smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001315558786 1064582673 /nfs/dbraw/zinc/58/26/73/1064582673.db2.gz HVFRRNHJYPIZRD-QHCPKHFHSA-N 1 3 468.671 4.285 20 0 JIADHO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001315607085 1064723932 /nfs/dbraw/zinc/72/39/32/1064723932.db2.gz NANGWGZKDZQCQS-OAQYLSRUSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315607657 1064725335 /nfs/dbraw/zinc/72/53/35/1064725335.db2.gz SOHWTIILYPLYPV-UHFFFAOYSA-N 1 3 454.663 4.139 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315630186 1064780044 /nfs/dbraw/zinc/78/00/44/1064780044.db2.gz XZIGAOHMHOLUNJ-QFIPXVFZSA-N 1 3 468.690 4.063 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001315630186 1064780056 /nfs/dbraw/zinc/78/00/56/1064780056.db2.gz XZIGAOHMHOLUNJ-QFIPXVFZSA-N 1 3 468.690 4.063 20 0 JIADHO COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCCC2)CC1 ZINC001316029422 1065641973 /nfs/dbraw/zinc/64/19/73/1065641973.db2.gz XDBFQZHCMJKXNC-UHFFFAOYSA-N 1 3 495.499 4.285 20 0 JIADHO COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCCC2)CC1 ZINC001316029422 1065641981 /nfs/dbraw/zinc/64/19/81/1065641981.db2.gz XDBFQZHCMJKXNC-UHFFFAOYSA-N 1 3 495.499 4.285 20 0 JIADHO COCCN(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001316074955 1065712451 /nfs/dbraw/zinc/71/24/51/1065712451.db2.gz TUTNVYKUPCLUJP-UHFFFAOYSA-N 1 3 495.137 4.113 20 0 JIADHO COCCN(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001316074955 1065712460 /nfs/dbraw/zinc/71/24/60/1065712460.db2.gz TUTNVYKUPCLUJP-UHFFFAOYSA-N 1 3 495.137 4.113 20 0 JIADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)CC2)CC1 ZINC001318073340 1066885585 /nfs/dbraw/zinc/88/55/85/1066885585.db2.gz IEKKVCSSBFYYMX-UHFFFAOYSA-N 1 3 467.466 4.334 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300067724 1067583871 /nfs/dbraw/zinc/58/38/71/1067583871.db2.gz SWEDIZWWAZYAEY-OAQYLSRUSA-N 1 3 484.689 4.147 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126417 1067753206 /nfs/dbraw/zinc/75/32/06/1067753206.db2.gz NLKILJQYLBPCLD-DHIUTWEWSA-N 1 3 482.717 4.113 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126417 1067753214 /nfs/dbraw/zinc/75/32/14/1067753214.db2.gz NLKILJQYLBPCLD-DHIUTWEWSA-N 1 3 482.717 4.113 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492997 1069061648 /nfs/dbraw/zinc/06/16/48/1069061648.db2.gz IGARZWUGSJJDDX-WUFINQPMSA-N 1 3 471.649 4.035 20 0 JIADHO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512893 1069097497 /nfs/dbraw/zinc/09/74/97/1069097497.db2.gz MQLFOSGSFIKCKW-DPLHUUCSSA-N 1 3 494.511 4.377 20 0 JIADHO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)N(C)C)c1 ZINC001315544278 1064546444 /nfs/dbraw/zinc/54/64/44/1064546444.db2.gz CBUKSIUJRHCOCE-VRUMLPLGSA-N 1 3 498.716 4.039 20 0 JIADHO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)N(C)C)c1 ZINC001315544278 1064546459 /nfs/dbraw/zinc/54/64/59/1064546459.db2.gz CBUKSIUJRHCOCE-VRUMLPLGSA-N 1 3 498.716 4.039 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315564628 1064594552 /nfs/dbraw/zinc/59/45/52/1064594552.db2.gz WCFWOZFEENBYKX-QFIPXVFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001315564628 1064594565 /nfs/dbraw/zinc/59/45/65/1064594565.db2.gz WCFWOZFEENBYKX-QFIPXVFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315606239 1064722199 /nfs/dbraw/zinc/72/21/99/1064722199.db2.gz BKRHNLNNFMSSBB-HSZRJFAPSA-N 1 3 468.690 4.244 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001315606239 1064722212 /nfs/dbraw/zinc/72/22/12/1064722212.db2.gz BKRHNLNNFMSSBB-HSZRJFAPSA-N 1 3 468.690 4.244 20 0 JIADHO COc1cc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)ccc1OCc1ccc(F)cc1 ZINC001321654918 1067191914 /nfs/dbraw/zinc/19/19/14/1067191914.db2.gz VBZLNMVOEKBEHC-UHFFFAOYSA-N 1 3 463.597 4.451 20 0 JIADHO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342326 1068331494 /nfs/dbraw/zinc/33/14/94/1068331494.db2.gz WEIUPJOXSRTBDO-IZZNHLLZSA-N 1 3 498.716 4.388 20 0 JIADHO COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342326 1068331506 /nfs/dbraw/zinc/33/15/06/1068331506.db2.gz WEIUPJOXSRTBDO-IZZNHLLZSA-N 1 3 498.716 4.388 20 0 JIADHO CN(Cc1ccccc1NC(=S)NCC[NH+]1CCCCC1)C[C@H](O)c1ccc(Cl)cc1 ZINC001200434460 1068535401 /nfs/dbraw/zinc/53/54/01/1068535401.db2.gz VGICCGOWICEXNC-QHCPKHFHSA-N 1 3 461.075 4.278 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492586515 1069003874 /nfs/dbraw/zinc/00/38/74/1069003874.db2.gz KHCAIZPWQDQDSF-DEOSSOPVSA-N 1 3 452.691 4.218 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001492587121 1069020373 /nfs/dbraw/zinc/02/03/73/1069020373.db2.gz FIJFMRUQOWKWBG-SANMLTNESA-N 1 3 466.718 4.466 20 0 JIADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849510100 1069091786 /nfs/dbraw/zinc/09/17/86/1069091786.db2.gz GZABYPRXTGUQGY-SFTDATJTSA-N 1 3 480.484 4.133 20 0 JIADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cc(Cl)cc(Br)c2)cc1 ZINC001200691785 1069300064 /nfs/dbraw/zinc/30/00/64/1069300064.db2.gz HSAWRFQSLYSFIK-UHFFFAOYSA-N 1 3 450.808 4.218 20 0 JIADHO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972435 722124888 /nfs/dbraw/zinc/12/48/88/722124888.db2.gz FICVZTZSRNGOCP-IGKIAQTJSA-N 1 3 453.590 4.207 20 0 JIADHO CC(C)(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001359537189 1069831781 /nfs/dbraw/zinc/83/17/81/1069831781.db2.gz NVMXNZLZGHGPMP-UHFFFAOYSA-N 1 3 495.760 4.390 20 0 JIADHO CC(C)(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001359537189 1069831782 /nfs/dbraw/zinc/83/17/82/1069831782.db2.gz NVMXNZLZGHGPMP-UHFFFAOYSA-N 1 3 495.760 4.390 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001492543801 1066668945 /nfs/dbraw/zinc/66/89/45/1066668945.db2.gz YNDDOSCAFVPMPO-HSZRJFAPSA-N 1 3 482.698 4.497 20 0 JIADHO Cc1ccc(CN2CCCN(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)cc1 ZINC001318097490 1066897855 /nfs/dbraw/zinc/89/78/55/1066897855.db2.gz SZHSTOOASCVFHP-UHFFFAOYSA-N 1 3 452.668 4.326 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300294812 1068112532 /nfs/dbraw/zinc/11/25/32/1068112532.db2.gz VGOGKJSTAORYAT-LXFBAYGMSA-N 1 3 498.716 4.154 20 0 JIADHO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001300335726 1068308993 /nfs/dbraw/zinc/30/89/93/1068308993.db2.gz VOESMZGWGSWARZ-HSZRJFAPSA-N 1 3 454.663 4.168 20 0 JIADHO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)N(C)C)c1 ZINC001300340781 1068325205 /nfs/dbraw/zinc/32/52/05/1068325205.db2.gz OUKMZTTXZPRVFT-SANMLTNESA-N 1 3 482.717 4.490 20 0 JIADHO COc1cccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342324 1068331745 /nfs/dbraw/zinc/33/17/45/1068331745.db2.gz WEIUPJOXSRTBDO-CLJLJLNGSA-N 1 3 498.716 4.388 20 0 JIADHO COc1cccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342324 1068331753 /nfs/dbraw/zinc/33/17/53/1068331753.db2.gz WEIUPJOXSRTBDO-CLJLJLNGSA-N 1 3 498.716 4.388 20 0 JIADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559663 1069209284 /nfs/dbraw/zinc/20/92/84/1069209284.db2.gz VRRNFQOSAMWCDP-WDYNHAJCSA-N 1 3 487.692 4.395 20 0 JIADHO CC(C)[N@H+]1CC[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559663 1069209302 /nfs/dbraw/zinc/20/93/02/1069209302.db2.gz VRRNFQOSAMWCDP-WDYNHAJCSA-N 1 3 487.692 4.395 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001359547480 1069853012 /nfs/dbraw/zinc/85/30/12/1069853012.db2.gz QWJFMZQTBBPUSN-UHFFFAOYSA-N 1 3 486.680 4.430 20 0 JIADHO CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359548869 1069856523 /nfs/dbraw/zinc/85/65/23/1069856523.db2.gz UCAXKHWGHONLTQ-UHFFFAOYSA-N 1 3 492.510 4.221 20 0 JIADHO CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359549581 1069857500 /nfs/dbraw/zinc/85/75/00/1069857500.db2.gz ULUXXFSQLSKCAM-UHFFFAOYSA-N 1 3 463.457 4.434 20 0 JIADHO CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001359549581 1069857503 /nfs/dbraw/zinc/85/75/03/1069857503.db2.gz ULUXXFSQLSKCAM-UHFFFAOYSA-N 1 3 463.457 4.434 20 0 JIADHO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001315558785 1064582771 /nfs/dbraw/zinc/58/27/71/1064582771.db2.gz HVFRRNHJYPIZRD-HSZRJFAPSA-N 1 3 468.671 4.285 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315629908 1064779308 /nfs/dbraw/zinc/77/93/08/1064779308.db2.gz QSIZEAPMXXGIND-JOCHJYFZSA-N 1 3 482.717 4.309 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315629908 1064779321 /nfs/dbraw/zinc/77/93/21/1064779321.db2.gz QSIZEAPMXXGIND-JOCHJYFZSA-N 1 3 482.717 4.309 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300067782 1067584845 /nfs/dbraw/zinc/58/48/45/1067584845.db2.gz VLRRZUAZXRSMTR-UHFFFAOYSA-N 1 3 454.663 4.139 20 0 JIADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC001200105935 1067629610 /nfs/dbraw/zinc/62/96/10/1067629610.db2.gz QLQNHSDPRGZGED-JOCHJYFZSA-N 1 3 457.460 4.350 20 0 JIADHO C[C@H]1CN([C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058190 1067789492 /nfs/dbraw/zinc/78/94/92/1067789492.db2.gz VCCFGJPEKQFDOO-YADARESESA-N 1 3 488.051 4.019 20 0 JIADHO C[C@H]1CN([C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058187 1067789555 /nfs/dbraw/zinc/78/95/55/1067789555.db2.gz VCCFGJPEKQFDOO-CYFREDJKSA-N 1 3 488.051 4.019 20 0 JIADHO [NH2+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849067013 1067794671 /nfs/dbraw/zinc/79/46/71/1067794671.db2.gz XNCWZVXQUDHDRX-HXUWFJFHSA-N 1 3 470.459 4.054 20 0 JIADHO [NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849072055 1067796815 /nfs/dbraw/zinc/79/68/15/1067796815.db2.gz DSNLGLZKULXJPA-UHFFFAOYSA-N 1 3 485.470 4.276 20 0 JIADHO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)N(C)C)c1 ZINC001300339755 1068320252 /nfs/dbraw/zinc/32/02/52/1068320252.db2.gz IVBVJFIVOJJXHV-RUZDIDTESA-N 1 3 491.684 4.271 20 0 JIADHO COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)N(C)C)c1 ZINC001300339755 1068320272 /nfs/dbraw/zinc/32/02/72/1068320272.db2.gz IVBVJFIVOJJXHV-RUZDIDTESA-N 1 3 491.684 4.271 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001300507057 1068880776 /nfs/dbraw/zinc/88/07/76/1068880776.db2.gz HUOOPOUNJMJNEN-UHFFFAOYSA-N 1 3 456.679 4.383 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600416 1069256344 /nfs/dbraw/zinc/25/63/44/1069256344.db2.gz HGMSTTOWNVSSQN-UPRLRBBYSA-N 1 3 477.697 4.139 20 0 JIADHO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972436 722125092 /nfs/dbraw/zinc/12/50/92/722125092.db2.gz FICVZTZSRNGOCP-RPLLCQBOSA-N 1 3 453.590 4.207 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC001359545918 1069849145 /nfs/dbraw/zinc/84/91/45/1069849145.db2.gz KVVKJMQGPKSUFE-VWLOTQADSA-N 1 3 496.744 4.139 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001359545918 1069849148 /nfs/dbraw/zinc/84/91/48/1069849148.db2.gz KVVKJMQGPKSUFE-VWLOTQADSA-N 1 3 496.744 4.139 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359546716 1069851326 /nfs/dbraw/zinc/85/13/26/1069851326.db2.gz NSEBDUHSBOISJS-JOCHJYFZSA-N 1 3 460.711 4.200 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315564627 1064594620 /nfs/dbraw/zinc/59/46/20/1064594620.db2.gz WCFWOZFEENBYKX-JOCHJYFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001315564627 1064594630 /nfs/dbraw/zinc/59/46/30/1064594630.db2.gz WCFWOZFEENBYKX-JOCHJYFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315630185 1064779879 /nfs/dbraw/zinc/77/98/79/1064779879.db2.gz XZIGAOHMHOLUNJ-JOCHJYFZSA-N 1 3 468.690 4.063 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001315630185 1064779896 /nfs/dbraw/zinc/77/98/96/1064779896.db2.gz XZIGAOHMHOLUNJ-JOCHJYFZSA-N 1 3 468.690 4.063 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001492546528 1066828346 /nfs/dbraw/zinc/82/83/46/1066828346.db2.gz XROOQGAJDCMNBT-HSZRJFAPSA-N 1 3 482.698 4.450 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001492546528 1066828350 /nfs/dbraw/zinc/82/83/50/1066828350.db2.gz XROOQGAJDCMNBT-HSZRJFAPSA-N 1 3 482.698 4.450 20 0 JIADHO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001492547144 1066915040 /nfs/dbraw/zinc/91/50/40/1066915040.db2.gz PKLIZOXBVPCWJU-HSZRJFAPSA-N 1 3 482.698 4.308 20 0 JIADHO COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1 ZINC000849058728 1067788989 /nfs/dbraw/zinc/78/89/89/1067788989.db2.gz PMGKJJPDJYMKLY-UHFFFAOYSA-N 1 3 459.594 4.162 20 0 JIADHO [NH2+]=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849061604 1067791108 /nfs/dbraw/zinc/79/11/08/1067791108.db2.gz QNXLEQGASLRYRB-HSZRJFAPSA-N 1 3 458.025 4.395 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300294813 1068111283 /nfs/dbraw/zinc/11/12/83/1068111283.db2.gz VGOGKJSTAORYAT-NEKDWFFYSA-N 1 3 498.716 4.154 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300387986 1068494604 /nfs/dbraw/zinc/49/46/04/1068494604.db2.gz GAOKRGPIOKLKOJ-VXKWHMMOSA-N 1 3 468.690 4.242 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001492587120 1069020623 /nfs/dbraw/zinc/02/06/23/1069020623.db2.gz FIJFMRUQOWKWBG-AREMUKBSSA-N 1 3 466.718 4.466 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000849515850 1069102682 /nfs/dbraw/zinc/10/26/82/1069102682.db2.gz MXHSQJUKSZWOKO-PFBJBMPXSA-N 1 3 465.686 4.137 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000849515850 1069102688 /nfs/dbraw/zinc/10/26/88/1069102688.db2.gz MXHSQJUKSZWOKO-PFBJBMPXSA-N 1 3 465.686 4.137 20 0 JIADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556115 1069201643 /nfs/dbraw/zinc/20/16/43/1069201643.db2.gz VNFSIGHJTIHRLV-KAYWLYCHSA-N 1 3 477.697 4.281 20 0 JIADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556115 1069201653 /nfs/dbraw/zinc/20/16/53/1069201653.db2.gz VNFSIGHJTIHRLV-KAYWLYCHSA-N 1 3 477.697 4.281 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556125 1069202633 /nfs/dbraw/zinc/20/26/33/1069202633.db2.gz VNFSIGHJTIHRLV-SVBPBHIXSA-N 1 3 477.697 4.281 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556125 1069202660 /nfs/dbraw/zinc/20/26/60/1069202660.db2.gz VNFSIGHJTIHRLV-SVBPBHIXSA-N 1 3 477.697 4.281 20 0 JIADHO CC(C)N(C)Cc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679576 719640534 /nfs/dbraw/zinc/64/05/34/719640534.db2.gz HUDWVLQPCDXGLA-GOSISDBHSA-N 1 3 493.725 4.084 20 0 JIADHO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972437 722125210 /nfs/dbraw/zinc/12/52/10/722125210.db2.gz FICVZTZSRNGOCP-SHQCIBLASA-N 1 3 453.590 4.207 20 0 JIADHO COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)N(C)C)c1 ZINC001315548196 1064559416 /nfs/dbraw/zinc/55/94/16/1064559416.db2.gz XMTAJZPSUDHNCH-RLWLMLJZSA-N 1 3 468.690 4.379 20 0 JIADHO COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)N(C)C)c1 ZINC001315548196 1064559429 /nfs/dbraw/zinc/55/94/29/1064559429.db2.gz XMTAJZPSUDHNCH-RLWLMLJZSA-N 1 3 468.690 4.379 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300126419 1067753643 /nfs/dbraw/zinc/75/36/43/1067753643.db2.gz NLKILJQYLBPCLD-GOTSBHOMSA-N 1 3 482.717 4.113 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300126419 1067753651 /nfs/dbraw/zinc/75/36/51/1067753651.db2.gz NLKILJQYLBPCLD-GOTSBHOMSA-N 1 3 482.717 4.113 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300294399 1068109350 /nfs/dbraw/zinc/10/93/50/1068109350.db2.gz HFSBELTYYHNWBA-UHFFFAOYSA-N 1 3 484.689 4.051 20 0 JIADHO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)N(C)C)c1 ZINC001300339758 1068320380 /nfs/dbraw/zinc/32/03/80/1068320380.db2.gz IVBVJFIVOJJXHV-VWLOTQADSA-N 1 3 491.684 4.271 20 0 JIADHO COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)N(C)C)c1 ZINC001300339758 1068320390 /nfs/dbraw/zinc/32/03/90/1068320390.db2.gz IVBVJFIVOJJXHV-VWLOTQADSA-N 1 3 491.684 4.271 20 0 JIADHO COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)c1 ZINC001300340101 1068321563 /nfs/dbraw/zinc/32/15/63/1068321563.db2.gz KROUUHOSGSJEBC-RUZDIDTESA-N 1 3 468.690 4.100 20 0 JIADHO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512896 1069097800 /nfs/dbraw/zinc/09/78/00/1069097800.db2.gz MQLFOSGSFIKCKW-LGVFNWMJSA-N 1 3 494.511 4.377 20 0 JIADHO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512895 1069097975 /nfs/dbraw/zinc/09/79/75/1069097975.db2.gz MQLFOSGSFIKCKW-IMSXRSKXSA-N 1 3 494.511 4.377 20 0 JIADHO c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962566 722060569 /nfs/dbraw/zinc/06/05/69/722060569.db2.gz UNBIQTJRNRROAM-UHFFFAOYSA-N 1 3 457.622 4.349 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001359545917 1069849308 /nfs/dbraw/zinc/84/93/08/1069849308.db2.gz KVVKJMQGPKSUFE-RUZDIDTESA-N 1 3 496.744 4.139 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001359545917 1069849309 /nfs/dbraw/zinc/84/93/09/1069849309.db2.gz KVVKJMQGPKSUFE-RUZDIDTESA-N 1 3 496.744 4.139 20 0 JIADHO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001315548031 1064558535 /nfs/dbraw/zinc/55/85/35/1064558535.db2.gz WWMPHZIFFMRECN-DEOSSOPVSA-N 1 3 468.690 4.243 20 0 JIADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3cccnc3)c2)CC1 ZINC001318340390 1067024272 /nfs/dbraw/zinc/02/42/72/1067024272.db2.gz NIWIGYLKAJBLLE-UHFFFAOYSA-N 1 3 466.633 4.031 20 0 JIADHO COc1ccc(NC(=[NH2+])NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000849070915 1067796375 /nfs/dbraw/zinc/79/63/75/1067796375.db2.gz PGBXTZFDFPAHNP-UHFFFAOYSA-N 1 3 479.547 4.261 20 0 JIADHO COc1cccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)c1 ZINC001300335598 1068307782 /nfs/dbraw/zinc/30/77/82/1068307782.db2.gz UQCQKGKBYUTUEX-QHCPKHFHSA-N 1 3 498.075 4.083 20 0 JIADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)CC1 ZINC001200631401 1069111752 /nfs/dbraw/zinc/11/17/52/1069111752.db2.gz RUBKQPSWTVEOKJ-UHFFFAOYSA-N 1 3 457.622 4.180 20 0 JIADHO CC(C)N(C)Cc1nn(-c2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679457 719638819 /nfs/dbraw/zinc/63/88/19/719638819.db2.gz BBBDKDNVYJYADJ-UHFFFAOYSA-N 1 3 493.725 4.084 20 0 JIADHO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC=CCC2)CC1 ZINC001359546489 1069850310 /nfs/dbraw/zinc/85/03/10/1069850310.db2.gz GVIHJAZRUVSEBE-UHFFFAOYSA-N 1 3 457.066 4.419 20 0 JIADHO COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)N(C)C)c1 ZINC001315548195 1064559152 /nfs/dbraw/zinc/55/91/52/1064559152.db2.gz XMTAJZPSUDHNCH-QFQXNSOFSA-N 1 3 468.690 4.379 20 0 JIADHO COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)N(C)C)c1 ZINC001315548195 1064559171 /nfs/dbraw/zinc/55/91/71/1064559171.db2.gz XMTAJZPSUDHNCH-QFQXNSOFSA-N 1 3 468.690 4.379 20 0 JIADHO COC1CC[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001315703943 1064969481 /nfs/dbraw/zinc/96/94/81/1064969481.db2.gz HLGVCINJZVVLCX-UHFFFAOYSA-N 1 3 496.744 4.263 20 0 JIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611714 1067306757 /nfs/dbraw/zinc/30/67/57/1067306757.db2.gz SRWQPPHAOVGIDK-SFHVURJKSA-N 1 3 463.981 4.327 20 0 JIADHO C[C@@H]1CN([C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058189 1067789532 /nfs/dbraw/zinc/78/95/32/1067789532.db2.gz VCCFGJPEKQFDOO-NTKDMRAZSA-N 1 3 488.051 4.019 20 0 JIADHO CC1(C)CN([C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000849073248 1067796780 /nfs/dbraw/zinc/79/67/80/1067796780.db2.gz ZEALICAEAHUSLW-RUZDIDTESA-N 1 3 484.088 4.270 20 0 JIADHO [NH3+]C1CC2(C1)CCN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)CC2 ZINC001164386683 718802220 /nfs/dbraw/zinc/80/22/20/718802220.db2.gz DJCMFXQZFKJHBJ-UHFFFAOYSA-N 1 3 467.013 4.104 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300074048 1067597723 /nfs/dbraw/zinc/59/77/23/1067597723.db2.gz CRICJSMMLXQXAE-HSZRJFAPSA-N 1 3 468.690 4.386 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001300074048 1067597729 /nfs/dbraw/zinc/59/77/29/1067597729.db2.gz CRICJSMMLXQXAE-HSZRJFAPSA-N 1 3 468.690 4.386 20 0 JIADHO COc1ccccc1[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000849060567 1067790502 /nfs/dbraw/zinc/79/05/02/1067790502.db2.gz FCMQTPDCHCREQW-QHCPKHFHSA-N 1 3 481.641 4.040 20 0 JIADHO [NH2+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849066959 1067794437 /nfs/dbraw/zinc/79/44/37/1067794437.db2.gz STMWGKHCJGYVMD-FQEVSTJZSA-N 1 3 470.459 4.054 20 0 JIADHO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)N(C)C)c1 ZINC001300340137 1068321282 /nfs/dbraw/zinc/32/12/82/1068321282.db2.gz LCOAQEGVWKYZRJ-LADGPHEKSA-N 1 3 468.690 4.243 20 0 JIADHO CC(C)N(C)Cc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679578 719640511 /nfs/dbraw/zinc/64/05/11/719640511.db2.gz HUDWVLQPCDXGLA-SFHVURJKSA-N 1 3 493.725 4.084 20 0 JIADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c21 ZINC001164770257 721295487 /nfs/dbraw/zinc/29/54/87/721295487.db2.gz QNOMSVSFIRAKAQ-UHFFFAOYSA-N 1 3 493.051 4.319 20 0 JIADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c21 ZINC001164770257 721295489 /nfs/dbraw/zinc/29/54/89/721295489.db2.gz QNOMSVSFIRAKAQ-UHFFFAOYSA-N 1 3 493.051 4.319 20 0 JIADHO COc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651832 1069337313 /nfs/dbraw/zinc/33/73/13/1069337313.db2.gz HZLIFYIEXYMYCJ-FIPFOOKPSA-N 1 3 498.716 4.154 20 0 JIADHO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658142 1070253004 /nfs/dbraw/zinc/25/30/04/1070253004.db2.gz VELUFTXNHHXMGV-FQEVSTJZSA-N 1 3 492.510 4.077 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001492547598 1066932205 /nfs/dbraw/zinc/93/22/05/1066932205.db2.gz DKBLZLLGQVVRTN-HSZRJFAPSA-N 1 3 468.690 4.208 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001492547598 1066932220 /nfs/dbraw/zinc/93/22/20/1066932220.db2.gz DKBLZLLGQVVRTN-HSZRJFAPSA-N 1 3 468.690 4.208 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300068169 1067586010 /nfs/dbraw/zinc/58/60/10/1067586010.db2.gz ZWGSKUFMFLTLEK-JOCHJYFZSA-N 1 3 468.690 4.386 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300068169 1067586018 /nfs/dbraw/zinc/58/60/18/1067586018.db2.gz ZWGSKUFMFLTLEK-JOCHJYFZSA-N 1 3 468.690 4.386 20 0 JIADHO [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849067861 1067795304 /nfs/dbraw/zinc/79/53/04/1067795304.db2.gz ANRNTTRWXNEICO-UHFFFAOYSA-N 1 3 479.632 4.272 20 0 JIADHO [NH2+]=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCCc1cccs1 ZINC000849070858 1067796442 /nfs/dbraw/zinc/79/64/42/1067796442.db2.gz JCGCBHPAMNRZOY-UHFFFAOYSA-N 1 3 453.578 4.026 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492586264 1069000597 /nfs/dbraw/zinc/00/05/97/1069000597.db2.gz BJQCBAVGBDBVLN-HSZRJFAPSA-N 1 3 452.691 4.218 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492586264 1069000607 /nfs/dbraw/zinc/00/06/07/1069000607.db2.gz BJQCBAVGBDBVLN-HSZRJFAPSA-N 1 3 452.691 4.218 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492586265 1069000751 /nfs/dbraw/zinc/00/07/51/1069000751.db2.gz BJQCBAVGBDBVLN-QHCPKHFHSA-N 1 3 452.691 4.218 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492586265 1069000765 /nfs/dbraw/zinc/00/07/65/1069000765.db2.gz BJQCBAVGBDBVLN-QHCPKHFHSA-N 1 3 452.691 4.218 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492996 1069061536 /nfs/dbraw/zinc/06/15/36/1069061536.db2.gz IGARZWUGSJJDDX-VSGBNLITSA-N 1 3 471.649 4.035 20 0 JIADHO C[NH+](C)CC1CCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)CC1 ZINC001165044775 721948031 /nfs/dbraw/zinc/94/80/31/721948031.db2.gz IINWUIHMWFGNRJ-UHFFFAOYSA-N 1 3 469.029 4.175 20 0 JIADHO CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359538664 1069834736 /nfs/dbraw/zinc/83/47/36/1069834736.db2.gz ZSWAWPAVHABOHV-UHFFFAOYSA-N 1 3 452.691 4.236 20 0 JIADHO CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001359538664 1069834741 /nfs/dbraw/zinc/83/47/41/1069834741.db2.gz ZSWAWPAVHABOHV-UHFFFAOYSA-N 1 3 452.691 4.236 20 0 JIADHO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCN2CC=CCC2)CC1 ZINC001359547849 1069853841 /nfs/dbraw/zinc/85/38/41/1069853841.db2.gz DXDKGBHVIKCNGT-UHFFFAOYSA-N 1 3 487.490 4.280 20 0 JIADHO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCN2CC=CCC2)CC1 ZINC001359547849 1069853843 /nfs/dbraw/zinc/85/38/43/1069853843.db2.gz DXDKGBHVIKCNGT-UHFFFAOYSA-N 1 3 487.490 4.280 20 0 JIADHO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001300390384 1068505393 /nfs/dbraw/zinc/50/53/93/1068505393.db2.gz XMTHZZJMOIIFRH-JOCHJYFZSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300507786 1068882456 /nfs/dbraw/zinc/88/24/56/1068882456.db2.gz SXKFGRPRBBOXEV-HXUWFJFHSA-N 1 3 468.671 4.239 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001492587461 1069025429 /nfs/dbraw/zinc/02/54/29/1069025429.db2.gz QMJAUDHUFGHMQV-UHFFFAOYSA-N 1 3 452.691 4.220 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001492587461 1069025447 /nfs/dbraw/zinc/02/54/47/1069025447.db2.gz QMJAUDHUFGHMQV-UHFFFAOYSA-N 1 3 452.691 4.220 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001300567575 1069062360 /nfs/dbraw/zinc/06/23/60/1069062360.db2.gz HPQRNRFTZOUKLN-UHFFFAOYSA-N 1 3 468.690 4.063 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001300567575 1069062364 /nfs/dbraw/zinc/06/23/64/1069062364.db2.gz HPQRNRFTZOUKLN-UHFFFAOYSA-N 1 3 468.690 4.063 20 0 JIADHO CC(C)(C)CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001359547126 1069851554 /nfs/dbraw/zinc/85/15/54/1069851554.db2.gz CHAUWBHYRZIOAX-UHFFFAOYSA-N 1 3 464.702 4.274 20 0 JIADHO COc1cccc([C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315547403 1064557128 /nfs/dbraw/zinc/55/71/28/1064557128.db2.gz QFTOSSQARGRQFT-QFIPXVFZSA-N 1 3 466.630 4.079 20 0 JIADHO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001315606233 1064722239 /nfs/dbraw/zinc/72/22/39/1064722239.db2.gz BITFWUUEPQVITB-JOCHJYFZSA-N 1 3 468.671 4.096 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001492546530 1066828216 /nfs/dbraw/zinc/82/82/16/1066828216.db2.gz XROOQGAJDCMNBT-QHCPKHFHSA-N 1 3 482.698 4.450 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001492546530 1066828218 /nfs/dbraw/zinc/82/82/18/1066828218.db2.gz XROOQGAJDCMNBT-QHCPKHFHSA-N 1 3 482.698 4.450 20 0 JIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)o1 ZINC001321653467 1067190728 /nfs/dbraw/zinc/19/07/28/1067190728.db2.gz KYBBMTUCFZPPGJ-UHFFFAOYSA-N 1 3 455.606 4.478 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300074049 1067597532 /nfs/dbraw/zinc/59/75/32/1067597532.db2.gz CRICJSMMLXQXAE-QHCPKHFHSA-N 1 3 468.690 4.386 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001300074049 1067597543 /nfs/dbraw/zinc/59/75/43/1067597543.db2.gz CRICJSMMLXQXAE-QHCPKHFHSA-N 1 3 468.690 4.386 20 0 JIADHO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)N(C)C)c1 ZINC001300340141 1068322177 /nfs/dbraw/zinc/32/21/77/1068322177.db2.gz LCOAQEGVWKYZRJ-VWNXMTODSA-N 1 3 468.690 4.243 20 0 JIADHO COc1cccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342325 1068331324 /nfs/dbraw/zinc/33/13/24/1068331324.db2.gz WEIUPJOXSRTBDO-FTJBHMTQSA-N 1 3 498.716 4.388 20 0 JIADHO COc1cccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342325 1068331341 /nfs/dbraw/zinc/33/13/41/1068331341.db2.gz WEIUPJOXSRTBDO-FTJBHMTQSA-N 1 3 498.716 4.388 20 0 JIADHO COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342327 1068331886 /nfs/dbraw/zinc/33/18/86/1068331886.db2.gz WEIUPJOXSRTBDO-UIOOFZCWSA-N 1 3 498.716 4.388 20 0 JIADHO COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001300342327 1068331908 /nfs/dbraw/zinc/33/19/08/1068331908.db2.gz WEIUPJOXSRTBDO-UIOOFZCWSA-N 1 3 498.716 4.388 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300510459 1068887220 /nfs/dbraw/zinc/88/72/20/1068887220.db2.gz RDROJJCLCCFSKY-UHFFFAOYSA-N 1 3 468.690 4.244 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300573184 1069087086 /nfs/dbraw/zinc/08/70/86/1069087086.db2.gz DNTTVWQJTLKARA-HSZRJFAPSA-N 1 3 482.717 4.168 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300573184 1069087094 /nfs/dbraw/zinc/08/70/94/1069087094.db2.gz DNTTVWQJTLKARA-HSZRJFAPSA-N 1 3 482.717 4.168 20 0 JIADHO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512894 1069097339 /nfs/dbraw/zinc/09/73/39/1069097339.db2.gz MQLFOSGSFIKCKW-HFMPRLQTSA-N 1 3 494.511 4.377 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559659 1069208735 /nfs/dbraw/zinc/20/87/35/1069208735.db2.gz VRRNFQOSAMWCDP-URLMMPGGSA-N 1 3 487.692 4.395 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559659 1069208750 /nfs/dbraw/zinc/20/87/50/1069208750.db2.gz VRRNFQOSAMWCDP-URLMMPGGSA-N 1 3 487.692 4.395 20 0 JIADHO COc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651833 1069336929 /nfs/dbraw/zinc/33/69/29/1069336929.db2.gz HZLIFYIEXYMYCJ-LXFBAYGMSA-N 1 3 498.716 4.154 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300509999 1068885805 /nfs/dbraw/zinc/88/58/05/1068885805.db2.gz BFVBOEUHACADHV-QFIPXVFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300509999 1068885807 /nfs/dbraw/zinc/88/58/07/1068885807.db2.gz BFVBOEUHACADHV-QFIPXVFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651835 1069337274 /nfs/dbraw/zinc/33/72/74/1069337274.db2.gz HZLIFYIEXYMYCJ-QDPGVEIFSA-N 1 3 498.716 4.154 20 0 JIADHO CC(C)(C)N1CCN(c2nnc(-c3ccccn3)n2CCCCCCC[NH+]2CCCC2)CC1 ZINC001359549091 1069857133 /nfs/dbraw/zinc/85/71/33/1069857133.db2.gz BXESRDQTHIAPRB-UHFFFAOYSA-N 1 3 453.679 4.307 20 0 JIADHO COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001315545409 1064550916 /nfs/dbraw/zinc/55/09/16/1064550916.db2.gz ASPFKFWGWOVLOA-AREMUKBSSA-N 1 3 491.684 4.208 20 0 JIADHO COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001315545409 1064550934 /nfs/dbraw/zinc/55/09/34/1064550934.db2.gz ASPFKFWGWOVLOA-AREMUKBSSA-N 1 3 491.684 4.208 20 0 JIADHO COCC[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001316070175 1065709883 /nfs/dbraw/zinc/70/98/83/1065709883.db2.gz QFHSTISYRHHAFB-UHFFFAOYSA-N 1 3 491.105 4.312 20 0 JIADHO COCC[N@@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001316070175 1065709892 /nfs/dbraw/zinc/70/98/92/1065709892.db2.gz QFHSTISYRHHAFB-UHFFFAOYSA-N 1 3 491.105 4.312 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001300067237 1067582964 /nfs/dbraw/zinc/58/29/64/1067582964.db2.gz MGAXSJPRKRRRMO-NRFANRHFSA-N 1 3 468.671 4.239 20 0 JIADHO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCN(C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300340779 1068325392 /nfs/dbraw/zinc/32/53/92/1068325392.db2.gz OTPOHHICRWCLSZ-QHCPKHFHSA-N 1 3 454.663 4.168 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001300387984 1068494324 /nfs/dbraw/zinc/49/43/24/1068494324.db2.gz GAOKRGPIOKLKOJ-FGZHOGPDSA-N 1 3 468.690 4.242 20 0 JIADHO CN(Cc1ccccc1NC(=S)NCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(Cl)cc1 ZINC001200434459 1068535692 /nfs/dbraw/zinc/53/56/92/1068535692.db2.gz VGICCGOWICEXNC-HSZRJFAPSA-N 1 3 461.075 4.278 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518900 1069108884 /nfs/dbraw/zinc/10/88/84/1069108884.db2.gz SUSFGKFHSIOXMJ-SVBPBHIXSA-N 1 3 473.665 4.025 20 0 JIADHO CN(CC1CC[NH+](C)CC1)c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165043216 721936099 /nfs/dbraw/zinc/93/60/99/721936099.db2.gz QWOJOOGHVNCQEV-UHFFFAOYSA-N 1 3 469.029 4.175 20 0 JIADHO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)N(C)C)c1 ZINC001315544703 1064547820 /nfs/dbraw/zinc/54/78/20/1064547820.db2.gz HPPUQCPOSWQFCK-LQOCYXTFSA-N 1 3 468.690 4.414 20 0 JIADHO COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)N(C)C)c1 ZINC001315548194 1064559522 /nfs/dbraw/zinc/55/95/22/1064559522.db2.gz XMTAJZPSUDHNCH-LVXARBLLSA-N 1 3 468.690 4.379 20 0 JIADHO COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)N(C)C)c1 ZINC001315548194 1064559539 /nfs/dbraw/zinc/55/95/39/1064559539.db2.gz XMTAJZPSUDHNCH-LVXARBLLSA-N 1 3 468.690 4.379 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300067286 1067583179 /nfs/dbraw/zinc/58/31/79/1067583179.db2.gz NWVLHWOSCFUCET-NRFANRHFSA-N 1 3 484.689 4.003 20 0 JIADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC001200105938 1067629705 /nfs/dbraw/zinc/62/97/05/1067629705.db2.gz QLQNHSDPRGZGED-QFIPXVFZSA-N 1 3 457.460 4.350 20 0 JIADHO COc1ccc(NC(=[NH2+])NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1OC ZINC000849058891 1067789052 /nfs/dbraw/zinc/78/90/52/1067789052.db2.gz ZSIDGYUFTIWKBV-UHFFFAOYSA-N 1 3 459.594 4.162 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606727 1069264104 /nfs/dbraw/zinc/26/41/04/1069264104.db2.gz RCBCDGLPSXZIIA-NSOVKSMOSA-N 1 3 471.649 4.474 20 0 JIADHO COc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651834 1069336965 /nfs/dbraw/zinc/33/69/65/1069336965.db2.gz HZLIFYIEXYMYCJ-NEKDWFFYSA-N 1 3 498.716 4.154 20 0 JIADHO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)N(C)C)c1 ZINC001315544702 1064548031 /nfs/dbraw/zinc/54/80/31/1064548031.db2.gz HPPUQCPOSWQFCK-GCKKQHTFSA-N 1 3 468.690 4.414 20 0 JIADHO COc1cccc([C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315547402 1064556791 /nfs/dbraw/zinc/55/67/91/1064556791.db2.gz QFTOSSQARGRQFT-JOCHJYFZSA-N 1 3 466.630 4.079 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315629418 1064777714 /nfs/dbraw/zinc/77/77/14/1064777714.db2.gz LUGRFLVWSNXUGH-XMMPIXPASA-N 1 3 482.717 4.309 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492546769 1066852551 /nfs/dbraw/zinc/85/25/51/1066852551.db2.gz AYDNGXQWMYWGLT-UHFFFAOYSA-N 1 3 468.690 4.208 20 0 JIADHO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001300071221 1067592858 /nfs/dbraw/zinc/59/28/58/1067592858.db2.gz QOFDPZCSDUKNLL-QHCPKHFHSA-N 1 3 468.671 4.096 20 0 JIADHO COc1ccc(OC)c(NC(=[NH2+])NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000849070975 1067796208 /nfs/dbraw/zinc/79/62/08/1067796208.db2.gz AYLIMJZNAPNFQP-UHFFFAOYSA-N 1 3 479.547 4.261 20 0 JIADHO [NH2+]=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849074501 1067797422 /nfs/dbraw/zinc/79/74/22/1067797422.db2.gz SGCDWBYPLCZZCY-UHFFFAOYSA-N 1 3 452.606 4.363 20 0 JIADHO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001300387757 1068492935 /nfs/dbraw/zinc/49/29/35/1068492935.db2.gz AWSAKXOHHBXDMQ-QFIPXVFZSA-N 1 3 468.671 4.096 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001300387757 1068492940 /nfs/dbraw/zinc/49/29/40/1068492940.db2.gz AWSAKXOHHBXDMQ-QFIPXVFZSA-N 1 3 468.671 4.096 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300390203 1068504018 /nfs/dbraw/zinc/50/40/18/1068504018.db2.gz UDWUWIOIZQNSJZ-JOCHJYFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300390203 1068504040 /nfs/dbraw/zinc/50/40/40/1068504040.db2.gz UDWUWIOIZQNSJZ-JOCHJYFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300509998 1068885754 /nfs/dbraw/zinc/88/57/54/1068885754.db2.gz BFVBOEUHACADHV-JOCHJYFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300509998 1068885756 /nfs/dbraw/zinc/88/57/56/1068885756.db2.gz BFVBOEUHACADHV-JOCHJYFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300573187 1069086980 /nfs/dbraw/zinc/08/69/80/1069086980.db2.gz DNTTVWQJTLKARA-QHCPKHFHSA-N 1 3 482.717 4.168 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300573187 1069086989 /nfs/dbraw/zinc/08/69/89/1069086989.db2.gz DNTTVWQJTLKARA-QHCPKHFHSA-N 1 3 482.717 4.168 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597901 1069254532 /nfs/dbraw/zinc/25/45/32/1069254532.db2.gz WQNCMWYWNRINMZ-ULNSLHSMSA-N 1 3 493.740 4.426 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597901 1069254540 /nfs/dbraw/zinc/25/45/40/1069254540.db2.gz WQNCMWYWNRINMZ-ULNSLHSMSA-N 1 3 493.740 4.426 20 0 JIADHO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972438 722124837 /nfs/dbraw/zinc/12/48/37/722124837.db2.gz FICVZTZSRNGOCP-SQHAQQRYSA-N 1 3 453.590 4.207 20 0 JIADHO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658143 1070252644 /nfs/dbraw/zinc/25/26/44/1070252644.db2.gz VELUFTXNHHXMGV-HXUWFJFHSA-N 1 3 492.510 4.077 20 0 JIADHO COc1cccc([C@@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549481 1064564302 /nfs/dbraw/zinc/56/43/02/1064564302.db2.gz QPQRLWOYULJKAI-XMMPIXPASA-N 1 3 468.690 4.199 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300068170 1067585932 /nfs/dbraw/zinc/58/59/32/1067585932.db2.gz ZWGSKUFMFLTLEK-QFIPXVFZSA-N 1 3 468.690 4.386 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300068170 1067585937 /nfs/dbraw/zinc/58/59/37/1067585937.db2.gz ZWGSKUFMFLTLEK-QFIPXVFZSA-N 1 3 468.690 4.386 20 0 JIADHO COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCN(C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300340778 1068324673 /nfs/dbraw/zinc/32/46/73/1068324673.db2.gz OTPOHHICRWCLSZ-HSZRJFAPSA-N 1 3 454.663 4.168 20 0 JIADHO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001300510721 1068887678 /nfs/dbraw/zinc/88/76/78/1068887678.db2.gz ZCULMAJXYRERQM-NRFANRHFSA-N 1 3 468.671 4.096 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300510721 1068887682 /nfs/dbraw/zinc/88/76/82/1068887682.db2.gz ZCULMAJXYRERQM-NRFANRHFSA-N 1 3 468.671 4.096 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001492587343 1069024174 /nfs/dbraw/zinc/02/41/74/1069024174.db2.gz MYYVTVAELIWQHF-QHCPKHFHSA-N 1 3 466.718 4.467 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001492587343 1069024185 /nfs/dbraw/zinc/02/41/85/1069024185.db2.gz MYYVTVAELIWQHF-QHCPKHFHSA-N 1 3 466.718 4.467 20 0 JIADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559656 1069209010 /nfs/dbraw/zinc/20/90/10/1069209010.db2.gz VRRNFQOSAMWCDP-FQLXRVMXSA-N 1 3 487.692 4.395 20 0 JIADHO CC(C)[N@H+]1CC[C@@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559656 1069209035 /nfs/dbraw/zinc/20/90/35/1069209035.db2.gz VRRNFQOSAMWCDP-FQLXRVMXSA-N 1 3 487.692 4.395 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359546717 1069851190 /nfs/dbraw/zinc/85/11/90/1069851190.db2.gz NSEBDUHSBOISJS-QFIPXVFZSA-N 1 3 460.711 4.200 20 0 JIADHO COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001315545410 1064550851 /nfs/dbraw/zinc/55/08/51/1064550851.db2.gz ASPFKFWGWOVLOA-SANMLTNESA-N 1 3 491.684 4.208 20 0 JIADHO COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)c1 ZINC001315545410 1064550864 /nfs/dbraw/zinc/55/08/64/1064550864.db2.gz ASPFKFWGWOVLOA-SANMLTNESA-N 1 3 491.684 4.208 20 0 JIADHO COc1cccc([C@H](Cn2c(N3CCN(C(C)(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548458 1064560169 /nfs/dbraw/zinc/56/01/69/1064560169.db2.gz JBMNECGAKTXYLN-QHCPKHFHSA-N 1 3 468.690 4.342 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCCC[NH+]2CCCC2)c(OC)c1 ZINC001300066745 1067581574 /nfs/dbraw/zinc/58/15/74/1067581574.db2.gz FPVPASGVJSOSCM-UHFFFAOYSA-N 1 3 484.689 4.149 20 0 JIADHO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)N(C)C)c1 ZINC001300340780 1068325612 /nfs/dbraw/zinc/32/56/12/1068325612.db2.gz OUKMZTTXZPRVFT-AREMUKBSSA-N 1 3 482.717 4.490 20 0 JIADHO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001300510722 1068887734 /nfs/dbraw/zinc/88/77/34/1068887734.db2.gz ZCULMAJXYRERQM-OAQYLSRUSA-N 1 3 468.671 4.096 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300510722 1068887735 /nfs/dbraw/zinc/88/77/35/1068887735.db2.gz ZCULMAJXYRERQM-OAQYLSRUSA-N 1 3 468.671 4.096 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000849515848 1069102418 /nfs/dbraw/zinc/10/24/18/1069102418.db2.gz MXHSQJUKSZWOKO-OYUWMTPXSA-N 1 3 465.686 4.137 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000849515848 1069102424 /nfs/dbraw/zinc/10/24/24/1069102424.db2.gz MXHSQJUKSZWOKO-OYUWMTPXSA-N 1 3 465.686 4.137 20 0 JIADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556127 1069201754 /nfs/dbraw/zinc/20/17/54/1069201754.db2.gz VNFSIGHJTIHRLV-SXOMAYOGSA-N 1 3 477.697 4.281 20 0 JIADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556127 1069201775 /nfs/dbraw/zinc/20/17/75/1069201775.db2.gz VNFSIGHJTIHRLV-SXOMAYOGSA-N 1 3 477.697 4.281 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559661 1069210391 /nfs/dbraw/zinc/21/03/91/1069210391.db2.gz VRRNFQOSAMWCDP-VMPREFPWSA-N 1 3 487.692 4.395 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559661 1069210400 /nfs/dbraw/zinc/21/04/00/1069210400.db2.gz VRRNFQOSAMWCDP-VMPREFPWSA-N 1 3 487.692 4.395 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600410 1069255858 /nfs/dbraw/zinc/25/58/58/1069255858.db2.gz HGMSTTOWNVSSQN-HZFUHODCSA-N 1 3 477.697 4.139 20 0 JIADHO COc1ccccc1SCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001315664753 1064876440 /nfs/dbraw/zinc/87/64/40/1064876440.db2.gz BPTGRJKRMCWNJV-UHFFFAOYSA-N 1 3 486.730 4.376 20 0 JIADHO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4cccc(CN5CCN(C)CC5)c4)cc3)nc12 ZINC001327213536 1066313589 /nfs/dbraw/zinc/31/35/89/1066313589.db2.gz WPMQGEJJTYPGNK-UHFFFAOYSA-N 1 3 469.633 4.259 20 0 JIADHO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)cc2)CC1 ZINC001351008356 1067030674 /nfs/dbraw/zinc/03/06/74/1067030674.db2.gz PEKAAWSBKDDKME-DEOSSOPVSA-N 1 3 454.684 4.482 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300067287 1067582910 /nfs/dbraw/zinc/58/29/10/1067582910.db2.gz NWVLHWOSCFUCET-OAQYLSRUSA-N 1 3 484.689 4.003 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001300070571 1067591023 /nfs/dbraw/zinc/59/10/23/1067591023.db2.gz JLDKGOXNCPUPQF-UHFFFAOYSA-N 1 3 484.689 4.005 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001492587342 1069024336 /nfs/dbraw/zinc/02/43/36/1069024336.db2.gz MYYVTVAELIWQHF-HSZRJFAPSA-N 1 3 466.718 4.467 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001492587342 1069024355 /nfs/dbraw/zinc/02/43/55/1069024355.db2.gz MYYVTVAELIWQHF-HSZRJFAPSA-N 1 3 466.718 4.467 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492995 1069061627 /nfs/dbraw/zinc/06/16/27/1069061627.db2.gz IGARZWUGSJJDDX-NSOVKSMOSA-N 1 3 471.649 4.035 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300572780 1069085407 /nfs/dbraw/zinc/08/54/07/1069085407.db2.gz LDLHAJDKBYTSHH-VWLOTQADSA-N 1 3 482.717 4.166 20 0 JIADHO CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359550037 1069857847 /nfs/dbraw/zinc/85/78/47/1069857847.db2.gz MQQZIWXFOKGNMN-UHFFFAOYSA-N 1 3 468.690 4.085 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315629417 1064777806 /nfs/dbraw/zinc/77/78/06/1064777806.db2.gz LUGRFLVWSNXUGH-DEOSSOPVSA-N 1 3 482.717 4.309 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315630016 1064778894 /nfs/dbraw/zinc/77/88/94/1064778894.db2.gz SOMCWGYIHDNWER-HSZRJFAPSA-N 1 3 482.717 4.166 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315630016 1064778907 /nfs/dbraw/zinc/77/89/07/1064778907.db2.gz SOMCWGYIHDNWER-HSZRJFAPSA-N 1 3 482.717 4.166 20 0 JIADHO Cc1nc(N2CCCCC2)sc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001338755561 1066570638 /nfs/dbraw/zinc/57/06/38/1066570638.db2.gz JMXUXLNMWWHRPS-UHFFFAOYSA-N 1 3 458.672 4.221 20 0 JIADHO Cc1nc(N2CCCCC2)sc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001338755561 1066570651 /nfs/dbraw/zinc/57/06/51/1066570651.db2.gz JMXUXLNMWWHRPS-UHFFFAOYSA-N 1 3 458.672 4.221 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300067723 1067583902 /nfs/dbraw/zinc/58/39/02/1067583902.db2.gz SWEDIZWWAZYAEY-NRFANRHFSA-N 1 3 484.689 4.147 20 0 JIADHO COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)cc1 ZINC001300071220 1067592747 /nfs/dbraw/zinc/59/27/47/1067592747.db2.gz QOFDPZCSDUKNLL-HSZRJFAPSA-N 1 3 468.671 4.096 20 0 JIADHO C[C@@H]1CN([C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058188 1067789297 /nfs/dbraw/zinc/78/92/97/1067789297.db2.gz VCCFGJPEKQFDOO-DVECYGJZSA-N 1 3 488.051 4.019 20 0 JIADHO COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)c1 ZINC001300340102 1068321325 /nfs/dbraw/zinc/32/13/25/1068321325.db2.gz KROUUHOSGSJEBC-VWLOTQADSA-N 1 3 468.690 4.100 20 0 JIADHO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001300376630 1068449824 /nfs/dbraw/zinc/44/98/24/1068449824.db2.gz RODFNPJGTQEJPN-QFIPXVFZSA-N 1 3 468.671 4.285 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300387985 1068494799 /nfs/dbraw/zinc/49/47/99/1068494799.db2.gz GAOKRGPIOKLKOJ-SZPZYZBQSA-N 1 3 468.690 4.242 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300387985 1068494803 /nfs/dbraw/zinc/49/48/03/1068494803.db2.gz GAOKRGPIOKLKOJ-SZPZYZBQSA-N 1 3 468.690 4.242 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000849515854 1069102532 /nfs/dbraw/zinc/10/25/32/1069102532.db2.gz MXHSQJUKSZWOKO-ZONZVBGPSA-N 1 3 465.686 4.137 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000849515854 1069102545 /nfs/dbraw/zinc/10/25/45/1069102545.db2.gz MXHSQJUKSZWOKO-ZONZVBGPSA-N 1 3 465.686 4.137 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518901 1069109094 /nfs/dbraw/zinc/10/90/94/1069109094.db2.gz SUSFGKFHSIOXMJ-SXOMAYOGSA-N 1 3 473.665 4.025 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597898 1069254399 /nfs/dbraw/zinc/25/43/99/1069254399.db2.gz WQNCMWYWNRINMZ-MPFGFTFXSA-N 1 3 493.740 4.426 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597898 1069254419 /nfs/dbraw/zinc/25/44/19/1069254419.db2.gz WQNCMWYWNRINMZ-MPFGFTFXSA-N 1 3 493.740 4.426 20 0 JIADHO CSC1(Cn2c(Cc3ccsc3)nnc2N2CCN(CCC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316410876 1066199875 /nfs/dbraw/zinc/19/98/75/1066199875.db2.gz ITKSEIYTDKNHRM-UHFFFAOYSA-N 1 3 490.787 4.316 20 0 JIADHO [NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849066960 1067794638 /nfs/dbraw/zinc/79/46/38/1067794638.db2.gz STMWGKHCJGYVMD-HXUWFJFHSA-N 1 3 470.459 4.054 20 0 JIADHO [NH2+]=C(NCc1cccc(C(=O)OCc2ccccc2)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000849074682 1067797294 /nfs/dbraw/zinc/79/72/94/1067797294.db2.gz KVHWQGNIPXRNCO-UHFFFAOYSA-N 1 3 456.590 4.322 20 0 JIADHO COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001300376629 1068449740 /nfs/dbraw/zinc/44/97/40/1068449740.db2.gz RODFNPJGTQEJPN-JOCHJYFZSA-N 1 3 468.671 4.285 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575305 1069226077 /nfs/dbraw/zinc/22/60/77/1069226077.db2.gz ZYRLKZWRARHFKI-SGIRGMQISA-N 1 3 487.639 4.244 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575305 1069226091 /nfs/dbraw/zinc/22/60/91/1069226091.db2.gz ZYRLKZWRARHFKI-SGIRGMQISA-N 1 3 487.639 4.244 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606731 1069264940 /nfs/dbraw/zinc/26/49/40/1069264940.db2.gz RCBCDGLPSXZIIA-WUFINQPMSA-N 1 3 471.649 4.474 20 0 JIADHO COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001315606234 1064722319 /nfs/dbraw/zinc/72/23/19/1064722319.db2.gz BITFWUUEPQVITB-QFIPXVFZSA-N 1 3 468.671 4.096 20 0 JIADHO Cc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492517510 1066372858 /nfs/dbraw/zinc/37/28/58/1066372858.db2.gz VLFGCWCHPNLLHJ-SFTDATJTSA-N 1 3 467.706 4.326 20 0 JIADHO [NH2+]=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000849058738 1067789372 /nfs/dbraw/zinc/78/93/72/1067789372.db2.gz QXKKFOINMHTHAT-UHFFFAOYSA-N 1 3 471.605 4.307 20 0 JIADHO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001300506007 1068877470 /nfs/dbraw/zinc/87/74/70/1068877470.db2.gz NADZDPKMZLTTPS-JOCHJYFZSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001300506007 1068877472 /nfs/dbraw/zinc/87/74/72/1068877472.db2.gz NADZDPKMZLTTPS-JOCHJYFZSA-N 1 3 468.671 4.239 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001492587595 1069025963 /nfs/dbraw/zinc/02/59/63/1069025963.db2.gz WMHPSDFRZLXKHY-UHFFFAOYSA-N 1 3 452.691 4.220 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575306 1069226267 /nfs/dbraw/zinc/22/62/67/1069226267.db2.gz ZYRLKZWRARHFKI-WRALFONMSA-N 1 3 487.639 4.244 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575306 1069226291 /nfs/dbraw/zinc/22/62/91/1069226291.db2.gz ZYRLKZWRARHFKI-WRALFONMSA-N 1 3 487.639 4.244 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315606240 1064722438 /nfs/dbraw/zinc/72/24/38/1064722438.db2.gz BKRHNLNNFMSSBB-QHCPKHFHSA-N 1 3 468.690 4.244 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001315606240 1064722443 /nfs/dbraw/zinc/72/24/43/1064722443.db2.gz BKRHNLNNFMSSBB-QHCPKHFHSA-N 1 3 468.690 4.244 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315630017 1064779054 /nfs/dbraw/zinc/77/90/54/1064779054.db2.gz SOMCWGYIHDNWER-QHCPKHFHSA-N 1 3 482.717 4.166 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315630017 1064779068 /nfs/dbraw/zinc/77/90/68/1064779068.db2.gz SOMCWGYIHDNWER-QHCPKHFHSA-N 1 3 482.717 4.166 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001492543802 1066668849 /nfs/dbraw/zinc/66/88/49/1066668849.db2.gz YNDDOSCAFVPMPO-QHCPKHFHSA-N 1 3 482.698 4.497 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492547599 1066932403 /nfs/dbraw/zinc/93/24/03/1066932403.db2.gz DKBLZLLGQVVRTN-QHCPKHFHSA-N 1 3 468.690 4.208 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492547599 1066932413 /nfs/dbraw/zinc/93/24/13/1066932413.db2.gz DKBLZLLGQVVRTN-QHCPKHFHSA-N 1 3 468.690 4.208 20 0 JIADHO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)cc1OC ZINC001300061932 1067567570 /nfs/dbraw/zinc/56/75/70/1067567570.db2.gz RYEMXCKHUPRVDM-OAQYLSRUSA-N 1 3 498.697 4.247 20 0 JIADHO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)cc1OC ZINC001300061932 1067567578 /nfs/dbraw/zinc/56/75/78/1067567578.db2.gz RYEMXCKHUPRVDM-OAQYLSRUSA-N 1 3 498.697 4.247 20 0 JIADHO [NH2+]=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849066609 1067794904 /nfs/dbraw/zinc/79/49/04/1067794904.db2.gz JKJGXFPDQRHBSN-UHFFFAOYSA-N 1 3 456.516 4.170 20 0 JIADHO CC(C)(C)OC(=O)NCCc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849074806 1067797606 /nfs/dbraw/zinc/79/76/06/1067797606.db2.gz ADVOUJNWOQCIHD-UHFFFAOYSA-N 1 3 465.642 4.032 20 0 JIADHO COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)N(C)C)c1 ZINC001300340139 1068321595 /nfs/dbraw/zinc/32/15/95/1068321595.db2.gz LCOAQEGVWKYZRJ-UPVQGACJSA-N 1 3 468.690 4.243 20 0 JIADHO COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001300506008 1068877645 /nfs/dbraw/zinc/87/76/45/1068877645.db2.gz NADZDPKMZLTTPS-QFIPXVFZSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001300506008 1068877647 /nfs/dbraw/zinc/87/76/47/1068877647.db2.gz NADZDPKMZLTTPS-QFIPXVFZSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300572779 1069085391 /nfs/dbraw/zinc/08/53/91/1069085391.db2.gz LDLHAJDKBYTSHH-RUZDIDTESA-N 1 3 482.717 4.166 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597899 1069254031 /nfs/dbraw/zinc/25/40/31/1069254031.db2.gz WQNCMWYWNRINMZ-NLDZOOGBSA-N 1 3 493.740 4.426 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597899 1069254036 /nfs/dbraw/zinc/25/40/36/1069254036.db2.gz WQNCMWYWNRINMZ-NLDZOOGBSA-N 1 3 493.740 4.426 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315629909 1064778936 /nfs/dbraw/zinc/77/89/36/1064778936.db2.gz QSIZEAPMXXGIND-QFIPXVFZSA-N 1 3 482.717 4.309 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315629909 1064778946 /nfs/dbraw/zinc/77/89/46/1064778946.db2.gz QSIZEAPMXXGIND-QFIPXVFZSA-N 1 3 482.717 4.309 20 0 JIADHO COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)cc1OC ZINC001300061931 1067567642 /nfs/dbraw/zinc/56/76/42/1067567642.db2.gz RYEMXCKHUPRVDM-NRFANRHFSA-N 1 3 498.697 4.247 20 0 JIADHO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)cc1OC ZINC001300061931 1067567659 /nfs/dbraw/zinc/56/76/59/1067567659.db2.gz RYEMXCKHUPRVDM-NRFANRHFSA-N 1 3 498.697 4.247 20 0 JIADHO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000849059524 1067789588 /nfs/dbraw/zinc/78/95/88/1067789588.db2.gz PODVYAGFQGWDAO-UHFFFAOYSA-N 1 3 475.593 4.170 20 0 JIADHO [NH2+]=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849061605 1067790963 /nfs/dbraw/zinc/79/09/63/1067790963.db2.gz QNXLEQGASLRYRB-QHCPKHFHSA-N 1 3 458.025 4.395 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300294814 1068111517 /nfs/dbraw/zinc/11/15/17/1068111517.db2.gz VGOGKJSTAORYAT-QDPGVEIFSA-N 1 3 498.716 4.154 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300506440 1068878724 /nfs/dbraw/zinc/87/87/24/1068878724.db2.gz ACGFMWMKNYJQIK-NRFANRHFSA-N 1 3 468.690 4.385 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300506440 1068878733 /nfs/dbraw/zinc/87/87/33/1068878733.db2.gz ACGFMWMKNYJQIK-NRFANRHFSA-N 1 3 468.690 4.385 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492586516 1069003690 /nfs/dbraw/zinc/00/36/90/1069003690.db2.gz KHCAIZPWQDQDSF-XMMPIXPASA-N 1 3 452.691 4.218 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556123 1069202207 /nfs/dbraw/zinc/20/22/07/1069202207.db2.gz VNFSIGHJTIHRLV-RRPNLBNLSA-N 1 3 477.697 4.281 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556123 1069202224 /nfs/dbraw/zinc/20/22/24/1069202224.db2.gz VNFSIGHJTIHRLV-RRPNLBNLSA-N 1 3 477.697 4.281 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606729 1069264661 /nfs/dbraw/zinc/26/46/61/1069264661.db2.gz RCBCDGLPSXZIIA-VSGBNLITSA-N 1 3 471.649 4.474 20 0 JIADHO CC(C)N(C)Cc1nn(-c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679439 719648100 /nfs/dbraw/zinc/64/81/00/719648100.db2.gz ALVVUGIBDOEVKF-UHFFFAOYSA-N 1 3 475.666 4.092 20 0 JIADHO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)N(C)C)c1 ZINC001315545883 1064551628 /nfs/dbraw/zinc/55/16/28/1064551628.db2.gz DTVVGDPDHYVLRR-DEOSSOPVSA-N 1 3 454.663 4.168 20 0 JIADHO COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)N(C)C)c1 ZINC001315545883 1064551644 /nfs/dbraw/zinc/55/16/44/1064551644.db2.gz DTVVGDPDHYVLRR-DEOSSOPVSA-N 1 3 454.663 4.168 20 0 JIADHO COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)N(C)C)c1 ZINC001315545884 1064551872 /nfs/dbraw/zinc/55/18/72/1064551872.db2.gz DTVVGDPDHYVLRR-XMMPIXPASA-N 1 3 454.663 4.168 20 0 JIADHO COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)N(C)C)c1 ZINC001315545884 1064551883 /nfs/dbraw/zinc/55/18/83/1064551883.db2.gz DTVVGDPDHYVLRR-XMMPIXPASA-N 1 3 454.663 4.168 20 0 JIADHO COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)N(C)C)c1 ZINC001315548192 1064559256 /nfs/dbraw/zinc/55/92/56/1064559256.db2.gz XMTAJZPSUDHNCH-HFZDXXHNSA-N 1 3 468.690 4.379 20 0 JIADHO COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)N(C)C)c1 ZINC001315548192 1064559271 /nfs/dbraw/zinc/55/92/71/1064559271.db2.gz XMTAJZPSUDHNCH-HFZDXXHNSA-N 1 3 468.690 4.379 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315630337 1064780711 /nfs/dbraw/zinc/78/07/11/1064780711.db2.gz ZXKUDTBYFWCGNQ-DWACAAAGSA-N 1 3 482.717 4.309 20 0 JIADHO CSC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)CC[NH+](C)CC1 ZINC001316406501 1066189398 /nfs/dbraw/zinc/18/93/98/1066189398.db2.gz FATBFMPZFXMUCE-UHFFFAOYSA-N 1 3 491.149 4.128 20 0 JIADHO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001492546779 1066852613 /nfs/dbraw/zinc/85/26/13/1066852613.db2.gz BHWDPMNQBQQNTH-UHFFFAOYSA-N 1 3 468.690 4.208 20 0 JIADHO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cc2)CC1 ZINC001351008363 1067030717 /nfs/dbraw/zinc/03/07/17/1067030717.db2.gz PEKAAWSBKDDKME-XMMPIXPASA-N 1 3 454.684 4.482 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126421 1067753676 /nfs/dbraw/zinc/75/36/76/1067753676.db2.gz NLKILJQYLBPCLD-PKTZIBPZSA-N 1 3 482.717 4.113 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126421 1067753685 /nfs/dbraw/zinc/75/36/85/1067753685.db2.gz NLKILJQYLBPCLD-PKTZIBPZSA-N 1 3 482.717 4.113 20 0 JIADHO COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)c1 ZINC001300335597 1068307538 /nfs/dbraw/zinc/30/75/38/1068307538.db2.gz UQCQKGKBYUTUEX-HSZRJFAPSA-N 1 3 498.075 4.083 20 0 JIADHO COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001300390385 1068505735 /nfs/dbraw/zinc/50/57/35/1068505735.db2.gz XMTHZZJMOIIFRH-QFIPXVFZSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300506443 1068878617 /nfs/dbraw/zinc/87/86/17/1068878617.db2.gz ACGFMWMKNYJQIK-OAQYLSRUSA-N 1 3 468.690 4.385 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300506443 1068878619 /nfs/dbraw/zinc/87/86/19/1068878619.db2.gz ACGFMWMKNYJQIK-OAQYLSRUSA-N 1 3 468.690 4.385 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518897 1069109048 /nfs/dbraw/zinc/10/90/48/1069109048.db2.gz SUSFGKFHSIOXMJ-KAYWLYCHSA-N 1 3 473.665 4.025 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575303 1069226449 /nfs/dbraw/zinc/22/64/49/1069226449.db2.gz ZYRLKZWRARHFKI-HWBMXIPRSA-N 1 3 487.639 4.244 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575303 1069226458 /nfs/dbraw/zinc/22/64/58/1069226458.db2.gz ZYRLKZWRARHFKI-HWBMXIPRSA-N 1 3 487.639 4.244 20 0 JIADHO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001315563735 1064592177 /nfs/dbraw/zinc/59/21/77/1064592177.db2.gz POPSCKNBNZTTCQ-HSZRJFAPSA-N 1 3 468.671 4.096 20 0 JIADHO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001315563736 1064592314 /nfs/dbraw/zinc/59/23/14/1064592314.db2.gz POPSCKNBNZTTCQ-QHCPKHFHSA-N 1 3 468.671 4.096 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315606436 1064722348 /nfs/dbraw/zinc/72/23/48/1064722348.db2.gz FHSWWNFYBXTLLK-QHCPKHFHSA-N 1 3 468.690 4.100 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315606436 1064722358 /nfs/dbraw/zinc/72/23/58/1064722358.db2.gz FHSWWNFYBXTLLK-QHCPKHFHSA-N 1 3 468.690 4.100 20 0 JIADHO COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001315606884 1064724073 /nfs/dbraw/zinc/72/40/73/1064724073.db2.gz NANGWGZKDZQCQS-NRFANRHFSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315630336 1064780380 /nfs/dbraw/zinc/78/03/80/1064780380.db2.gz ZXKUDTBYFWCGNQ-DFHRPNOPSA-N 1 3 482.717 4.309 20 0 JIADHO COc1cc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)ccc1OCc1cccs1 ZINC001318347616 1067027290 /nfs/dbraw/zinc/02/72/90/1067027290.db2.gz ABCQRUGSBJKQEN-UHFFFAOYSA-N 1 3 451.636 4.373 20 0 JIADHO [NH2+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849067012 1067794399 /nfs/dbraw/zinc/79/43/99/1067794399.db2.gz XNCWZVXQUDHDRX-FQEVSTJZSA-N 1 3 470.459 4.054 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300507785 1068882392 /nfs/dbraw/zinc/88/23/92/1068882392.db2.gz SXKFGRPRBBOXEV-FQEVSTJZSA-N 1 3 468.671 4.239 20 0 JIADHO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)c1 ZINC001315547220 1064556269 /nfs/dbraw/zinc/55/62/69/1064556269.db2.gz OKRVSKJBDLCFCN-RUZDIDTESA-N 1 3 468.690 4.243 20 0 JIADHO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)N(C)C)c1 ZINC001315547220 1064556286 /nfs/dbraw/zinc/55/62/86/1064556286.db2.gz OKRVSKJBDLCFCN-RUZDIDTESA-N 1 3 468.690 4.243 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315606435 1064722142 /nfs/dbraw/zinc/72/21/42/1064722142.db2.gz FHSWWNFYBXTLLK-HSZRJFAPSA-N 1 3 468.690 4.100 20 0 JIADHO COc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001315606435 1064722156 /nfs/dbraw/zinc/72/21/56/1064722156.db2.gz FHSWWNFYBXTLLK-HSZRJFAPSA-N 1 3 468.690 4.100 20 0 JIADHO [NH2+]=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000849071170 1067796684 /nfs/dbraw/zinc/79/66/84/1067796684.db2.gz PNHBABKDURKYHI-UHFFFAOYSA-N 1 3 491.558 4.405 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600414 1069256130 /nfs/dbraw/zinc/25/61/30/1069256130.db2.gz HGMSTTOWNVSSQN-KCHLEUMXSA-N 1 3 477.697 4.139 20 0 JIADHO COCC[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001316066066 1065704387 /nfs/dbraw/zinc/70/43/87/1065704387.db2.gz UDOFUALFAZJJEE-UHFFFAOYSA-N 1 3 482.717 4.276 20 0 JIADHO COCC[N@@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001316066066 1065704396 /nfs/dbraw/zinc/70/43/96/1065704396.db2.gz UDOFUALFAZJJEE-UHFFFAOYSA-N 1 3 482.717 4.276 20 0 JIADHO CCOc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1OCC(F)(F)F ZINC001200135808 1067726606 /nfs/dbraw/zinc/72/66/06/1067726606.db2.gz RGFISHOLIFBJSV-UHFFFAOYSA-N 1 3 452.517 4.273 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300294811 1068112000 /nfs/dbraw/zinc/11/20/00/1068112000.db2.gz VGOGKJSTAORYAT-FIPFOOKPSA-N 1 3 498.716 4.154 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606724 1069264470 /nfs/dbraw/zinc/26/44/70/1069264470.db2.gz RCBCDGLPSXZIIA-IZLXSDGUSA-N 1 3 471.649 4.474 20 0 JIADHO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)c1 ZINC001315547221 1064556082 /nfs/dbraw/zinc/55/60/82/1064556082.db2.gz OKRVSKJBDLCFCN-VWLOTQADSA-N 1 3 468.690 4.243 20 0 JIADHO COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)N(C)C)c1 ZINC001315547221 1064556093 /nfs/dbraw/zinc/55/60/93/1064556093.db2.gz OKRVSKJBDLCFCN-VWLOTQADSA-N 1 3 468.690 4.243 20 0 JIADHO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001492547145 1066915100 /nfs/dbraw/zinc/91/51/00/1066915100.db2.gz PKLIZOXBVPCWJU-QHCPKHFHSA-N 1 3 482.698 4.308 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300067775 1067584011 /nfs/dbraw/zinc/58/40/11/1067584011.db2.gz VDDPNHJXOFTKIH-UHFFFAOYSA-N 1 3 454.663 4.139 20 0 JIADHO COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001300335727 1068309461 /nfs/dbraw/zinc/30/94/61/1068309461.db2.gz VOESMZGWGSWARZ-QHCPKHFHSA-N 1 3 454.663 4.168 20 0 JIADHO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001300387756 1068492771 /nfs/dbraw/zinc/49/27/71/1068492771.db2.gz AWSAKXOHHBXDMQ-JOCHJYFZSA-N 1 3 468.671 4.096 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001300387756 1068492782 /nfs/dbraw/zinc/49/27/82/1068492782.db2.gz AWSAKXOHHBXDMQ-JOCHJYFZSA-N 1 3 468.671 4.096 20 0 JIADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849510099 1069091755 /nfs/dbraw/zinc/09/17/55/1069091755.db2.gz GZABYPRXTGUQGY-RTWAWAEBSA-N 1 3 480.484 4.133 20 0 JIADHO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575301 1069226363 /nfs/dbraw/zinc/22/63/63/1069226363.db2.gz ZYRLKZWRARHFKI-FBLLAGFSSA-N 1 3 487.639 4.244 20 0 JIADHO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575301 1069226376 /nfs/dbraw/zinc/22/63/76/1069226376.db2.gz ZYRLKZWRARHFKI-FBLLAGFSSA-N 1 3 487.639 4.244 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001315532391 1064519480 /nfs/dbraw/zinc/51/94/80/1064519480.db2.gz BIHURUGFZKTKAO-UHFFFAOYSA-N 1 3 484.689 4.051 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001315532391 1064519493 /nfs/dbraw/zinc/51/94/93/1064519493.db2.gz BIHURUGFZKTKAO-UHFFFAOYSA-N 1 3 484.689 4.051 20 0 JIADHO COc1cccc([C@@H](Cn2c(N3CCN(C(C)(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548457 1064560603 /nfs/dbraw/zinc/56/06/03/1064560603.db2.gz JBMNECGAKTXYLN-HSZRJFAPSA-N 1 3 468.690 4.342 20 0 JIADHO COc1cccc([C@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549480 1064564652 /nfs/dbraw/zinc/56/46/52/1064564652.db2.gz QPQRLWOYULJKAI-DEOSSOPVSA-N 1 3 468.690 4.199 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315630339 1064780805 /nfs/dbraw/zinc/78/08/05/1064780805.db2.gz ZXKUDTBYFWCGNQ-SKCUWOTOSA-N 1 3 482.717 4.309 20 0 JIADHO Cc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492517509 1066372907 /nfs/dbraw/zinc/37/29/07/1066372907.db2.gz VLFGCWCHPNLLHJ-OYRHEFFESA-N 1 3 467.706 4.326 20 0 JIADHO Cc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492517509 1066372932 /nfs/dbraw/zinc/37/29/32/1066372932.db2.gz VLFGCWCHPNLLHJ-OYRHEFFESA-N 1 3 467.706 4.326 20 0 JIADHO Cc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492517508 1066373096 /nfs/dbraw/zinc/37/30/96/1066373096.db2.gz VLFGCWCHPNLLHJ-NHCUHLMSSA-N 1 3 467.706 4.326 20 0 JIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611708 1067306408 /nfs/dbraw/zinc/30/64/08/1067306408.db2.gz SRWQPPHAOVGIDK-GOSISDBHSA-N 1 3 463.981 4.327 20 0 JIADHO [NH2+]=C(NCc1cc(Br)ccc1OC(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849072478 1067796622 /nfs/dbraw/zinc/79/66/22/1067796622.db2.gz IGZQJSSCMLGCRP-UHFFFAOYSA-N 1 3 467.358 4.329 20 0 JIADHO COc1ccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300296628 1068122794 /nfs/dbraw/zinc/12/27/94/1068122794.db2.gz LCUOKMFULLGARK-UHFFFAOYSA-N 1 3 498.716 4.298 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001300387712 1068492920 /nfs/dbraw/zinc/49/29/20/1068492920.db2.gz CWAPTSLRDUACTR-UHFFFAOYSA-N 1 3 454.663 4.139 20 0 JIADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492587611 1069026045 /nfs/dbraw/zinc/02/60/45/1069026045.db2.gz WTNCYGMIWDQWAG-UHFFFAOYSA-N 1 3 466.718 4.467 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000849515852 1069102355 /nfs/dbraw/zinc/10/23/55/1069102355.db2.gz MXHSQJUKSZWOKO-VJGNERBWSA-N 1 3 465.686 4.137 20 0 JIADHO CCCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000849515852 1069102358 /nfs/dbraw/zinc/10/23/58/1069102358.db2.gz MXHSQJUKSZWOKO-VJGNERBWSA-N 1 3 465.686 4.137 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518899 1069108705 /nfs/dbraw/zinc/10/87/05/1069108705.db2.gz SUSFGKFHSIOXMJ-RRPNLBNLSA-N 1 3 473.665 4.025 20 0 JIADHO CC(C)(C)CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001359547363 1069852656 /nfs/dbraw/zinc/85/26/56/1069852656.db2.gz MKKDFZOEUJRCHA-UHFFFAOYSA-N 1 3 470.681 4.442 20 0 JIADHO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)N(C)C)c1 ZINC001315544277 1064546261 /nfs/dbraw/zinc/54/62/61/1064546261.db2.gz CBUKSIUJRHCOCE-TVZXLZGTSA-N 1 3 498.716 4.039 20 0 JIADHO COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)N(C)C)c1 ZINC001315544277 1064546273 /nfs/dbraw/zinc/54/62/73/1064546273.db2.gz CBUKSIUJRHCOCE-TVZXLZGTSA-N 1 3 498.716 4.039 20 0 JIADHO COc1ccccc1Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315630338 1064780480 /nfs/dbraw/zinc/78/04/80/1064780480.db2.gz ZXKUDTBYFWCGNQ-RBISFHTESA-N 1 3 482.717 4.309 20 0 JIADHO COc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300067238 1067582891 /nfs/dbraw/zinc/58/28/91/1067582891.db2.gz MGAXSJPRKRRRMO-OAQYLSRUSA-N 1 3 468.671 4.239 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300126423 1067753991 /nfs/dbraw/zinc/75/39/91/1067753991.db2.gz NLKILJQYLBPCLD-XZOQPEGZSA-N 1 3 482.717 4.113 20 0 JIADHO COc1ccc(CCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300126423 1067754005 /nfs/dbraw/zinc/75/40/05/1067754005.db2.gz NLKILJQYLBPCLD-XZOQPEGZSA-N 1 3 482.717 4.113 20 0 JIADHO COc1ccccc1[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000849060566 1067790352 /nfs/dbraw/zinc/79/03/52/1067790352.db2.gz FCMQTPDCHCREQW-HSZRJFAPSA-N 1 3 481.641 4.040 20 0 JIADHO CC1(C)CN([C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000849073249 1067796951 /nfs/dbraw/zinc/79/69/51/1067796951.db2.gz ZEALICAEAHUSLW-VWLOTQADSA-N 1 3 484.088 4.270 20 0 JIADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492994 1069061792 /nfs/dbraw/zinc/06/17/92/1069061792.db2.gz IGARZWUGSJJDDX-IZLXSDGUSA-N 1 3 471.649 4.035 20 0 JIADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849510097 1069091839 /nfs/dbraw/zinc/09/18/39/1069091839.db2.gz GZABYPRXTGUQGY-LEWJYISDSA-N 1 3 480.484 4.133 20 0 JIADHO CC(C)(C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001359511842 1069791148 /nfs/dbraw/zinc/79/11/48/1069791148.db2.gz BXELKKQFSDTDHB-UHFFFAOYSA-N 1 3 481.733 4.099 20 0 JIADHO CC(C)(C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001359511842 1069791170 /nfs/dbraw/zinc/79/11/70/1069791170.db2.gz BXELKKQFSDTDHB-UHFFFAOYSA-N 1 3 481.733 4.099 20 0 JIADHO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 ZINC001359546399 1069850485 /nfs/dbraw/zinc/85/04/85/1069850485.db2.gz DGOZBUVJUDFOQK-UHFFFAOYSA-N 1 3 457.066 4.419 20 0 JIADHO COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001315548032 1064558393 /nfs/dbraw/zinc/55/83/93/1064558393.db2.gz WWMPHZIFFMRECN-XMMPIXPASA-N 1 3 468.690 4.243 20 0 JIADHO COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)N(C)C)c1 ZINC001300340135 1068321784 /nfs/dbraw/zinc/32/17/84/1068321784.db2.gz LCOAQEGVWKYZRJ-ISKFKSNPSA-N 1 3 468.690 4.243 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300390204 1068503903 /nfs/dbraw/zinc/50/39/03/1068503903.db2.gz UDWUWIOIZQNSJZ-QFIPXVFZSA-N 1 3 468.690 4.242 20 0 JIADHO COc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300390204 1068503924 /nfs/dbraw/zinc/50/39/24/1068503924.db2.gz UDWUWIOIZQNSJZ-QFIPXVFZSA-N 1 3 468.690 4.242 20 0 JIADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849510098 1069091874 /nfs/dbraw/zinc/09/18/74/1069091874.db2.gz GZABYPRXTGUQGY-NHCUHLMSSA-N 1 3 480.484 4.133 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597900 1069253950 /nfs/dbraw/zinc/25/39/50/1069253950.db2.gz WQNCMWYWNRINMZ-SSBOKUKZSA-N 1 3 493.740 4.426 20 0 JIADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597900 1069253961 /nfs/dbraw/zinc/25/39/61/1069253961.db2.gz WQNCMWYWNRINMZ-SSBOKUKZSA-N 1 3 493.740 4.426 20 0 JIADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600412 1069256445 /nfs/dbraw/zinc/25/64/45/1069256445.db2.gz HGMSTTOWNVSSQN-IARZGTGTSA-N 1 3 477.697 4.139 20 0 JIADHO