNTTWRLF-DJJJIMSYSA-N 1 0 436.890 3.212 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1 ZINC001164767400 721082233 /nfs/dbraw/zinc/08/22/33/721082233.db2.gz LQNZOYFVAKVDQC-VJBWXMMDSA-N 1 0 427.556 3.132 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(COc5ccc(CC#N)cc5)cn4)C[C@H]3C2)cn1 ZINC001164767735 721205270 /nfs/dbraw/zinc/20/52/70/721205270.db2.gz KLJOLINASOEKLT-DNQXCXABSA-N 1 0 442.567 3.418 20 30 IGEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5cccs5)ccc4C#N)C3)O2)CC1 ZINC001164894896 721436381 /nfs/dbraw/zinc/43/63/81/721436381.db2.gz NACNIIUNMVATAZ-GBXCKJPGSA-N 1 0 437.613 3.447 20 30 IGEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164910975 721564494 /nfs/dbraw/zinc/56/44/94/721564494.db2.gz XSLHSQVVLIIVCK-QUCCMNQESA-N 1 0 433.443 3.496 20 30 IGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164935763 721890280 /nfs/dbraw/zinc/89/02/80/721890280.db2.gz XEFIZOZMOVLICE-VQTJNVASSA-N 1 0 446.933 3.428 20 30 IGEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)cc2c1Cl ZINC001164390981 718809877 /nfs/dbraw/zinc/80/98/77/718809877.db2.gz FHAZBRAYZHITLS-UHFFFAOYSA-N 1 0 440.281 3.017 20 30 IGEDRO Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1C#N ZINC001164685672 719666084 /nfs/dbraw/zinc/66/60/84/719666084.db2.gz VRVRHWRSQMKKGY-FQEVSTJZSA-N 1 0 431.584 3.355 20 30 IGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)C2 ZINC001164811545 720135362 /nfs/dbraw/zinc/13/53/62/720135362.db2.gz MDHYQUGBMNGCIQ-FOIQADDNSA-N 1 0 440.922 3.345 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2C#N)CC1 ZINC001164821602 720309985 /nfs/dbraw/zinc/30/99/85/720309985.db2.gz LDUNVENYJUUZSG-QZTJIDSGSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001164823964 720321183 /nfs/dbraw/zinc/32/11/83/720321183.db2.gz CELYQWRBLKCJLV-ZWKOTPCHSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001164834172 720331101 /nfs/dbraw/zinc/33/11/01/720331101.db2.gz YMURARMTDSIKSI-ZWKOTPCHSA-N 1 0 437.922 3.063 20 30 IGEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164836684 720524546 /nfs/dbraw/zinc/52/45/46/720524546.db2.gz NLENPUTYJSUEAR-NNMXDRDESA-N 1 0 436.560 3.013 20 30 IGEDRO COc1cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(C#N)c(Cl)n1 ZINC001164836183 720737945 /nfs/dbraw/zinc/73/79/45/720737945.db2.gz BWMAAOBKOAADDN-UHFFFAOYSA-N 1 0 436.894 3.409 20 30 IGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164747266 720807551 /nfs/dbraw/zinc/80/75/51/720807551.db2.gz MZKDOBFDQUDVAB-CABCVRRESA-N 1 0 438.894 3.339 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164737378 720831557 /nfs/dbraw/zinc/83/15/57/720831557.db2.gz APCJPVCEALBJOX-FGTMMUONSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)cc1Cl ZINC001164753093 720855565 /nfs/dbraw/zinc/85/55/65/720855565.db2.gz WNOHKUJGEXHDEZ-ZRGWGRIASA-N 1 0 432.359 3.231 20 30 IGEDRO COc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164758485 720884312 /nfs/dbraw/zinc/88/43/12/720884312.db2.gz YMCNYUSVMUODOO-PXDATVDWSA-N 1 0 433.556 3.112 20 30 IGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164855351 720893928 /nfs/dbraw/zinc/89/39/28/720893928.db2.gz BHNKRHYNTTWRLF-YJYMSZOUSA-N 1 0 436.890 3.212 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4C#N)C[C@@H]3C2)cn1 ZINC001164763239 721240559 /nfs/dbraw/zinc/24/05/59/721240559.db2.gz MXECJXCGNOEYTJ-MOPGFXCFSA-N 1 0 449.946 3.486 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899208 721524562 /nfs/dbraw/zinc/52/45/62/721524562.db2.gz KSYGZSYUCAXCCY-AEFFLSMTSA-N 1 0 444.894 3.264 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972444 722121218 /nfs/dbraw/zinc/12/12/18/722121218.db2.gz FOMLNKXTZFJZRQ-LPHOPBHVSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984630 722133419 /nfs/dbraw/zinc/13/34/19/722133419.db2.gz YAGVEYVMUGMKJU-VQIMIIECSA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164613959 719008644 /nfs/dbraw/zinc/00/86/44/719008644.db2.gz ARYYPJZGXRGKBB-JXFKEZNVSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164614062 719009552 /nfs/dbraw/zinc/00/95/52/719009552.db2.gz BUQHFMXMNQFNRA-MGPUTAFESA-N 1 0 438.906 3.301 20 30 IGEDRO Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1C#N ZINC001164685679 719665547 /nfs/dbraw/zinc/66/55/47/719665547.db2.gz VRVRHWRSQMKKGY-HXUWFJFHSA-N 1 0 431.584 3.355 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(C#N)c3F)CC2)c2ccccc21 ZINC001164681495 719668153 /nfs/dbraw/zinc/66/81/53/719668153.db2.gz LYBFQSQDHJIKIX-LJQANCHMSA-N 1 0 435.547 3.186 20 30 IGEDRO Cc1c(Cl)c(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164826607 720303698 /nfs/dbraw/zinc/30/36/98/720303698.db2.gz VWVNYHINAQWPDF-IRXDYDNUSA-N 1 0 436.387 3.480 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C#N)c2)CC1 ZINC001164823909 720319956 /nfs/dbraw/zinc/31/99/56/720319956.db2.gz BRKTZVLFIWLSTP-MSOLQXFVSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001164825937 720353666 /nfs/dbraw/zinc/35/36/66/720353666.db2.gz KACOUIYYZRSWRJ-FGZHOGPDSA-N 1 0 435.616 3.479 20 30 IGEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c(C)c1Cl ZINC001164748686 720812091 /nfs/dbraw/zinc/81/20/91/720812091.db2.gz QYRGZQXEMIZNDV-CMKODMSKSA-N 1 0 425.968 3.194 20 30 IGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164737379 720831433 /nfs/dbraw/zinc/83/14/33/720831433.db2.gz APCJPVCEALBJOX-KZNAEPCWSA-N 1 0 447.921 3.122 20 30 IGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739980 720837414 /nfs/dbraw/zinc/83/74/14/720837414.db2.gz BGXWJNUJDGZTGS-XPWALMASSA-N 1 0 434.664 3.281 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751068 720840411 /nfs/dbraw/zinc/84/04/11/720840411.db2.gz YFGIMDSFRBEBTF-YQVWRLOYSA-N 1 0 447.921 3.122 20 30 IGEDRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C=NO)c1 ZINC001164755615 720899869 /nfs/dbraw/zinc/89/98/69/720899869.db2.gz MERXJKWCAOIISG-ZCYQVOJMSA-N 1 0 435.572 3.348 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164767402 721081167 /nfs/dbraw/zinc/08/11/67/721081167.db2.gz LQNZOYFVAKVDQC-ZLNRFVROSA-N 1 0 427.556 3.132 20 30 IGEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C#N ZINC001164765707 721159611 /nfs/dbraw/zinc/15/96/11/721159611.db2.gz KGBOLOGACYRIGA-PMACEKPBSA-N 1 0 445.596 3.429 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4C#N)C[C@@H]3C2)cn1 ZINC001164763240 721240734 /nfs/dbraw/zinc/24/07/34/721240734.db2.gz MXECJXCGNOEYTJ-OALUTQOASA-N 1 0 449.946 3.486 20 30 IGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164786015 721450185 /nfs/dbraw/zinc/45/01/85/721450185.db2.gz MAGRJSFNIJZYEX-GOSISDBHSA-N 1 0 436.959 3.480 20 30 IGEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164910979 721564027 /nfs/dbraw/zinc/56/40/27/721564027.db2.gz XSLHSQVVLIIVCK-UYAOXDASSA-N 1 0 433.443 3.496 20 30 IGEDRO N#Cc1nc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164906443 721705323 /nfs/dbraw/zinc/70/53/23/721705323.db2.gz LYANGAVUZXHRLM-LJQANCHMSA-N 1 0 429.862 3.006 20 30 IGEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001165011535 721745997 /nfs/dbraw/zinc/74/59/97/721745997.db2.gz YTCDGZSPKJAJGJ-UHFFFAOYSA-N 1 0 447.583 3.250 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164975682 722115921 /nfs/dbraw/zinc/11/59/21/722115921.db2.gz KGRSXMSKWSBAAG-QFBILLFUSA-N 1 0 433.890 3.274 20 30 IGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981049 722121591 /nfs/dbraw/zinc/12/15/91/722121591.db2.gz SFFPPSQKZVJCJY-QZTJIDSGSA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423670 718944110 /nfs/dbraw/zinc/94/41/10/718944110.db2.gz JFTGILDIMPSPHI-IAGOWNOFSA-N 1 0 432.858 3.404 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164614060 719009299 /nfs/dbraw/zinc/00/92/99/719009299.db2.gz BUQHFMXMNQFNRA-FOIQADDNSA-N 1 0 438.906 3.301 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(C#N)cc3F)CC2)c2ccccc21 ZINC001164685743 719674038 /nfs/dbraw/zinc/67/40/38/719674038.db2.gz VVBAKGGZZRPYJD-LJQANCHMSA-N 1 0 435.547 3.186 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(C#N)cc3F)CC2)c2ccccc21 ZINC001164685737 719674242 /nfs/dbraw/zinc/67/42/42/719674242.db2.gz VVBAKGGZZRPYJD-IBGZPJMESA-N 1 0 435.547 3.186 20 30 IGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C#N)cc31)CC2 ZINC001164710054 720102299 /nfs/dbraw/zinc/10/22/99/720102299.db2.gz GHOAQOWFTKVPMW-OAQYLSRUSA-N 1 0 428.540 3.404 20 30 IGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(C#N)cc1C#N)CC2 ZINC001164717368 720116348 /nfs/dbraw/zinc/11/63/48/720116348.db2.gz NVBYZGFRGSSHBR-FQEVSTJZSA-N 1 0 436.947 3.381 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2C#N)CC1 ZINC001164818569 720297702 /nfs/dbraw/zinc/29/77/02/720297702.db2.gz AHRPCFHKIFRONT-QZTJIDSGSA-N 1 0 437.922 3.063 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(C#N)cnc3cnc(Cl)cc32)CC1 ZINC001164825754 720300079 /nfs/dbraw/zinc/30/00/79/720300079.db2.gz TXFLEUKMGRZZJG-PMACEKPBSA-N 1 0 438.963 3.066 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001164833950 720316552 /nfs/dbraw/zinc/31/65/52/720316552.db2.gz YFQULSBORBZSFK-ZWKOTPCHSA-N 1 0 437.922 3.063 20 30 IGEDRO CCCc1cc(C#N)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164829450 720324661 /nfs/dbraw/zinc/32/46/61/720324661.db2.gz MBJWQYAZSKAQAU-WOJBJXKFSA-N 1 0 429.996 3.471 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001164825947 720353758 /nfs/dbraw/zinc/35/37/58/720353758.db2.gz KACOUIYYZRSWRJ-YADHBBJMSA-N 1 0 435.616 3.479 20 30 IGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745601 720821977 /nfs/dbraw/zinc/82/19/77/720821977.db2.gz XCNIQRZYSPLTSX-TXPKVOOTSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164738347 720829392 /nfs/dbraw/zinc/82/93/92/720829392.db2.gz DWUQWZJHPBGCNY-NZSAHSFTSA-N 1 0 447.921 3.122 20 30 IGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751067 720840550 /nfs/dbraw/zinc/84/05/50/720840550.db2.gz YFGIMDSFRBEBTF-JENIJYKNSA-N 1 0 447.921 3.122 20 30 IGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859376 720943023 /nfs/dbraw/zinc/94/30/23/720943023.db2.gz NJCASSMCDBGBSP-CQSZACIVSA-N 1 0 430.940 3.401 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164761551 721079242 /nfs/dbraw/zinc/07/92/42/721079242.db2.gz BSFNGBMKMLITTF-KGLIPLIRSA-N 1 0 441.313 3.497 20 30 IGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4C#N)C[C@H]3C2)cn1 ZINC001164763243 721240499 /nfs/dbraw/zinc/24/04/99/721240499.db2.gz MXECJXCGNOEYTJ-RBUKOAKNSA-N 1 0 449.946 3.486 20 30 IGEDRO Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893744 721427270 /nfs/dbraw/zinc/42/72/70/721427270.db2.gz KERCKHSCMLXRQR-NOZRDPDXSA-N 1 0 440.708 3.384 20 30 IGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972443 722121309 /nfs/dbraw/zinc/12/13/09/722121309.db2.gz FOMLNKXTZFJZRQ-APWZRJJASA-N 1 0 433.890 3.274 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164620258 719006975 /nfs/dbraw/zinc/00/69/75/719006975.db2.gz YCHODEIYYMVPJW-FOIQADDNSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164618708 719007540 /nfs/dbraw/zinc/00/75/40/719007540.db2.gz SJCITLMDPHJMRZ-OXJNMPFZSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164617052 719008889 /nfs/dbraw/zinc/00/88/89/719008889.db2.gz LTJRSZNHRMOKIJ-UZLBHIALSA-N 1 0 438.906 3.301 20 30 IGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC2)CC1 ZINC001164616342 719030309 /nfs/dbraw/zinc/03/03/09/719030309.db2.gz BFOURBMIIXXSIT-UHFFFAOYSA-N 1 0 441.576 3.182 20 30 IGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(CC#N)ccn3)CC2)c2ccccc21 ZINC001164686875 719674482 /nfs/dbraw/zinc/67/44/82/719674482.db2.gz YOFZKMYFPKMKTR-OAQYLSRUSA-N 1 0 431.584 3.241 20 30 IGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)C2 ZINC001164811548 720135286 /nfs/dbraw/zinc/13/52/86/720135286.db2.gz MDHYQUGBMNGCIQ-YWZLYKJASA-N 1 0 440.922 3.345 20 30 IGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)c(C#N)cc1F)CC2 ZINC001164714705 720139359 /nfs/dbraw/zinc/13/93/59/720139359.db2.gz YBEXWUUCWRDIBQ-LJQANCHMSA-N 1 0 425.508 3.003 20 30 IGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001164833945 720316165 /nfs/dbraw/zinc/31/61/65/720316165.db2.gz YFQULSBORBZSFK-MSOLQXFVSA-N 1 0 437.922 3.063 20 30 IGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)cc1 ZINC001164733059 720552676 /nfs/dbraw/zinc/55/26/76/720552676.db2.gz IUJWZUPLZQGWKZ-QFIPXVFZSA-N 1 0 427.556 3.296 20 30 IGEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c(C)c1Cl ZINC001164748692 720812168 /nfs/dbraw/zinc/81/21/68/720812168.db2.gz QYRGZQXEMIZNDV-WSTZPKSXSA-N 1 0 425.968 3.194 20 30 IGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739981 720837619 /nfs/dbraw/zinc/83/76/19/720837619.db2.gz BGXWJNUJDGZTGS-YTFSRNRJSA-N 1 0 434.664 3.281 20 30 IGEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164765717 721160042 /nfs/dbraw/zinc/16/00/42/721160042.db2.gz KGBOLOGACYRIGA-VQTJNVASSA-N 1 0 445.596 3.429 20 30 IGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001164934711 721890239 /nfs/dbraw/zinc/89/02/39/721890239.db2.gz SGLRMIDHTNCEDQ-VQTJNVASSA-N 1 0 446.933 3.428 20 30 IGEDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccccc2)C1 ZINC001165035966 721895910 /nfs/dbraw/zinc/89/59/10/721895910.db2.gz QNKKNLWQMYTWKR-UTKZUKDTSA-N 1 0 435.553 3.199 20 30 IGEDRO N#Cc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164975684 722115484 /nfs/dbraw/zinc/11/54/84/722115484.db2.gz KGRSXMSKWSBAAG-VQIMIIECSA-N 1 0 433.890 3.274 20 30 IGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985446 722133313 /nfs/dbraw/zinc/13/33/13/722133313.db2.gz ZMRGUDKPBRVHLZ-SIKLNZKXSA-N 1 0 448.571 3.060 20 30 IGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985447 722133525 /nfs/dbraw/zinc/13/35/25/722133525.db2.gz ZMRGUDKPBRVHLZ-UGKGYDQZSA-N 1 0 448.571 3.060 20 30 IGEDRO