smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164391750 718824558 /nfs/dbraw/zinc/82/45/58/718824558.db2.gz WXAZVKZFJQANEM-ROUUACIJSA-N 1 0 427.618 3.123 20 0 IGADRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164415776 718887565 /nfs/dbraw/zinc/88/75/65/718887565.db2.gz ATFASUTYXOVERR-PIGZYNQJSA-N 1 0 429.254 3.223 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164616731 719007168 /nfs/dbraw/zinc/00/71/68/719007168.db2.gz LKWRFHPPFWOWKZ-SCLBCKFNSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(OC)nc1Cl)C2 ZINC001164616521 719008744 /nfs/dbraw/zinc/00/87/44/719008744.db2.gz KXQIDQPGXPLWNU-FOIQADDNSA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164615661 719015331 /nfs/dbraw/zinc/01/53/31/719015331.db2.gz JMYYXJHUXWRHMA-ICCXJUOJSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614743 719017412 /nfs/dbraw/zinc/01/74/12/719017412.db2.gz GHNJHTRYPJAGAQ-SQNIBIBYSA-N 1 0 443.617 3.024 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164618851 719019583 /nfs/dbraw/zinc/01/95/83/719019583.db2.gz UBWKXJFNSCPDMZ-WBAXXEDZSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614571 719022208 /nfs/dbraw/zinc/02/22/08/719022208.db2.gz VDELENJGBCLKNU-UHFFFAOYSA-N 1 0 437.968 3.464 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)CC1 ZINC001164617900 719033335 /nfs/dbraw/zinc/03/33/35/719033335.db2.gz PAKOXPJMUIGFDC-UHFFFAOYSA-N 1 0 435.572 3.271 20 0 IGADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164620151 719044582 /nfs/dbraw/zinc/04/45/82/719044582.db2.gz FMGZQKRCYMNLEJ-DYESRHJHSA-N 1 0 449.933 3.095 20 0 IGADRO CCOC(=O)C1CCN(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)CC1 ZINC001164629068 719087468 /nfs/dbraw/zinc/08/74/68/719087468.db2.gz QTFGMHYFBSATJF-XZOQPEGZSA-N 1 0 449.599 3.357 20 0 IGADRO CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2)C1=O ZINC001164630414 719100714 /nfs/dbraw/zinc/10/07/14/719100714.db2.gz WEWLGCQUXFVYED-NHCUHLMSSA-N 1 0 433.556 3.013 20 0 IGADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164675190 719441619 /nfs/dbraw/zinc/44/16/19/719441619.db2.gz ZMXNDFCLNPVMDT-ZWKOTPCHSA-N 1 0 427.618 3.075 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)COC(=O)Nc2cccnc2Cl)c2c1CC[NH2+]C2 ZINC001164679624 719650089 /nfs/dbraw/zinc/65/00/89/719650089.db2.gz IVGCINWFRKZTMJ-UHFFFAOYSA-N 1 0 442.898 3.215 20 0 IGADRO CSc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686823 719679259 /nfs/dbraw/zinc/67/92/59/719679259.db2.gz XEENXUWFLBORRH-SFHVURJKSA-N 1 0 439.629 3.292 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccc(OC)c3)nc3ccccc31)CC2 ZINC001164689845 719747404 /nfs/dbraw/zinc/74/74/04/719747404.db2.gz LSCATZPJMXEDCX-UHFFFAOYSA-N 1 0 445.567 3.486 20 0 IGADRO O=C1C[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1Cc1cccnc1 ZINC001164691058 719765441 /nfs/dbraw/zinc/76/54/41/719765441.db2.gz KQOGXBLAKPNRRY-JWQCQUIFSA-N 1 0 439.563 3.415 20 0 IGADRO CCOC(=O)c1nnc(SC)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692576 719806535 /nfs/dbraw/zinc/80/65/35/719806535.db2.gz JVIRHJJZPDYJPO-UHFFFAOYSA-N 1 0 448.618 3.170 20 0 IGADRO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc12 ZINC001164695268 719889853 /nfs/dbraw/zinc/88/98/53/719889853.db2.gz KOPGHVNVTSMUKW-UHFFFAOYSA-N 1 0 426.542 3.282 20 0 IGADRO COCCn1ccc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698401 719893713 /nfs/dbraw/zinc/89/37/13/719893713.db2.gz SHIUBFDEYBMVTP-UHFFFAOYSA-N 1 0 427.574 3.011 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164813075 720091092 /nfs/dbraw/zinc/09/10/92/720091092.db2.gz SDKYRFXAKYIHJY-QRWLVFNGSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(C(=O)OC)n1)CC2 ZINC001164719678 720116320 /nfs/dbraw/zinc/11/63/20/720116320.db2.gz ZWXIXUKCQVNWRA-SFHVURJKSA-N 1 0 444.963 3.424 20 0 IGADRO CCOC(=O)c1cc(C)cnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164718649 720118697 /nfs/dbraw/zinc/11/86/97/720118697.db2.gz UIQFNQGKTAHPJL-NRFANRHFSA-N 1 0 438.572 3.469 20 0 IGADRO CCOC(=O)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncc1C ZINC001164717381 720121949 /nfs/dbraw/zinc/12/19/49/720121949.db2.gz OCSPDZXCVKWQPB-OAQYLSRUSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(N3CCCCC3)n1)CC2 ZINC001164714158 720128460 /nfs/dbraw/zinc/12/84/60/720128460.db2.gz WMYBDFHKTAEMGC-QFIPXVFZSA-N 1 0 436.604 3.369 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(N3CCCCC3)n1)CC2 ZINC001164711741 720138380 /nfs/dbraw/zinc/13/83/80/720138380.db2.gz JDKDWXVVNWAKHO-QFIPXVFZSA-N 1 0 436.604 3.369 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164714790 720144980 /nfs/dbraw/zinc/14/49/80/720144980.db2.gz ZBXCSYVEMBEOGV-OAQYLSRUSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164714394 720148536 /nfs/dbraw/zinc/14/85/36/720148536.db2.gz WVWXNVABNHKWOU-NRFANRHFSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164818010 720153255 /nfs/dbraw/zinc/15/32/55/720153255.db2.gz REPNNYZTXQZADO-OXQOHEQNSA-N 1 0 437.922 3.408 20 0 IGADRO CCOC(=O)Cc1ccnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164715083 720156322 /nfs/dbraw/zinc/15/63/22/720156322.db2.gz SNWPMFUZQAZCGT-JOCHJYFZSA-N 1 0 438.572 3.090 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)C2 ZINC001164817382 720181952 /nfs/dbraw/zinc/18/19/52/720181952.db2.gz PDWRPKORYSMPPU-UQBPGWFLSA-N 1 0 438.572 3.346 20 0 IGADRO Cc1nc2c3ccccc3oc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716629 720189052 /nfs/dbraw/zinc/18/90/52/720189052.db2.gz QHPCTWYXLQDWGR-LJQANCHMSA-N 1 0 447.543 3.029 20 0 IGADRO Cc1nc(C2CCCCC2)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164713735 720194367 /nfs/dbraw/zinc/19/43/67/720194367.db2.gz CTXGHVODOVXSFQ-QFIPXVFZSA-N 1 0 439.608 3.177 20 0 IGADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716172 720205282 /nfs/dbraw/zinc/20/52/82/720205282.db2.gz AUIOKHKJEUJYQH-SFHVURJKSA-N 1 0 445.999 3.051 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3ccc(F)cc31)CCC2 ZINC001164812901 720242157 /nfs/dbraw/zinc/24/21/57/720242157.db2.gz KDHYDKMQHITMIU-UHFFFAOYSA-N 1 0 430.915 3.230 20 0 IGADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164818298 720287749 /nfs/dbraw/zinc/28/77/49/720287749.db2.gz KCTMQTADAAZSEK-WOJBJXKFSA-N 1 0 443.979 3.203 20 0 IGADRO COc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164826729 720312362 /nfs/dbraw/zinc/31/23/62/720312362.db2.gz WISLXGWFFITLNR-WOJBJXKFSA-N 1 0 443.979 3.203 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2n1 ZINC001164832878 720321436 /nfs/dbraw/zinc/32/14/36/720321436.db2.gz UNWHJMQJZMTVMU-ZWKOTPCHSA-N 1 0 443.979 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2ccn3C2CCCC2)CC1 ZINC001164823890 720322588 /nfs/dbraw/zinc/32/25/88/720322588.db2.gz BODVLZAUKPYLFK-VXKWHMMOSA-N 1 0 436.604 3.458 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)COc2cccc(Cl)n2)CC1 ZINC001164832382 720326793 /nfs/dbraw/zinc/32/67/93/720326793.db2.gz SULMWKYBOGMRRY-SJORKVTESA-N 1 0 442.938 3.114 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831962 720329075 /nfs/dbraw/zinc/32/90/75/720329075.db2.gz SMKVAFNDTZTROU-XZOQPEGZSA-N 1 0 435.572 3.064 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(Oc3cccc(F)c3)n2)CC1 ZINC001164823812 720332292 /nfs/dbraw/zinc/33/22/92/720332292.db2.gz BIQYFHYQVMKLQR-NHCUHLMSSA-N 1 0 439.535 3.320 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(Oc3ccc(F)cc3)n2)CC1 ZINC001164829758 720344179 /nfs/dbraw/zinc/34/41/79/720344179.db2.gz UHXHSEWNUQPBNK-SFTDATJTSA-N 1 0 439.535 3.320 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001164822336 720344739 /nfs/dbraw/zinc/34/47/39/720344739.db2.gz DHUJPVFVCCMDAR-NHCUHLMSSA-N 1 0 441.526 3.333 20 0 IGADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccsc2)n1 ZINC001164821760 720344852 /nfs/dbraw/zinc/34/48/52/720344852.db2.gz BSWGWXZVNZNSMU-WOJBJXKFSA-N 1 0 425.602 3.425 20 0 IGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164832397 720508000 /nfs/dbraw/zinc/50/80/00/720508000.db2.gz ANVCVBOONWODQO-YQVWRLOYSA-N 1 0 431.968 3.486 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CSCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841755 720517323 /nfs/dbraw/zinc/51/73/23/720517323.db2.gz ZZFCNGXFBHHNAD-JTDSTZFVSA-N 1 0 433.025 3.494 20 0 IGADRO COc1ccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC001164736236 720533809 /nfs/dbraw/zinc/53/38/09/720533809.db2.gz WGJPMHOVLWYUIC-OAHLLOKOSA-N 1 0 428.924 3.325 20 0 IGADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164834969 720545101 /nfs/dbraw/zinc/54/51/01/720545101.db2.gz GCYVRHCGWVUZEQ-TXTKFYIRSA-N 1 0 448.571 3.381 20 0 IGADRO Fc1ccc(Oc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1 ZINC001164729706 720571607 /nfs/dbraw/zinc/57/16/07/720571607.db2.gz UDPLWUNRKRBIAS-UHFFFAOYSA-N 1 0 443.914 3.311 20 0 IGADRO Cc1ccc(-c2nc3c(ncnc3N3CCc4ncc(C[NH+]5CCCC5)n4CC3)o2)cc1 ZINC001164736273 720584608 /nfs/dbraw/zinc/58/46/08/720584608.db2.gz GGSHTHVJNDOWIF-UHFFFAOYSA-N 1 0 429.528 3.448 20 0 IGADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1OC ZINC001164843102 720587336 /nfs/dbraw/zinc/58/73/36/720587336.db2.gz WJAXPIIAZGRQGW-JFIYKMOQSA-N 1 0 447.967 3.105 20 0 IGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164838199 720717853 /nfs/dbraw/zinc/71/78/53/720717853.db2.gz HDXSGBDGHANWDI-JOCHJYFZSA-N 1 0 449.599 3.409 20 0 IGADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738905 720774457 /nfs/dbraw/zinc/77/44/57/720774457.db2.gz GYEXXMRSCRMSRJ-SJORKVTESA-N 1 0 426.883 3.068 20 0 IGADRO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164741875 720780569 /nfs/dbraw/zinc/78/05/69/720780569.db2.gz NGAYRIOUFHXUAL-JKSUJKDBSA-N 1 0 426.883 3.068 20 0 IGADRO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740709 720802902 /nfs/dbraw/zinc/80/29/02/720802902.db2.gz AFIBAXAIGFCHRT-IRXDYDNUSA-N 1 0 438.919 3.363 20 0 IGADRO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745453 720814382 /nfs/dbraw/zinc/81/43/82/720814382.db2.gz KKCQGVPJKVKGFV-RIFZZMRRSA-N 1 0 441.942 3.393 20 0 IGADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738788 720820907 /nfs/dbraw/zinc/82/09/07/720820907.db2.gz GNCWLIOVBBZFIV-IXDOHACOSA-N 1 0 438.910 3.131 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@@H]32)nc1 ZINC001164848844 720822798 /nfs/dbraw/zinc/82/27/98/720822798.db2.gz NKVWGKLJAMYJJF-MLNNCEHLSA-N 1 0 428.577 3.309 20 0 IGADRO Fc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164741555 720825585 /nfs/dbraw/zinc/82/55/85/720825585.db2.gz NXGQRVOKWLMURO-UWWQBHOKSA-N 1 0 440.901 3.390 20 0 IGADRO CCc1c(Cl)nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1CC ZINC001164743292 720830033 /nfs/dbraw/zinc/83/00/33/720830033.db2.gz RYAOIVSEEREMPN-MBOZVWFJSA-N 1 0 430.000 3.226 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164748327 720838803 /nfs/dbraw/zinc/83/88/03/720838803.db2.gz UEUQAUIYFAEHCN-ZFGGDYGUSA-N 1 0 445.571 3.123 20 0 IGADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740013 720845180 /nfs/dbraw/zinc/84/51/80/720845180.db2.gz BMWQZTRJGFOWKP-RCCFBDPRSA-N 1 0 425.968 3.496 20 0 IGADRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164742481 720845266 /nfs/dbraw/zinc/84/52/66/720845266.db2.gz GSDYXLHRKXZCMS-AOHZBQACSA-N 1 0 429.572 3.423 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164745156 720846708 /nfs/dbraw/zinc/84/67/08/720846708.db2.gz LWFDSCZXVQFHRZ-YZUZCNPQSA-N 1 0 445.571 3.123 20 0 IGADRO Fc1ccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164745915 720850470 /nfs/dbraw/zinc/85/04/70/720850470.db2.gz 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COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164873578 721175212 /nfs/dbraw/zinc/17/52/12/721175212.db2.gz IQXCCFYJYOWXGA-REWPJTCUSA-N 1 0 447.539 3.461 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164772339 721180554 /nfs/dbraw/zinc/18/05/54/721180554.db2.gz SJCHWWDZBSRMGJ-KGLIPLIRSA-N 1 0 431.318 3.106 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]ccc43)C2)C1 ZINC001164776360 721331498 /nfs/dbraw/zinc/33/14/98/721331498.db2.gz DYNCMSRWOVYQPN-OAQYLSRUSA-N 1 0 430.940 3.335 20 0 IGADRO CSc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888066 721388030 /nfs/dbraw/zinc/38/80/30/721388030.db2.gz JFFCYHSGOZOQPC-IERDGZPVSA-N 1 0 433.647 3.179 20 0 IGADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888344 721401171 /nfs/dbraw/zinc/40/11/71/721401171.db2.gz OKBYGDDENMHGBM-FDDCHVKYSA-N 1 0 429.996 3.357 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164888333 721407533 /nfs/dbraw/zinc/40/75/33/721407533.db2.gz OGGBPZBWCIMFAI-ZJSXRUAMSA-N 1 0 425.552 3.048 20 0 IGADRO CCOC(=O)c1cc2c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164781722 721416446 /nfs/dbraw/zinc/41/64/46/721416446.db2.gz DERPGEHYPSLUET-HOTGVXAUSA-N 1 0 425.558 3.381 20 0 IGADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886281 721421265 /nfs/dbraw/zinc/42/12/65/721421265.db2.gz IPSBFXKMQKEMMO-FXAWDEMLSA-N 1 0 428.955 3.354 20 0 IGADRO Cc1nc2c3ccccc3oc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884009 721421853 /nfs/dbraw/zinc/42/18/53/721421853.db2.gz CXOZDJWSYGGZTG-CLOONOSVSA-N 1 0 435.572 3.450 20 0 IGADRO Cc1nc2c3ccccc3oc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884015 721422211 /nfs/dbraw/zinc/42/22/11/721422211.db2.gz CXOZDJWSYGGZTG-KBMIEXCESA-N 1 0 435.572 3.450 20 0 IGADRO Cc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164892353 721425335 /nfs/dbraw/zinc/42/53/35/721425335.db2.gz IFJVIJKFQZGPCE-WZONZLPQSA-N 1 0 429.996 3.357 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(F)cc5ncnc(Cl)c54)C3)O2)CC1 ZINC001164892362 721428661 /nfs/dbraw/zinc/42/86/61/721428661.db2.gz IGVOPBSYAMKHRQ-HTAPYJJXSA-N 1 0 433.959 3.188 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc5nc(Cl)cnc5cc4F)C3)O2)CC1 ZINC001164891777 721439797 /nfs/dbraw/zinc/43/97/97/721439797.db2.gz HKMTWFFJKPGFEH-AOMKIAJQSA-N 1 0 433.959 3.188 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccncc31)CC2 ZINC001164785208 721452450 /nfs/dbraw/zinc/45/24/50/721452450.db2.gz HGXBPFRQPNRVRX-GOSISDBHSA-N 1 0 445.995 3.412 20 0 IGADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889710 721453467 /nfs/dbraw/zinc/45/34/67/721453467.db2.gz PLVGBYRCHBEEGS-XLNZFTOWSA-N 1 0 426.609 3.237 20 0 IGADRO 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ZINC001164798246 721516656 /nfs/dbraw/zinc/51/66/56/721516656.db2.gz QPPOYOLLJCSETH-UHFFFAOYSA-N 1 0 446.933 3.397 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(C4CCCCC4)n2)CC3)CC1 ZINC001164795335 721521961 /nfs/dbraw/zinc/52/19/61/721521961.db2.gz MZSQOONCQHISNX-UHFFFAOYSA-N 1 0 430.000 3.142 20 0 IGADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1Cl ZINC001164805506 721531146 /nfs/dbraw/zinc/53/11/46/721531146.db2.gz LYMMUGOBXKNGPX-SVFBPWRDSA-N 1 0 430.936 3.175 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809437 721544330 /nfs/dbraw/zinc/54/43/30/721544330.db2.gz UPMNUBOSRDLLCG-LQBOVUBWSA-N 1 0 444.963 3.483 20 0 IGADRO COC(=O)c1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ccc2c1 ZINC001164804588 721548131 /nfs/dbraw/zinc/54/81/31/721548131.db2.gz KOPFAIJVRONYSN-FIXSFTCYSA-N 1 0 432.524 3.285 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164804559 721552852 /nfs/dbraw/zinc/55/28/52/721552852.db2.gz KHFAYSKFIAGRPE-DYXWJJEUSA-N 1 0 444.963 3.483 20 0 IGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)COc4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164903548 721553345 /nfs/dbraw/zinc/55/33/45/721553345.db2.gz CFLPCBYLAUUYIP-GOEBONIOSA-N 1 0 428.842 3.078 20 0 IGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)CC[N@@H+]3C2)c1 ZINC001164911063 721562172 /nfs/dbraw/zinc/56/21/72/721562172.db2.gz YHFGKRWYOMIASH-GXTWGEPZSA-N 1 0 435.290 3.208 20 0 IGADRO CC(C)c1nc(N(C)C)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908549 721710842 /nfs/dbraw/zinc/71/08/42/721710842.db2.gz XWIMCQRYTJZJBK-NRFANRHFSA-N 1 0 431.535 3.194 20 0 IGADRO CNC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904156 721712757 /nfs/dbraw/zinc/71/27/57/721712757.db2.gz AHWQHFIXHXBKAG-HXUWFJFHSA-N 1 0 435.906 3.227 20 0 IGADRO COc1cnc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904256 721718803 /nfs/dbraw/zinc/71/88/03/721718803.db2.gz AYLPKIZDMCXPOH-OAQYLSRUSA-N 1 0 426.471 3.166 20 0 IGADRO FC1(F)CCN(c2cc(N3CCSCC3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913103 721731681 /nfs/dbraw/zinc/73/16/81/721731681.db2.gz SSROITUTCQPGJH-OAQYLSRUSA-N 1 0 446.571 3.163 20 0 IGADRO CCOC(=O)c1cnc(CC)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913156 721732869 /nfs/dbraw/zinc/73/28/69/721732869.db2.gz UMYDSGIORSJWTH-JOCHJYFZSA-N 1 0 445.514 3.348 20 0 IGADRO F[C@@H](Oc1cncc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911240 721733675 /nfs/dbraw/zinc/73/36/75/721733675.db2.gz JFONKRGRPRILSH-QZTJIDSGSA-N 1 0 427.858 3.390 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC001165011317 721745784 /nfs/dbraw/zinc/74/57/84/721745784.db2.gz VIBPSCBTNZJIKJ-UHFFFAOYSA-N 1 0 436.585 3.276 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025415 721800335 /nfs/dbraw/zinc/80/03/35/721800335.db2.gz NZPKHJXKUOMJBO-ZYSHUDEJSA-N 1 0 429.952 3.439 20 0 IGADRO COC(=O)c1cc2c(OC)[nH]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc-2n1 ZINC001165027085 721811084 /nfs/dbraw/zinc/81/10/84/721811084.db2.gz SARAZBPAYUIDJS-DKZVUGQWSA-N 1 0 449.555 3.490 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@H]21 ZINC001165021440 721821693 /nfs/dbraw/zinc/82/16/93/721821693.db2.gz FPVJBFFPRCVBNW-KBAYOESNSA-N 1 0 434.993 3.270 20 0 IGADRO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc2C1 ZINC001165026359 721831790 /nfs/dbraw/zinc/83/17/90/721831790.db2.gz PCRYBFLJMVTCFP-OQZHBAMCSA-N 1 0 449.599 3.277 20 0 IGADRO CCOC(=O)c1cc(Cl)nnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021517 721839289 /nfs/dbraw/zinc/83/92/89/721839289.db2.gz NJXXNXXYGDGMIS-UHFFFAOYSA-N 1 0 448.951 3.425 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2ncn3C)CC1 ZINC001165021548 721840064 /nfs/dbraw/zinc/84/00/64/721840064.db2.gz OCTKJDLAUGZXCX-UHFFFAOYSA-N 1 0 430.940 3.135 20 0 IGADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CC[NH+](C2CCCC2)CC1 ZINC001165032244 721859084 /nfs/dbraw/zinc/85/90/84/721859084.db2.gz NUOQCHANTXCZOJ-OAQYLSRUSA-N 1 0 436.963 3.057 20 0 IGADRO c1cnc(-c2nc3sc4c(c3c(N3CC[NH+](C[C@@H]5CCCO5)CC3)n2)CCCC4)cn1 ZINC000060858339 721921084 /nfs/dbraw/zinc/92/10/84/721921084.db2.gz NKLYXECXWLJNCP-INIZCTEOSA-N 1 0 436.585 3.328 20 0 IGADRO CC[C@H]1C(=O)N(C)c2cnc(N(C)CC3CC[NH+](C)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165043191 721935934 /nfs/dbraw/zinc/93/59/34/721935934.db2.gz PVTDADLLNPHNMN-SJORKVTESA-N 1 0 436.551 3.004 20 0 IGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c21 ZINC001165041922 721952024 /nfs/dbraw/zinc/95/20/24/721952024.db2.gz BZIMUASLRTZUFC-UHFFFAOYSA-N 1 0 445.523 3.260 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)nc1 ZINC001164952742 722010817 /nfs/dbraw/zinc/01/08/17/722010817.db2.gz AYVOMEQFLLYTOT-YZUZCNPQSA-N 1 0 429.609 3.418 20 0 IGADRO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963815 722057282 /nfs/dbraw/zinc/05/72/82/722057282.db2.gz MGHNWGOCMSWYMU-UHFFFAOYSA-N 1 0 446.555 3.061 20 0 IGADRO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164961651 722057646 /nfs/dbraw/zinc/05/76/46/722057646.db2.gz NQKDRLPNTYICJU-XQRVVYSFSA-N 1 0 436.556 3.172 20 0 IGADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983999 722101595 /nfs/dbraw/zinc/10/15/95/722101595.db2.gz RMQGEWAMBMGMQP-GJZGRUSLSA-N 1 0 444.313 3.451 20 0 IGADRO COCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164976346 722102650 /nfs/dbraw/zinc/10/26/50/722102650.db2.gz CQJQERGSVJWJPC-ISKFKSNPSA-N 1 0 445.567 3.412 20 0 IGADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983219 722108865 /nfs/dbraw/zinc/10/88/65/722108865.db2.gz YNDYVIPFEPJWCZ-WMZOPIPTSA-N 1 0 429.952 3.018 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccnc4C4SCCCS4)CC[C@@H]3C2)c1 ZINC001164979768 722109145 /nfs/dbraw/zinc/10/91/45/722109145.db2.gz PVJBUINXICLJEC-MOPGFXCFSA-N 1 0 443.642 3.468 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccnc4C4SCCCS4)CC[C@H]3C2)c1 ZINC001164979769 722109332 /nfs/dbraw/zinc/10/93/32/722109332.db2.gz PVJBUINXICLJEC-OALUTQOASA-N 1 0 443.642 3.468 20 0 IGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975705 722111046 /nfs/dbraw/zinc/11/10/46/722111046.db2.gz KKJBLZMXLCKAOP-UTKZUKDTSA-N 1 0 439.947 3.414 20 0 IGADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979226 722111221 /nfs/dbraw/zinc/11/12/21/722111221.db2.gz PQWABNJBLSFCFN-GGAORHGYSA-N 1 0 432.524 3.144 20 0 IGADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979562 722129987 /nfs/dbraw/zinc/12/99/87/722129987.db2.gz LFBSZILPCQVMNT-NFBKMPQASA-N 1 0 432.524 3.144 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975233 722144550 /nfs/dbraw/zinc/14/45/50/722144550.db2.gz GDGHMLCIXPJPPQ-URXFXBBRSA-N 1 0 431.540 3.275 20 0 IGADRO COC(=O)c1cc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980257 722144813 /nfs/dbraw/zinc/14/48/13/722144813.db2.gz MFZYUVPKVRFQJX-NZQKXSOJSA-N 1 0 432.524 3.144 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@@H]3C2)c1 ZINC001164985497 722149522 /nfs/dbraw/zinc/14/95/22/722149522.db2.gz ZQZGBWZKPWXCFG-QPPBQGQZSA-N 1 0 442.567 3.150 20 0 IGADRO COC(=O)c1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164977099 722149744 /nfs/dbraw/zinc/14/97/44/722149744.db2.gz ISHDQROOVMDSNJ-XXBNENTESA-N 1 0 432.524 3.144 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]32)cs1 ZINC001164990904 722186488 /nfs/dbraw/zinc/18/64/88/722186488.db2.gz SIBCNIBHPPQXMF-FCHUYYIVSA-N 1 0 427.618 3.312 20 0 IGADRO CCOC(=O)N1CCc2nnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164997196 722208544 /nfs/dbraw/zinc/20/85/44/722208544.db2.gz WZXXYYMQUXJCPD-DEOSSOPVSA-N 1 0 439.535 3.375 20 0 IGADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]2C1 ZINC001164994314 722214709 /nfs/dbraw/zinc/21/47/09/722214709.db2.gz ALRJLLFZQVSDIU-QPTUXGOLSA-N 1 0 434.584 3.148 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)cc(Cl)n1)CCC2 ZINC001165000223 722250953 /nfs/dbraw/zinc/25/09/53/722250953.db2.gz MIVFQKYSABNSIT-UHFFFAOYSA-N 1 0 435.306 3.013 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CCC2 ZINC001165001856 722253892 /nfs/dbraw/zinc/25/38/92/722253892.db2.gz HKVBSMFTKQLXMP-UHFFFAOYSA-N 1 0 438.910 3.446 20 0 IGADRO [NH3+]CC1(F)CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001164391694 718813462 /nfs/dbraw/zinc/81/34/62/718813462.db2.gz HIGFQCVPGUGUPY-UHFFFAOYSA-N 1 0 441.576 3.458 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164391153 718824462 /nfs/dbraw/zinc/82/44/62/718824462.db2.gz SWSYXEQBIKXTKG-NZSAHSFTSA-N 1 0 441.645 3.369 20 0 IGADRO Cc1ccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164416385 718886072 /nfs/dbraw/zinc/88/60/72/718886072.db2.gz VUJUARZQIVEGNT-UHFFFAOYSA-N 1 0 445.905 3.341 20 0 IGADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164426127 718913719 /nfs/dbraw/zinc/91/37/19/718913719.db2.gz WTRMIJOTBLSCNI-KRWDZBQOSA-N 1 0 433.286 3.067 20 0 IGADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164426128 718914408 /nfs/dbraw/zinc/91/44/08/718914408.db2.gz WTRMIJOTBLSCNI-QGZVFWFLSA-N 1 0 433.286 3.067 20 0 IGADRO FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424730 718915642 /nfs/dbraw/zinc/91/56/42/718915642.db2.gz OZDKDTBVCHSJAH-FQEVSTJZSA-N 1 0 439.890 3.412 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164616719 719006935 /nfs/dbraw/zinc/00/69/35/719006935.db2.gz LKWRFHPPFWOWKZ-ACJLOTCBSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164619851 719007158 /nfs/dbraw/zinc/00/71/58/719007158.db2.gz XEIJEOBSCDMBSJ-AUUYWEPGSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164614214 719007797 /nfs/dbraw/zinc/00/77/97/719007797.db2.gz DHRVDLADYIQQCU-XIKOKIGWSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164618669 719009395 /nfs/dbraw/zinc/00/93/95/719009395.db2.gz SENFBUYJGCJNEI-IFXJQAMLSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164614325 719015092 /nfs/dbraw/zinc/01/50/92/719015092.db2.gz FAKZUPMTVUJDMT-BIGNPOOSSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164615662 719015451 /nfs/dbraw/zinc/01/54/51/719015451.db2.gz JMYYXJHUXWRHMA-JIMOISOXSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)CC2)CC1 ZINC001164617447 719031351 /nfs/dbraw/zinc/03/13/51/719031351.db2.gz KHINIPTYCQRZNV-LJQANCHMSA-N 1 0 442.604 3.198 20 0 IGADRO Fc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164646274 719296568 /nfs/dbraw/zinc/29/65/68/719296568.db2.gz ACMAFIQQWAMJAW-ISKFKSNPSA-N 1 0 426.536 3.102 20 0 IGADRO CC[C@H]1C(=O)N(C)c2cnc(N3CC[NH+](CC(C)C)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164657558 719336009 /nfs/dbraw/zinc/33/60/09/719336009.db2.gz RKUKGDWFBLPGDS-SJORKVTESA-N 1 0 436.551 3.004 20 0 IGADRO CC(C)N(C)Cc1nn(-c2ncc(C(=O)NC3CCCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680231 719641288 /nfs/dbraw/zinc/64/12/88/719641288.db2.gz SUNNQTDLHYLKMT-UHFFFAOYSA-N 1 0 430.984 3.079 20 0 IGADRO COCc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681410 719664060 /nfs/dbraw/zinc/66/40/60/719664060.db2.gz NYRCCOGOEXEDAJ-NRFANRHFSA-N 1 0 436.600 3.321 20 0 IGADRO CSc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164681199 719677219 /nfs/dbraw/zinc/67/72/19/719677219.db2.gz KMORGNHVMPJVTJ-SFHVURJKSA-N 1 0 439.629 3.292 20 0 IGADRO [O-][n+]1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1Cl ZINC001164706802 719909583 /nfs/dbraw/zinc/90/95/83/719909583.db2.gz KNAKCVQJQJERBA-UHFFFAOYSA-N 1 0 429.920 3.451 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@H]3C2)nc1 ZINC001164704186 719924540 /nfs/dbraw/zinc/92/45/40/719924540.db2.gz OPJVANAPMRASRS-WZYRSQIMSA-N 1 0 442.604 3.271 20 0 IGADRO CCOC(=O)c1sc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2c1C ZINC001164806433 720068807 /nfs/dbraw/zinc/06/88/07/720068807.db2.gz CSUPREQOMKIWHF-GAJHUEQPSA-N 1 0 444.601 3.361 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164805885 720077774 /nfs/dbraw/zinc/07/77/74/720077774.db2.gz AIZFDISIJIQZAZ-CJFMBICVSA-N 1 0 426.605 3.329 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164712108 720094724 /nfs/dbraw/zinc/09/47/24/720094724.db2.gz VOGWCTMDHRUCDT-QFIPXVFZSA-N 1 0 449.599 3.220 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C)nc(Cl)nc1OC)CC2 ZINC001164719573 720117339 /nfs/dbraw/zinc/11/73/39/720117339.db2.gz ZHEVHNCJJMLUBB-GOSISDBHSA-N 1 0 431.968 3.350 20 0 IGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164815920 720128153 /nfs/dbraw/zinc/12/81/53/720128153.db2.gz XKYXMPKCULBRIH-XXBNENTESA-N 1 0 435.012 3.402 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164714572 720130032 /nfs/dbraw/zinc/13/00/32/720130032.db2.gz XIAUOCPHAFTSSJ-HSZRJFAPSA-N 1 0 449.599 3.220 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164819741 720154607 /nfs/dbraw/zinc/15/46/07/720154607.db2.gz XYKFVCPDNMXPHO-JXFKEZNVSA-N 1 0 443.922 3.251 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3c(Cl)cccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718336 720180751 /nfs/dbraw/zinc/18/07/51/720180751.db2.gz OVZYTIQACGKKRC-FQEVSTJZSA-N 1 0 426.952 3.233 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)C2 ZINC001164814401 720182711 /nfs/dbraw/zinc/18/27/11/720182711.db2.gz GCJNQBFANUMWRC-DFBJGRDBSA-N 1 0 438.572 3.346 20 0 IGADRO Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)cc1Cl ZINC001164713982 720192905 /nfs/dbraw/zinc/19/29/05/720192905.db2.gz FKMKUXYNQKOWJM-QGZVFWFLSA-N 1 0 425.364 3.042 20 0 IGADRO Cc1ccc(C)c(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)c1 ZINC001164714702 720198752 /nfs/dbraw/zinc/19/87/52/720198752.db2.gz HPVCMFRLMDHDIL-HSZRJFAPSA-N 1 0 447.587 3.105 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3[nH]cc(Cl)c32)CC1 ZINC001164818351 720289467 /nfs/dbraw/zinc/28/94/67/720289467.db2.gz KLYFHLGAVDBMDO-HUUCEWRRSA-N 1 0 437.375 3.176 20 0 IGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827356 720292708 /nfs/dbraw/zinc/29/27/08/720292708.db2.gz XBHUKEWVMIZEKG-RTBURBONSA-N 1 0 448.995 3.132 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164832996 720316998 /nfs/dbraw/zinc/31/69/98/720316998.db2.gz VIISVASVYQAHFN-RTBURBONSA-N 1 0 448.995 3.132 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827875 720319692 /nfs/dbraw/zinc/31/96/92/720319692.db2.gz IZGLAONUHLURAY-VQTJNVASSA-N 1 0 443.979 3.203 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164831373 720324071 /nfs/dbraw/zinc/32/40/71/720324071.db2.gz RPRKQNMNVVWDAQ-HZPDHXFCSA-N 1 0 442.938 3.200 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](COCC(=O)N(C)C)CC[C@@H]32)nc1 ZINC001164727241 720324700 /nfs/dbraw/zinc/32/47/00/720324700.db2.gz RVYGVSBIMASUNU-LUKWVAJMSA-N 1 0 444.620 3.250 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831960 720328515 /nfs/dbraw/zinc/32/85/15/720328515.db2.gz SMKVAFNDTZTROU-GOTSBHOMSA-N 1 0 435.572 3.064 20 0 IGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164828961 720333863 /nfs/dbraw/zinc/33/38/63/720333863.db2.gz KXVTVAMJLCXADZ-MSOLQXFVSA-N 1 0 430.984 3.085 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164823503 720339436 /nfs/dbraw/zinc/33/94/36/720339436.db2.gz GKCYMCOSKZNNCE-VXKWHMMOSA-N 1 0 435.572 3.064 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)s1 ZINC001164830618 720349055 /nfs/dbraw/zinc/34/90/55/720349055.db2.gz WDWPPHPSSADEJM-VQTJNVASSA-N 1 0 440.617 3.128 20 0 IGADRO CSc1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164821539 720351457 /nfs/dbraw/zinc/35/14/57/720351457.db2.gz AQFHIFJXCKZPJY-LEWJYISDSA-N 1 0 425.602 3.263 20 0 IGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723081 720381467 /nfs/dbraw/zinc/38/14/67/720381467.db2.gz GADLNRDQOYGAFF-LSDHHAIUSA-N 1 0 433.965 3.277 20 0 IGADRO c1ccc(N2CCN(c3cc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730084 720460790 /nfs/dbraw/zinc/46/07/90/720460790.db2.gz HQQCJQFGVPEYCW-DNQXCXABSA-N 1 0 441.583 3.051 20 0 IGADRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c1 ZINC001164723064 720466327 /nfs/dbraw/zinc/46/63/27/720466327.db2.gz BTWCYJWQWVPZAL-DQEYMECFSA-N 1 0 442.567 3.228 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3COC4(C)C)CC[C@@H]21 ZINC001164836047 720524512 /nfs/dbraw/zinc/52/45/12/720524512.db2.gz LXLRUTYMMFFLGV-BQFCYCMXSA-N 1 0 430.984 3.470 20 0 IGADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835055 720542441 /nfs/dbraw/zinc/54/24/41/720542441.db2.gz GVEYJVJLZVWRDJ-KCZVDYSFSA-N 1 0 448.571 3.381 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838768 720587757 /nfs/dbraw/zinc/58/77/57/720587757.db2.gz LPYXLLGAYVADFS-HLLBOEOZSA-N 1 0 440.926 3.258 20 0 IGADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164842514 720644840 /nfs/dbraw/zinc/64/48/40/720644840.db2.gz RUDJCIMYSIEWSJ-WAOWUJCRSA-N 1 0 436.560 3.221 20 0 IGADRO c1ccc(COC[C@@H]2CC[C@@H]3[C@@H](CCN3c3cccc(OCC[NH+]4CCCC4)n3)O2)nc1 ZINC001164850815 720775863 /nfs/dbraw/zinc/77/58/63/720775863.db2.gz XWMZDFZSWNNQLN-YTFSRNRJSA-N 1 0 438.572 3.294 20 0 IGADRO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745450 720814490 /nfs/dbraw/zinc/81/44/90/720814490.db2.gz KKCQGVPJKVKGFV-OXFYSEKESA-N 1 0 441.942 3.393 20 0 IGADRO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745455 720814607 /nfs/dbraw/zinc/81/46/07/720814607.db2.gz KKCQGVPJKVKGFV-WRWLIDTKSA-N 1 0 441.942 3.393 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(C(=O)NCCc3ccccc3)C2)nc1 ZINC001164848599 720817134 /nfs/dbraw/zinc/81/71/34/720817134.db2.gz DEZOGPFPGSSFRU-FKCDAAJZSA-N 1 0 448.611 3.440 20 0 IGADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nccc(Oc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745049 720819263 /nfs/dbraw/zinc/81/92/63/720819263.db2.gz VZLLTZYJMNJOAJ-KCZVDYSFSA-N 1 0 431.544 3.240 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC[C@@H]2C1 ZINC001164852574 720835857 /nfs/dbraw/zinc/83/58/57/720835857.db2.gz KYQPOBLAJXJNIY-PBHICJAKSA-N 1 0 426.895 3.002 20 0 IGADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751028 720839993 /nfs/dbraw/zinc/83/99/93/720839993.db2.gz XWMSDNJNFGFAMP-FDFHNCONSA-N 1 0 438.624 3.074 20 0 IGADRO Cc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164740464 720847959 /nfs/dbraw/zinc/84/79/59/720847959.db2.gz BSZADPQNGOHZIE-WPFOTENUSA-N 1 0 429.572 3.423 20 0 IGADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749712 720849672 /nfs/dbraw/zinc/84/96/72/720849672.db2.gz WPWLLXBHILOBLQ-SXWKCWPCSA-N 1 0 445.571 3.123 20 0 IGADRO CCc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745193 720850729 /nfs/dbraw/zinc/85/07/29/720850729.db2.gz MNNQCNMYWZCKIM-OWCLPIDISA-N 1 0 436.391 3.317 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164850150 720851928 /nfs/dbraw/zinc/85/19/28/720851928.db2.gz DPIVGAHUOFTCEX-DHIUTWEWSA-N 1 0 445.567 3.379 20 0 IGADRO Fc1cccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164751971 720852212 /nfs/dbraw/zinc/85/22/12/720852212.db2.gz RYNQKGMIZNHPES-KJXAQDMKSA-N 1 0 433.535 3.254 20 0 IGADRO COc1cc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752636 720856646 /nfs/dbraw/zinc/85/66/46/720856646.db2.gz TZKMJDSAWQBDKC-SFYKDHMMSA-N 1 0 448.571 3.223 20 0 IGADRO COc1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752634 720856978 /nfs/dbraw/zinc/85/69/78/720856978.db2.gz TZKMJDSAWQBDKC-SELNLUPBSA-N 1 0 448.571 3.223 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164853109 720863498 /nfs/dbraw/zinc/86/34/98/720863498.db2.gz GMPCIVLKUQMPGW-RHSMWYFYSA-N 1 0 426.895 3.002 20 0 IGADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc(NC4CC4)n2)C3)c1 ZINC001164754420 720867994 /nfs/dbraw/zinc/86/79/94/720867994.db2.gz RRPBCNTZEZCEJJ-SQJMNOBHSA-N 1 0 434.588 3.201 20 0 IGADRO COc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752399 720870833 /nfs/dbraw/zinc/87/08/33/720870833.db2.gz MWQBXGQZIFJRSJ-AUSIDOKSSA-N 1 0 443.979 3.289 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC[C@@H]2C1 ZINC001164854455 720874959 /nfs/dbraw/zinc/87/49/59/720874959.db2.gz FGLRLPCMSJULCS-DNVCBOLYSA-N 1 0 436.915 3.235 20 0 IGADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncnc4ncccc42)C3)c1 ZINC001164754517 720876422 /nfs/dbraw/zinc/87/64/22/720876422.db2.gz RZJNJKNKJVOZNS-PXDATVDWSA-N 1 0 430.556 3.175 20 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ZINC000060846842 721918610 /nfs/dbraw/zinc/91/86/10/721918610.db2.gz AVNOBKUZTQDKMQ-SFHVURJKSA-N 1 0 441.645 3.467 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cc5c4CNC5=O)CC3)C2)cc1 ZINC001164939176 721928362 /nfs/dbraw/zinc/92/83/62/721928362.db2.gz KBZMKPZUTRKGSM-UHFFFAOYSA-N 1 0 426.948 3.158 20 0 IGADRO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940114 721928967 /nfs/dbraw/zinc/92/89/67/721928967.db2.gz QFWOJNNHQRAXNC-UHFFFAOYSA-N 1 0 441.572 3.045 20 0 IGADRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164954354 722008273 /nfs/dbraw/zinc/00/82/73/722008273.db2.gz LTDIALUJQJWGOP-ATIYNZHBSA-N 1 0 449.599 3.039 20 0 IGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053475 722012098 /nfs/dbraw/zinc/01/20/98/722012098.db2.gz HLACYMGXYFRJFO-UHFFFAOYSA-N 1 0 425.920 3.220 20 0 IGADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955500 722020625 /nfs/dbraw/zinc/02/06/25/722020625.db2.gz JMBGMVWUWDTMQK-UHFFFAOYSA-N 1 0 434.544 3.033 20 0 IGADRO Cc1noc(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164961829 722040908 /nfs/dbraw/zinc/04/09/08/722040908.db2.gz NJDOTSSNYSKFAS-FUDKSRODSA-N 1 0 431.540 3.168 20 0 IGADRO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164959408 722051790 /nfs/dbraw/zinc/05/17/90/722051790.db2.gz ILVZKBWVBHKRDY-UHFFFAOYSA-N 1 0 430.936 3.036 20 0 IGADRO COC(=O)c1cc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C ZINC001164964407 722061757 /nfs/dbraw/zinc/06/17/57/722061757.db2.gz GLNRAPVDCKIKPR-UHFFFAOYSA-N 1 0 444.963 3.344 20 0 IGADRO O=C1[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968822 722082357 /nfs/dbraw/zinc/08/23/57/722082357.db2.gz HSUHVARNRVCEGW-DHIUTWEWSA-N 1 0 438.547 3.070 20 0 IGADRO O=C1[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969995 722082645 /nfs/dbraw/zinc/08/26/45/722082645.db2.gz STEWAUXLUJKJBS-PKTZIBPZSA-N 1 0 438.547 3.070 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164984684 722103522 /nfs/dbraw/zinc/10/35/22/722103522.db2.gz TYWSDEIRVPTOJG-SJLPKXTDSA-N 1 0 438.906 3.411 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983102 722109093 /nfs/dbraw/zinc/10/90/93/722109093.db2.gz YHCFXUZTSKJBQY-ICSRJNTNSA-N 1 0 444.963 3.342 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981995 722119687 /nfs/dbraw/zinc/11/96/87/722119687.db2.gz VPYILDWYERGWRF-HTAPYJJXSA-N 1 0 439.947 3.414 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973842 722124666 /nfs/dbraw/zinc/12/46/66/722124666.db2.gz HLWQNXRALPMNJY-ICSRJNTNSA-N 1 0 444.963 3.342 20 0 IGADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979567 722129556 /nfs/dbraw/zinc/12/95/56/722129556.db2.gz LFBSZILPCQVMNT-OFNKIYASSA-N 1 0 432.524 3.144 20 0 IGADRO CCOC(=O)c1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164974186 722135052 /nfs/dbraw/zinc/13/50/52/722135052.db2.gz CLLAGKREDGPCNQ-PKOBYXMFSA-N 1 0 430.936 3.034 20 0 IGADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982717 722142822 /nfs/dbraw/zinc/14/28/22/722142822.db2.gz SETMZUXMSALMOM-VQIMIIECSA-N 1 0 449.933 3.286 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164980885 722144459 /nfs/dbraw/zinc/14/44/59/722144459.db2.gz NHPJZEXDYSHTPV-RDPSFJRHSA-N 1 0 431.540 3.275 20 0 IGADRO COc1cc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164976365 722153347 /nfs/dbraw/zinc/15/33/47/722153347.db2.gz WTGSGRYNXYZDEJ-NTKDMRAZSA-N 1 0 434.540 3.374 20 0 IGADRO CC(C)NC(=O)c1ccc2c(c1)C1(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC1)C(=O)N2 ZINC001164990046 722187953 /nfs/dbraw/zinc/18/79/53/722187953.db2.gz JDOBWZDVCRPSIS-UHFFFAOYSA-N 1 0 447.583 3.306 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccnc1C1SCCCS1)CCC2 ZINC001165001036 722252152 /nfs/dbraw/zinc/25/21/52/722252152.db2.gz ZEIKNEGCQLVRTK-UHFFFAOYSA-N 1 0 434.635 3.030 20 0 IGADRO c1ccc(C[NH+]2CCN(CCCNc3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1 ZINC000020355789 563024629 /nfs/dbraw/zinc/02/46/29/563024629.db2.gz JQOJWONYNBKTTE-UHFFFAOYSA-N 1 0 427.556 3.411 20 0 IGADRO OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401613 718853264 /nfs/dbraw/zinc/85/32/64/718853264.db2.gz CKFXROWHVBLZHJ-DFBJGRDBSA-N 1 0 449.624 3.362 20 0 IGADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164404235 718863928 /nfs/dbraw/zinc/86/39/28/718863928.db2.gz ANGDXDZXWLXKQZ-MJGOQNOKSA-N 1 0 441.645 3.371 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164408497 718864331 /nfs/dbraw/zinc/86/43/31/718864331.db2.gz MEXSEYDGMRFAPC-ZHALLVOQSA-N 1 0 441.645 3.227 20 0 IGADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416409 718885665 /nfs/dbraw/zinc/88/56/65/718885665.db2.gz VZGMQJRNHOWJBO-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164415775 718887526 /nfs/dbraw/zinc/88/75/26/718887526.db2.gz ATFASUTYXOVERR-GTNSWQLSSA-N 1 0 429.254 3.223 20 0 IGADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c2c1C ZINC001164423635 718944780 /nfs/dbraw/zinc/94/47/80/718944780.db2.gz JBUFMAIKMFMCBV-PMACEKPBSA-N 1 0 435.597 3.216 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(OC)nc1Cl)C2 ZINC001164616524 719009015 /nfs/dbraw/zinc/00/90/15/719009015.db2.gz KXQIDQPGXPLWNU-MGPUTAFESA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3ncn4C(C)C)CC2)CC1 ZINC001164617015 719029965 /nfs/dbraw/zinc/02/99/65/719029965.db2.gz IRHBWIISWRYLDU-UHFFFAOYSA-N 1 0 434.972 3.305 20 0 IGADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164626840 719097439 /nfs/dbraw/zinc/09/74/39/719097439.db2.gz JEKMLIAVYZUVHR-IFMALSPDSA-N 1 0 428.602 3.213 20 0 IGADRO CC(C)N(C)Cc1nn(-c2ncc(C(=O)N3CCCCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679508 719640067 /nfs/dbraw/zinc/64/00/67/719640067.db2.gz DHPIGOLCESCSQP-UHFFFAOYSA-N 1 0 430.984 3.033 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c3CCC4)CC2)c2ccccc21 ZINC001164681400 719659112 /nfs/dbraw/zinc/65/91/12/719659112.db2.gz NPSYDCJOUHBULC-LJQANCHMSA-N 1 0 433.600 3.059 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc(Cl)cc3N)CC2)c2ccccc21 ZINC001164681041 719676600 /nfs/dbraw/zinc/67/66/00/719676600.db2.gz IYMCKOCLOXLBKL-QGZVFWFLSA-N 1 0 442.007 3.411 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CC2 ZINC001164682147 719715123 /nfs/dbraw/zinc/71/51/23/719715123.db2.gz BJBZRKNICVICHQ-UHFFFAOYSA-N 1 0 442.567 3.386 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164690039 719742407 /nfs/dbraw/zinc/74/24/07/719742407.db2.gz QKVXUXBFQWDJIT-UHFFFAOYSA-N 1 0 439.894 3.116 20 0 IGADRO COC(=O)c1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164694990 719888015 /nfs/dbraw/zinc/88/80/15/719888015.db2.gz IWLGYGUFPFAIOI-UHFFFAOYSA-N 1 0 438.553 3.349 20 0 IGADRO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc-2n1 ZINC001164696277 719896527 /nfs/dbraw/zinc/89/65/27/719896527.db2.gz FNBSEVBVEYYULK-UHFFFAOYSA-N 1 0 426.542 3.282 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 ZINC001164804536 720051692 /nfs/dbraw/zinc/05/16/92/720051692.db2.gz LLXHHQOMDYWQAK-ZDXQCDESSA-N 1 0 425.577 3.280 20 0 IGADRO CCOC(=O)c1ccc(C)c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164710983 720092198 /nfs/dbraw/zinc/09/21/98/720092198.db2.gz MNDDBHKXKFYNLT-OAQYLSRUSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164809255 720096961 /nfs/dbraw/zinc/09/69/61/720096961.db2.gz IZPBYZXUIAURQY-OXJNMPFZSA-N 1 0 443.922 3.251 20 0 IGADRO CCOC(=O)c1cc(F)cnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164709941 720103026 /nfs/dbraw/zinc/10/30/26/720103026.db2.gz DBNRJXNYHKJIOH-FQEVSTJZSA-N 1 0 442.535 3.300 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(SC)n1)CC2 ZINC001164718557 720107679 /nfs/dbraw/zinc/10/76/79/720107679.db2.gz SETKMMZYSFTQKG-MRXNPFEDSA-N 1 0 434.997 3.149 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CC2 ZINC001164718105 720119859 /nfs/dbraw/zinc/11/98/59/720119859.db2.gz RRVPFJHAZSKTBY-KRWDZBQOSA-N 1 0 441.963 3.132 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)CC2 ZINC001164710392 720135162 /nfs/dbraw/zinc/13/51/62/720135162.db2.gz ATYRGUISFZFGCS-FQEVSTJZSA-N 1 0 449.555 3.252 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712935 720164731 /nfs/dbraw/zinc/16/47/31/720164731.db2.gz IPSHIUHSBLSCFN-HXUWFJFHSA-N 1 0 426.952 3.233 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)N1CCc3ccccc31)C2 ZINC001164815555 720164945 /nfs/dbraw/zinc/16/49/45/720164945.db2.gz IDPCDQJFUNNDCT-CUNXSJBXSA-N 1 0 446.595 3.469 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)C2 ZINC001164819551 720167373 /nfs/dbraw/zinc/16/73/73/720167373.db2.gz XSZBMYFEABWQPS-RDGATRHJSA-N 1 0 426.605 3.138 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164814433 720172082 /nfs/dbraw/zinc/17/20/82/720172082.db2.gz GLEMDDXYFKSMGN-NBGIEHNGSA-N 1 0 436.556 3.100 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccsc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719176 720176407 /nfs/dbraw/zinc/17/64/07/720176407.db2.gz TXOOTSSYYUYUHM-KRWDZBQOSA-N 1 0 432.981 3.294 20 0 IGADRO Cn1nnc2c1CCN(c1nc(Cl)cc3cccc(F)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717266 720207378 /nfs/dbraw/zinc/20/73/78/720207378.db2.gz HSMVEMBIIQXRGJ-GOSISDBHSA-N 1 0 444.942 3.372 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(F)c(Cl)n1)CCC2 ZINC001164813364 720214474 /nfs/dbraw/zinc/21/44/74/720214474.db2.gz OYSAWZRAABHGGS-UHFFFAOYSA-N 1 0 429.874 3.226 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c(Cl)nccc31)CCC2 ZINC001164814509 720234188 /nfs/dbraw/zinc/23/41/88/720234188.db2.gz WIMSMRYLEAFRMY-UHFFFAOYSA-N 1 0 448.358 3.139 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164829715 720316658 /nfs/dbraw/zinc/31/66/58/720316658.db2.gz NBYPGVUBJFQPIB-SJORKVTESA-N 1 0 442.938 3.200 20 0 IGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164829718 720324558 /nfs/dbraw/zinc/32/45/58/720324558.db2.gz NCADDKJICGWSDH-DLBZAZTESA-N 1 0 426.939 3.500 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)COc2cccc(Cl)n2)CC1 ZINC001164832379 720326457 /nfs/dbraw/zinc/32/64/57/720326457.db2.gz SULMWKYBOGMRRY-IAGOWNOFSA-N 1 0 442.938 3.114 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)c1C ZINC001164834216 720326564 /nfs/dbraw/zinc/32/65/64/720326564.db2.gz YUOXISXOYKLVFK-DLBZAZTESA-N 1 0 441.954 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(Oc3cccc(F)c3)n2)CC1 ZINC001164823813 720332648 /nfs/dbraw/zinc/33/26/48/720332648.db2.gz BIQYFHYQVMKLQR-RTWAWAEBSA-N 1 0 439.535 3.320 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3sc4c(c32)CCC4)CC1 ZINC001164831120 720337077 /nfs/dbraw/zinc/33/70/77/720337077.db2.gz XPOCLKZKGBTHIX-ZWKOTPCHSA-N 1 0 425.602 3.092 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3nc(Cl)cnc3cc2F)CC1 ZINC001164830063 720343989 /nfs/dbraw/zinc/34/39/89/720343989.db2.gz VDQUWRNRIXKKQP-OALUTQOASA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3[nH]c4cc(F)ccc4c32)CC1 ZINC001164828704 720355541 /nfs/dbraw/zinc/35/55/41/720355541.db2.gz PKTRWWCMYDTSNQ-WOJBJXKFSA-N 1 0 436.535 3.162 20 0 IGADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1Cl ZINC001164839049 720513047 /nfs/dbraw/zinc/51/30/47/720513047.db2.gz SEXIBUDJBJFKRG-FUHIMQAGSA-N 1 0 431.968 3.486 20 0 IGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)C1 ZINC001164732600 720526512 /nfs/dbraw/zinc/52/65/12/720526512.db2.gz FVNPIBMNWHZWOR-CQSZACIVSA-N 1 0 433.894 3.131 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(NC(=O)C(C)(C)C)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842967 720543497 /nfs/dbraw/zinc/54/34/97/720543497.db2.gz ZGWOBTSBYQMBSS-GBESFXJTSA-N 1 0 425.581 3.036 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(NC(=O)C(C)(C)C)nn3)CC[C@@H]21 ZINC001164842966 720543918 /nfs/dbraw/zinc/54/39/18/720543918.db2.gz ZGWOBTSBYQMBSS-FHWLQOOXSA-N 1 0 425.581 3.036 20 0 IGADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164834967 720545637 /nfs/dbraw/zinc/54/56/37/720545637.db2.gz GCYVRHCGWVUZEQ-MIZPHKNDSA-N 1 0 448.571 3.381 20 0 IGADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164736569 720578059 /nfs/dbraw/zinc/57/80/59/720578059.db2.gz NPIHQZMLFWVVRI-UHFFFAOYSA-N 1 0 431.588 3.475 20 0 IGADRO O=C(c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1)N1CCc2ccccc21 ZINC001164736986 720581872 /nfs/dbraw/zinc/58/18/72/720581872.db2.gz XNPNUBWWHJTUKZ-UHFFFAOYSA-N 1 0 442.567 3.140 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838770 720588491 /nfs/dbraw/zinc/58/84/91/720588491.db2.gz LPYXLLGAYVADFS-ZMSDIMECSA-N 1 0 440.926 3.258 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837004 720647012 /nfs/dbraw/zinc/64/70/12/720647012.db2.gz AQTPAIXQZOERJO-BPQIPLTHSA-N 1 0 425.911 3.093 20 0 IGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CC2 ZINC001164843675 720692987 /nfs/dbraw/zinc/69/29/87/720692987.db2.gz QFDBYQMMMGRRKD-QGZVFWFLSA-N 1 0 426.948 3.490 20 0 IGADRO CNC(=O)c1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164843831 720698842 /nfs/dbraw/zinc/69/88/42/720698842.db2.gz RHDHCIAFRRDDOA-GOSISDBHSA-N 1 0 428.964 3.355 20 0 IGADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838330 720723475 /nfs/dbraw/zinc/72/34/75/720723475.db2.gz HZUCAFHOESVKQW-HXUWFJFHSA-N 1 0 438.572 3.476 20 0 IGADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838648 720736294 /nfs/dbraw/zinc/73/62/94/720736294.db2.gz VEQWHLYAKPCEPC-UHFFFAOYSA-N 1 0 439.894 3.315 20 0 IGADRO Cc1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc(Cl)n1 ZINC001164844398 720742406 /nfs/dbraw/zinc/74/24/06/720742406.db2.gz RDHAZMHKOSTCSA-UHFFFAOYSA-N 1 0 445.905 3.341 20 0 IGADRO Cc1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c(Cl)nn1 ZINC001164845287 720742880 /nfs/dbraw/zinc/74/28/80/720742880.db2.gz YYHAAMOPUMZIOE-UHFFFAOYSA-N 1 0 445.905 3.341 20 0 IGADRO CSc1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164739937 720744017 /nfs/dbraw/zinc/74/40/17/720744017.db2.gz JYSCNELEJSTIRX-WMZOPIPTSA-N 1 0 436.541 3.123 20 0 IGADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748233 720807245 /nfs/dbraw/zinc/80/72/45/720807245.db2.gz QCFMPXVWWZCYEM-GJZGRUSLSA-N 1 0 429.883 3.168 20 0 IGADRO CSc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751218 720814110 /nfs/dbraw/zinc/81/41/10/720814110.db2.gz XMAHVPVUDLCXFH-SOLBZPMBSA-N 1 0 441.630 3.384 20 0 IGADRO CSc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCCC2 ZINC001164739252 720826345 /nfs/dbraw/zinc/82/63/45/720826345.db2.gz HWEFMBUKKYVZGF-WAOWUJCRSA-N 1 0 439.633 3.048 20 0 IGADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741205 720827935 /nfs/dbraw/zinc/82/79/35/720827935.db2.gz MHNHFJVQLXMZNU-RLFYNMQTSA-N 1 0 440.901 3.390 20 0 IGADRO CCc1c(Cl)nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1CC ZINC001164743293 720830325 /nfs/dbraw/zinc/83/03/25/720830325.db2.gz RYAOIVSEEREMPN-SQGPQFPESA-N 1 0 430.000 3.226 20 0 IGADRO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5[nH]c6ccccc6c54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741169 720832814 /nfs/dbraw/zinc/83/28/14/720832814.db2.gz DNHFOFIFPXMXHS-WAOWUJCRSA-N 1 0 428.544 3.082 20 0 IGADRO c1ncn(C[C@H]2C[C@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747431 720841791 /nfs/dbraw/zinc/84/17/91/720841791.db2.gz QMJZMEOCQYFPNN-WMTXJRDZSA-N 1 0 441.583 3.213 20 0 IGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741721 720842177 /nfs/dbraw/zinc/84/21/77/720842177.db2.gz FODSEMPPCVREES-NLWGTHIKSA-N 1 0 434.592 3.226 20 0 IGADRO CC(C)(C)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742542 720842407 /nfs/dbraw/zinc/84/24/07/720842407.db2.gz HLAOZXWGFLQYSR-FGTMMUONSA-N 1 0 430.000 3.398 20 0 IGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164747539 720843035 /nfs/dbraw/zinc/84/30/35/720843035.db2.gz REFRBANKHGUSLX-KVSKMBFKSA-N 1 0 440.983 3.145 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164752678 720853036 /nfs/dbraw/zinc/85/30/36/720853036.db2.gz UGIGPAWMQOUFFJ-FUPPJEDESA-N 1 0 444.587 3.126 20 0 IGADRO FC(F)(Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164753898 720857584 /nfs/dbraw/zinc/85/75/84/720857584.db2.gz ZBDHCXBBKMZHEK-LZLYRXPVSA-N 1 0 438.910 3.131 20 0 IGADRO CSc1nccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749733 720871207 /nfs/dbraw/zinc/87/12/07/720871207.db2.gz HUZGHMBLHBNIIP-OFNKIYASSA-N 1 0 425.602 3.349 20 0 IGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCOCC1)[C@H]2C ZINC001164862515 720958088 /nfs/dbraw/zinc/95/80/88/720958088.db2.gz VYDAOZWWYVCRSL-SFHVURJKSA-N 1 0 435.576 3.084 20 0 IGADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3c(F)ccc(F)c13)CC2 ZINC001164753273 720969402 /nfs/dbraw/zinc/96/94/02/720969402.db2.gz BKOMGRYAKKSDTO-UHFFFAOYSA-N 1 0 435.862 3.009 20 0 IGADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH]1 ZINC001164864149 720973920 /nfs/dbraw/zinc/97/39/20/720973920.db2.gz YDOYAIASGFAYOP-GFCCVEGCSA-N 1 0 431.928 3.016 20 0 IGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)[C@@H]2C ZINC001164861219 721016987 /nfs/dbraw/zinc/01/69/87/721016987.db2.gz NUVAHKKNLYYPBK-CYBMUJFWSA-N 1 0 427.931 3.359 20 0 IGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869915 721050047 /nfs/dbraw/zinc/05/00/47/721050047.db2.gz UICNZFCOLOSGFS-ZWKOTPCHSA-N 1 0 430.936 3.095 20 0 IGADRO COCc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164865855 721052124 /nfs/dbraw/zinc/05/21/24/721052124.db2.gz APVCQYMHTWBYLB-DHIUTWEWSA-N 1 0 431.540 3.165 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871477 721073113 /nfs/dbraw/zinc/07/31/13/721073113.db2.gz YYZSWKMLQMFWGW-ZWKOTPCHSA-N 1 0 430.936 3.095 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164867711 721085553 /nfs/dbraw/zinc/08/55/53/721085553.db2.gz ZSQNPRNJSJNGCQ-MSOLQXFVSA-N 1 0 430.936 3.095 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164867720 721085852 /nfs/dbraw/zinc/08/58/52/721085852.db2.gz ZSQNPRNJSJNGCQ-ZWKOTPCHSA-N 1 0 430.936 3.095 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164865181 721095899 /nfs/dbraw/zinc/09/58/99/721095899.db2.gz JKXSPCCIGPYUOI-SJORKVTESA-N 1 0 425.920 3.167 20 0 IGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867219 721101578 /nfs/dbraw/zinc/10/15/78/721101578.db2.gz XAZYTGVYQRQDBJ-PMACEKPBSA-N 1 0 443.979 3.092 20 0 IGADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164873611 721134594 /nfs/dbraw/zinc/13/45/94/721134594.db2.gz IYVINUVDWGGSQR-VQTJNVASSA-N 1 0 425.533 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/nfs/dbraw/zinc/12/57/40/722125740.db2.gz XREBYSKMEQQDAP-VWNXMTODSA-N 1 0 431.540 3.178 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c([C@@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164987851 722173225 /nfs/dbraw/zinc/17/32/25/722173225.db2.gz OZRSTGCGYAMDNT-FCHUYYIVSA-N 1 0 448.571 3.169 20 0 IGADRO O=S(=O)(c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)N1CCCC1 ZINC001164994778 722210526 /nfs/dbraw/zinc/21/05/26/722210526.db2.gz DGURGTGHSSOKME-QHCPKHFHSA-N 1 0 444.576 3.250 20 0 IGADRO Cc1cc(OCc2ccccc2)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004156 722257607 /nfs/dbraw/zinc/25/76/07/722257607.db2.gz OFTWQZWSUPYPPR-UHFFFAOYSA-N 1 0 436.560 3.049 20 0 IGADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013137997 562985183 /nfs/dbraw/zinc/98/51/83/562985183.db2.gz HSTREBQWEJPDPW-UHFFFAOYSA-N 1 0 429.464 3.446 20 0 IGADRO C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCC3)N1CCOCC1 ZINC001164419518 718910793 /nfs/dbraw/zinc/91/07/93/718910793.db2.gz BSMIVNSWLAQWIW-UHFFFAOYSA-N 1 0 427.618 3.125 20 0 IGADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2c1C ZINC001164423643 718944985 /nfs/dbraw/zinc/94/49/85/718944985.db2.gz JBUFMAIKMFMCBV-VQTJNVASSA-N 1 0 435.597 3.216 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164617105 719007066 /nfs/dbraw/zinc/00/70/66/719007066.db2.gz MHUKJPFNYZDXFD-SGTLLEGYSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164619298 719008869 /nfs/dbraw/zinc/00/88/69/719008869.db2.gz VOCSVKPGKGFBAO-BEFAXECRSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164614910 719010184 /nfs/dbraw/zinc/01/01/84/719010184.db2.gz GVRFSGRDTNLJEF-DNVCBOLYSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164615665 719015375 /nfs/dbraw/zinc/01/53/75/719015375.db2.gz JMYYXJHUXWRHMA-XDTLVQLUSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164614337 719015648 /nfs/dbraw/zinc/01/56/48/719015648.db2.gz FAKZUPMTVUJDMT-QCZZGDTMSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4sc(C)nc4C)nn3)CC2)CC1 ZINC001164618670 719033975 /nfs/dbraw/zinc/03/39/75/719033975.db2.gz XYNRSJDZNVVMCH-UHFFFAOYSA-N 1 0 429.590 3.461 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164623901 719043387 /nfs/dbraw/zinc/04/33/87/719043387.db2.gz NEBVHRUPULSKBI-UZLBHIALSA-N 1 0 436.890 3.435 20 0 IGADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@@H]5C[N@H+](Cc6ccccc6)C[C@H]54)c3)cc21 ZINC001164619924 719075569 /nfs/dbraw/zinc/07/55/69/719075569.db2.gz DCVZYTYUPBXMLZ-HYBUGGRVSA-N 1 0 427.552 3.463 20 0 IGADRO O=C1CCCN1[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21 ZINC001164656904 719303248 /nfs/dbraw/zinc/30/32/48/719303248.db2.gz ZFCISXRNSWURBE-LSCGWGKXSA-N 1 0 446.595 3.246 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)ncc3F)CC2)c2ccccc21 ZINC001164681003 719656208 /nfs/dbraw/zinc/65/62/08/719656208.db2.gz LBOFRQDWEKSQDQ-INIZCTEOSA-N 1 0 445.970 3.363 20 0 IGADRO COc1ccc(C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680504 719667874 /nfs/dbraw/zinc/66/78/74/719667874.db2.gz GROWDDUIJPWDDO-FQEVSTJZSA-N 1 0 436.600 3.492 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3nnc(COc4ccccn4)n3CC2)nc1 ZINC001164688249 719687133 /nfs/dbraw/zinc/68/71/33/719687133.db2.gz YUDXIOJKJXZWSY-HXUWFJFHSA-N 1 0 433.560 3.257 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CC2 ZINC001164689609 719749930 /nfs/dbraw/zinc/74/99/30/719749930.db2.gz JDMGDQIHUZNMQT-UHFFFAOYSA-N 1 0 448.615 3.315 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164689839 719750045 /nfs/dbraw/zinc/75/00/45/719750045.db2.gz LHVWQBNAVNJXHR-UHFFFAOYSA-N 1 0 440.844 3.480 20 0 IGADRO O=C1C[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1Cc1cccnc1 ZINC001164691061 719764769 /nfs/dbraw/zinc/76/47/69/719764769.db2.gz KQOGXBLAKPNRRY-RPBOFIJWSA-N 1 0 439.563 3.415 20 0 IGADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164690860 719805500 /nfs/dbraw/zinc/80/55/00/719805500.db2.gz BFWMKEOLAHPCSQ-UHFFFAOYSA-N 1 0 426.546 3.096 20 0 IGADRO COCCOC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164699604 719815652 /nfs/dbraw/zinc/81/56/52/719815652.db2.gz HOOUDUBQMGGCRS-UHFFFAOYSA-N 1 0 430.574 3.285 20 0 IGADRO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1C ZINC001164697680 719897472 /nfs/dbraw/zinc/89/74/72/719897472.db2.gz NOLRHRXSNZGSAX-UHFFFAOYSA-N 1 0 432.981 3.258 20 0 IGADRO COCc1nn(-c2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1C[NH2+]C2 ZINC001164715349 720079118 /nfs/dbraw/zinc/07/91/18/720079118.db2.gz ZLZTUMNKAREZRS-UHFFFAOYSA-N 1 0 438.601 3.347 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164813076 720091290 /nfs/dbraw/zinc/09/12/90/720091290.db2.gz SDKYRFXAKYIHJY-YWZLYKJASA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(=O)OC)CC2 ZINC001164711142 720093705 /nfs/dbraw/zinc/09/37/05/720093705.db2.gz OSCZTTSIMQCATF-SFHVURJKSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(=O)OC)CC2 ZINC001164711139 720094385 /nfs/dbraw/zinc/09/43/85/720094385.db2.gz OSCZTTSIMQCATF-GOSISDBHSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001164814440 720127480 /nfs/dbraw/zinc/12/74/80/720127480.db2.gz SOALMGHIBGVTDO-UZUQRXQVSA-N 1 0 435.012 3.448 20 0 IGADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164808682 720128419 /nfs/dbraw/zinc/12/84/19/720128419.db2.gz GBLRPQWGWKEDNE-VBKZILBWSA-N 1 0 443.375 3.145 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCCC3)ncn1)CC2 ZINC001164713600 720140808 /nfs/dbraw/zinc/14/08/08/720140808.db2.gz SNJFJWQQZAOIHS-QFIPXVFZSA-N 1 0 436.604 3.369 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164814431 720171504 /nfs/dbraw/zinc/17/15/04/720171504.db2.gz GLEMDDXYFKSMGN-CPJSRVTESA-N 1 0 436.556 3.100 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164817148 720172991 /nfs/dbraw/zinc/17/29/91/720172991.db2.gz OGILFIGBAYVNKP-FOIQADDNSA-N 1 0 426.939 3.348 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)C2 ZINC001164817380 720182648 /nfs/dbraw/zinc/18/26/48/720182648.db2.gz PDWRPKORYSMPPU-KBMIEXCESA-N 1 0 438.572 3.346 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3cccc(Cl)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715429 720184130 /nfs/dbraw/zinc/18/41/30/720184130.db2.gz BUPOKMKIPMAPAW-LJQANCHMSA-N 1 0 426.952 3.233 20 0 IGADRO Cc1ccc(F)c2cc(C)c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc12 ZINC001164719567 720188090 /nfs/dbraw/zinc/18/80/90/720188090.db2.gz WFTQSBFMAORQQH-OAQYLSRUSA-N 1 0 438.551 3.335 20 0 IGADRO Cc1nc2c3ccccc3oc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164716628 720189578 /nfs/dbraw/zinc/18/95/78/720189578.db2.gz QHPCTWYXLQDWGR-IBGZPJMESA-N 1 0 447.543 3.029 20 0 IGADRO CCCCOc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164717621 720194043 /nfs/dbraw/zinc/19/40/43/720194043.db2.gz VIIHNIYGQXNHIW-HXUWFJFHSA-N 1 0 448.999 3.259 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(-c3c[nH]c4ccccc43)n1)CCC2 ZINC001164812606 720222413 /nfs/dbraw/zinc/22/24/13/720222413.db2.gz HCHWHDMJUJELBI-UHFFFAOYSA-N 1 0 443.555 3.432 20 0 IGADRO Cc1nc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(Cl)c1C ZINC001164813848 720228365 /nfs/dbraw/zinc/22/83/65/720228365.db2.gz QBAPBKLYCJWDNQ-UHFFFAOYSA-N 1 0 440.926 3.099 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(F)ccc3c(Cl)ncnc31)CCC2 ZINC001164817079 720247834 /nfs/dbraw/zinc/24/78/34/720247834.db2.gz OQYGKKVCPGHTLN-UHFFFAOYSA-N 1 0 430.915 3.230 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2F)CC1 ZINC001164822549 720293206 /nfs/dbraw/zinc/29/32/06/720293206.db2.gz MYQILMZEXZHPMG-HOTGVXAUSA-N 1 0 430.902 3.331 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829636 720317235 /nfs/dbraw/zinc/31/72/35/720317235.db2.gz MYJFSCQYYXHTPS-QZTJIDSGSA-N 1 0 443.979 3.203 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c21 ZINC001164831981 720322406 /nfs/dbraw/zinc/32/24/06/720322406.db2.gz SOEONHMZARHYNW-ROUUACIJSA-N 1 0 443.979 3.203 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164831374 720323961 /nfs/dbraw/zinc/32/39/61/720323961.db2.gz RPRKQNMNVVWDAQ-JKSUJKDBSA-N 1 0 442.938 3.200 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)COc2cccc(Cl)n2)CC1 ZINC001164832377 720326281 /nfs/dbraw/zinc/32/62/81/720326281.db2.gz SULMWKYBOGMRRY-DLBZAZTESA-N 1 0 442.938 3.114 20 0 IGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164721743 720331147 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CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5c(F)cccc5F)nn4)C3)O2)CC1 ZINC001164893659 721441552 /nfs/dbraw/zinc/44/15/52/721441552.db2.gz JVPKPPYTZNVGRD-MHECFPHRSA-N 1 0 443.542 3.187 20 0 IGADRO CC(C)c1noc(-c2ccnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2)n1 ZINC001164898387 721442492 /nfs/dbraw/zinc/44/24/92/721442492.db2.gz VXCPYZFENWBXSC-HYBUGGRVSA-N 1 0 440.592 3.020 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164894332 721445824 /nfs/dbraw/zinc/44/58/24/721445824.db2.gz LSUKNKVQLYYNDO-HXOBKFHXSA-N 1 0 449.521 3.472 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164789249 721447889 /nfs/dbraw/zinc/44/78/89/721447889.db2.gz UFCMLVZHTIDITJ-KRWDZBQOSA-N 1 0 444.954 3.409 20 0 IGADRO Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1-c1ccccc1F ZINC001164887156 721448216 /nfs/dbraw/zinc/44/82/16/721448216.db2.gz IXZAXXADMONGFJ-NLFFAJNJSA-N 1 0 439.579 3.357 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001164783235 721452131 /nfs/dbraw/zinc/45/21/31/721452131.db2.gz AOAAAGGJGUVKED-QGZVFWFLSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164783238 721452763 /nfs/dbraw/zinc/45/27/63/721452763.db2.gz AQNIVTMKQGLETF-KRWDZBQOSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C)c1NC(C)=O)CC2 ZINC001164789904 721464747 /nfs/dbraw/zinc/46/47/47/721464747.db2.gz YKFFMXVIRZGLQB-NRFANRHFSA-N 1 0 430.593 3.082 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164790609 721469277 /nfs/dbraw/zinc/46/92/77/721469277.db2.gz SFMMUIRXHSIUEZ-NRFANRHFSA-N 1 0 437.588 3.273 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(nn1)CC[C@H](C)C3)CC2 ZINC001164789564 721470668 /nfs/dbraw/zinc/47/06/68/721470668.db2.gz OEAXWEYXGFJMGJ-SIKLNZKXSA-N 1 0 428.621 3.335 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164789937 721473146 /nfs/dbraw/zinc/47/31/46/721473146.db2.gz PEYHMSYEVFZHAW-IBGZPJMESA-N 1 0 443.617 3.334 20 0 IGADRO CNC(=O)N[C@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)c2ccc(C)cc21 ZINC001164897141 721492419 /nfs/dbraw/zinc/49/24/19/721492419.db2.gz BSWLFGDBJJBCED-QFIPXVFZSA-N 1 0 448.615 3.054 20 0 IGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164795991 721498040 /nfs/dbraw/zinc/49/80/40/721498040.db2.gz OOIHRIHOTXPVFY-UHFFFAOYSA-N 1 0 433.556 3.007 20 0 IGADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902090 721525316 /nfs/dbraw/zinc/52/53/16/721525316.db2.gz ZDDWXKMPKORBCQ-AEFFLSMTSA-N 1 0 429.496 3.305 20 0 IGADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164912059 721534063 /nfs/dbraw/zinc/53/40/63/721534063.db2.gz YMJHTHDGYPJDGZ-QUCCMNQESA-N 1 0 436.487 3.288 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C ZINC001164804562 721552656 /nfs/dbraw/zinc/55/26/56/721552656.db2.gz KHFAYSKFIAGRPE-SVFBPWRDSA-N 1 0 444.963 3.483 20 0 IGADRO CN(C)c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164904241 721564038 /nfs/dbraw/zinc/56/40/38/721564038.db2.gz DOCVIWQNWDUYHD-GOEBONIOSA-N 1 0 441.885 3.222 20 0 IGADRO CCOC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1Cl ZINC001164800249 721570431 /nfs/dbraw/zinc/57/04/31/721570431.db2.gz DLHHBEPJUWUWEV-BBTUJRGHSA-N 1 0 430.936 3.175 20 0 IGADRO COC(=O)c1cc2ccccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806986 721581697 /nfs/dbraw/zinc/58/16/97/721581697.db2.gz OHRKNZYOKKDKMB-VJBWXMMDSA-N 1 0 432.524 3.285 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C ZINC001164811990 721585272 /nfs/dbraw/zinc/58/52/72/721585272.db2.gz ZGNLKRQFFIHOPY-XPWALMASSA-N 1 0 430.556 3.419 20 0 IGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164807568 721585894 /nfs/dbraw/zinc/58/58/94/721585894.db2.gz OMMANKKTDPHFHW-WXFUMESZSA-N 1 0 442.567 3.291 20 0 IGADRO CC(C)N(C)Cc1nnc2n1CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165011766 721699939 /nfs/dbraw/zinc/69/99/39/721699939.db2.gz YGBJYBPHNRLGGS-UHFFFAOYSA-N 1 0 445.615 3.482 20 0 IGADRO CCOC(=O)Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904976 721704948 /nfs/dbraw/zinc/70/49/48/721704948.db2.gz GEBWWVILFMZYMN-JOCHJYFZSA-N 1 0 430.499 3.320 20 0 IGADRO O=c1cc2[nH]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c(Cl)cc-2[nH]1 ZINC001164907676 721706248 /nfs/dbraw/zinc/70/62/48/721706248.db2.gz SMICHDZRVJKEOF-FQEVSTJZSA-N 1 0 433.890 3.362 20 0 IGADRO O=c1cc2[nH]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c(Cl)cc-2[nH]1 ZINC001164907679 721707370 /nfs/dbraw/zinc/70/73/70/721707370.db2.gz SMICHDZRVJKEOF-HXUWFJFHSA-N 1 0 433.890 3.362 20 0 IGADRO FC1(F)CCN(c2ncnc3c2ncn3C2CC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912184 721725448 /nfs/dbraw/zinc/72/54/48/721725448.db2.gz MLMBUHAQHBFCHQ-OAQYLSRUSA-N 1 0 425.487 3.294 20 0 IGADRO CN1CCc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2C1 ZINC001164912572 721735944 /nfs/dbraw/zinc/73/59/44/721735944.db2.gz NUXDTZDTYWOSER-OAQYLSRUSA-N 1 0 448.949 3.251 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165025670 721788389 /nfs/dbraw/zinc/78/83/89/721788389.db2.gz WGSSCQZWAVIDCV-DHLKQENFSA-N 1 0 444.620 3.109 20 0 IGADRO CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027333 721806191 /nfs/dbraw/zinc/80/61/91/721806191.db2.gz VNJMPTJNILSLKR-SNRMKQJTSA-N 1 0 429.952 3.439 20 0 IGADRO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2cccc(OCC[NH+]3CCCC3)n2)n1 ZINC001164918963 721810939 /nfs/dbraw/zinc/81/09/39/721810939.db2.gz VIWVLFIUCKBLJB-YCRNBWNJSA-N 1 0 444.601 3.213 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@@H]21 ZINC001165021443 721822006 /nfs/dbraw/zinc/82/20/06/721822006.db2.gz FPVJBFFPRCVBNW-RYQLBKOJSA-N 1 0 434.993 3.270 20 0 IGADRO COC(=O)c1cnc(Cl)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165020268 721838097 /nfs/dbraw/zinc/83/80/97/721838097.db2.gz HBPOYNDTXBTCDL-UHFFFAOYSA-N 1 0 434.924 3.035 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(C)c2C(N)=O)CC1 ZINC001165020246 721838208 /nfs/dbraw/zinc/83/82/08/721838208.db2.gz GPOSQIDPEHVBCA-UHFFFAOYSA-N 1 0 432.952 3.260 20 0 IGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC001164923097 721863823 /nfs/dbraw/zinc/86/38/23/721863823.db2.gz IBMQJKFCXNSYFF-RBUKOAKNSA-N 1 0 431.943 3.341 20 0 IGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC001164931512 721884991 /nfs/dbraw/zinc/88/49/91/721884991.db2.gz GGTKRRFLYOSJFW-MOPGFXCFSA-N 1 0 449.628 3.242 20 0 IGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC(C[NH+](C)C)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165044705 721948074 /nfs/dbraw/zinc/94/80/74/721948074.db2.gz HNCCOUKRBUJUTG-IAGOWNOFSA-N 1 0 436.551 3.004 20 0 IGADRO CCN(CCC(N)=O)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165047879 721983599 /nfs/dbraw/zinc/98/35/99/721983599.db2.gz SFEWHNLXGIAOPW-UHFFFAOYSA-N 1 0 428.964 3.458 20 0 IGADRO CC[NH+](CC)C1CCN(c2ncnc3c2cc(C)n3S(=O)(=O)c2ccccc2)CC1 ZINC001165054360 722001355 /nfs/dbraw/zinc/00/13/55/722001355.db2.gz ZNRIQHPKHIBQHV-UHFFFAOYSA-N 1 0 427.574 3.287 20 0 IGADRO C[N@H+](Cc1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164968580 722082505 /nfs/dbraw/zinc/08/25/05/722082505.db2.gz DUPJVUGVRZHIOX-GOTSBHOMSA-N 1 0 438.547 3.069 20 0 IGADRO C[N@H+](Cc1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164968579 722082527 /nfs/dbraw/zinc/08/25/27/722082527.db2.gz DUPJVUGVRZHIOX-DHIUTWEWSA-N 1 0 438.547 3.069 20 0 IGADRO Clc1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164986292 722100184 /nfs/dbraw/zinc/10/01/84/722100184.db2.gz YQBHIBLIDZPMEH-GOEBONIOSA-N 1 0 433.343 3.387 20 0 IGADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983217 722108752 /nfs/dbraw/zinc/10/87/52/722108752.db2.gz YNDYVIPFEPJWCZ-SJLPKXTDSA-N 1 0 429.952 3.018 20 0 IGADRO COc1cc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164974048 722127369 /nfs/dbraw/zinc/12/73/69/722127369.db2.gz IHKCNGJZYURZGF-RDPSFJRHSA-N 1 0 434.540 3.374 20 0 IGADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCC3)nc2c1 ZINC001164980882 722138233 /nfs/dbraw/zinc/13/82/33/722138233.db2.gz NHJLCAGAAIOKED-ZJSXRUAMSA-N 1 0 444.583 3.352 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@H]3C2)c1 ZINC001164973922 722151668 /nfs/dbraw/zinc/15/16/68/722151668.db2.gz NNMXDPSPYZTHAQ-LEWJYISDSA-N 1 0 432.528 3.131 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCC5)[nH+]c(C)n4)CC[C@H]32)cs1 ZINC001164987084 722175930 /nfs/dbraw/zinc/17/59/30/722175930.db2.gz MJJNLRKOLJBHOS-UXHICEINSA-N 1 0 428.606 3.020 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@@H]32)cs1 ZINC001164992991 722185681 /nfs/dbraw/zinc/18/56/81/722185681.db2.gz YMUIUHIXOQGNQH-VXKWHMMOSA-N 1 0 427.618 3.311 20 0 IGADRO CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc21 ZINC000024975497 557184719 /nfs/dbraw/zinc/18/47/19/557184719.db2.gz WMKGTDJUDYJAPU-IBGZPJMESA-N 1 0 433.599 3.027 20 0 IGADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3cccc(C(F)(F)F)c3)nnc1Cl)C2 ZINC001164406925 718854920 /nfs/dbraw/zinc/85/49/20/718854920.db2.gz PBPQFWQKXIBVFJ-GUYCJALGSA-N 1 0 448.823 3.379 20 0 IGADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCO[C@@H]5C[NH2+]CC[C@@H]5C3)n2)CCC4)CC1 ZINC001164407775 718864432 /nfs/dbraw/zinc/86/44/32/718864432.db2.gz JTEYNBRWVUFAFF-IEBWSBKVSA-N 1 0 441.645 3.227 20 0 IGADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415554 718884855 /nfs/dbraw/zinc/88/48/55/718884855.db2.gz KRIBJCJHKJPRMC-UHFFFAOYSA-N 1 0 440.285 3.172 20 0 IGADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415317 718885182 /nfs/dbraw/zinc/88/51/82/718885182.db2.gz FUAGSXXZBRXQDR-UHFFFAOYSA-N 1 0 440.285 3.172 20 0 IGADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164423640 718945044 /nfs/dbraw/zinc/94/50/44/718945044.db2.gz JBUFMAIKMFMCBV-UXHICEINSA-N 1 0 435.597 3.216 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC[C@H]4[NH2+]C[C@H]43)c2c1C ZINC001164448954 719000308 /nfs/dbraw/zinc/00/03/08/719000308.db2.gz KMKPWAXKCWKIJZ-HZPDHXFCSA-N 1 0 429.590 3.103 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164614905 719009936 /nfs/dbraw/zinc/00/99/36/719009936.db2.gz GVRFSGRDTNLJEF-BEFAXECRSA-N 1 0 428.911 3.011 20 0 IGADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164631423 719095654 /nfs/dbraw/zinc/09/56/54/719095654.db2.gz YBPGWEWYMUXGOE-DOTOQJQBSA-N 1 0 425.920 3.499 20 0 IGADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164626842 719097576 /nfs/dbraw/zinc/09/75/76/719097576.db2.gz JEKMLIAVYZUVHR-RBBKRZOGSA-N 1 0 428.602 3.213 20 0 IGADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164663455 719347050 /nfs/dbraw/zinc/34/70/50/719347050.db2.gz HHPAKMPMIXVLRI-UHFFFAOYSA-N 1 0 428.584 3.422 20 0 IGADRO c1cn(Cc2noc3c2CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)cn1 ZINC001164678404 719563374 /nfs/dbraw/zinc/56/33/74/719563374.db2.gz YDTHPHSXPMAHOE-UHFFFAOYSA-N 1 0 426.524 3.435 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4cccnc4n3)CC2)c2ccccc21 ZINC001164683162 719670527 /nfs/dbraw/zinc/67/05/27/719670527.db2.gz RAOCJQBPEOUYIU-HXUWFJFHSA-N 1 0 444.583 3.118 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C4CC4)nn3)CC2)c2ccccc21 ZINC001164681571 719671410 /nfs/dbraw/zinc/67/14/10/719671410.db2.gz MYKHQMUSXHATKM-FQEVSTJZSA-N 1 0 433.600 3.447 20 0 IGADRO Cc1nc2c(c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n1)CCC2 ZINC001164681802 719675637 /nfs/dbraw/zinc/67/56/37/719675637.db2.gz NRKIISJFUCCJLD-FQEVSTJZSA-N 1 0 447.627 3.367 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)CC2 ZINC001164690281 719743222 /nfs/dbraw/zinc/74/32/22/719743222.db2.gz YEEQGESPMDFBEZ-UHFFFAOYSA-N 1 0 441.963 3.168 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(OC)c1)CC2 ZINC001164689593 719756765 /nfs/dbraw/zinc/75/67/65/719756765.db2.gz IRNOFXVSWLQJBA-UHFFFAOYSA-N 1 0 445.951 3.112 20 0 IGADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693010 719811682 /nfs/dbraw/zinc/81/16/82/719811682.db2.gz STLHODJHYAIKAV-UHFFFAOYSA-N 1 0 429.590 3.423 20 0 IGADRO CC(C)(C)C(=O)Nc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164694722 719892255 /nfs/dbraw/zinc/89/22/55/719892255.db2.gz DBKMJIJQGUKWSD-UHFFFAOYSA-N 1 0 429.590 3.394 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1 ZINC001164704183 719922535 /nfs/dbraw/zinc/92/25/35/719922535.db2.gz OPJVANAPMRASRS-BXXSPATCSA-N 1 0 442.604 3.271 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1C(=O)OC)CC2 ZINC001164712614 720098358 /nfs/dbraw/zinc/09/83/58/720098358.db2.gz XITHFKJCWSPUAQ-IBGZPJMESA-N 1 0 444.963 3.424 20 0 IGADRO CCOC(=O)c1cc(F)cnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164709943 720103096 /nfs/dbraw/zinc/10/30/96/720103096.db2.gz DBNRJXNYHKJIOH-HXUWFJFHSA-N 1 0 442.535 3.300 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)C2 ZINC001164813868 720120510 /nfs/dbraw/zinc/12/05/10/720120510.db2.gz RJANTIGZXCVRJH-QMHKHESXSA-N 1 0 446.979 3.485 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-c3cccnc3)n1)CC2 ZINC001164718076 720125191 /nfs/dbraw/zinc/12/51/91/720125191.db2.gz RKMUDKBXMWONRG-QFIPXVFZSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164712530 720146534 /nfs/dbraw/zinc/14/65/34/720146534.db2.gz NFAKADHIHYRVBT-NRFANRHFSA-N 1 0 445.567 3.236 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)C2 ZINC001164816380 720164541 /nfs/dbraw/zinc/16/45/41/720164541.db2.gz LDMPYAJUYVHOND-RZTXVSJASA-N 1 0 426.605 3.138 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164820151 720178341 /nfs/dbraw/zinc/17/83/41/720178341.db2.gz ZSDOTNPMOGHTNK-AUUYWEPGSA-N 1 0 425.911 3.341 20 0 IGADRO Cn1nnc2c1CCN(c1ncccc1OCc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716038 720196567 /nfs/dbraw/zinc/19/65/67/720196567.db2.gz OXXRLHRCVOEABI-JOCHJYFZSA-N 1 0 448.571 3.005 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3c(Cl)ccc(F)c3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715281 720204301 /nfs/dbraw/zinc/20/43/01/720204301.db2.gz KOQAIFTZQFMEBA-LJQANCHMSA-N 1 0 444.942 3.372 20 0 IGADRO COc1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164814915 720227177 /nfs/dbraw/zinc/22/71/77/720227177.db2.gz ZXOFCXCOZUJNKY-UHFFFAOYSA-N 1 0 441.910 3.096 20 0 IGADRO Cc1nc2sc3c(c2c(N2CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C2)n1)CCC3 ZINC001164812069 720235663 /nfs/dbraw/zinc/23/56/63/720235663.db2.gz AXAUFSVCTNXVEN-UHFFFAOYSA-N 1 0 438.601 3.296 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)s1 ZINC001164815225 720241758 /nfs/dbraw/zinc/24/17/58/720241758.db2.gz BVAAHDRRKDGPKH-UHFFFAOYSA-N 1 0 439.589 3.024 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]cc(Cl)c32)CC1 ZINC001164818347 720289690 /nfs/dbraw/zinc/28/96/90/720289690.db2.gz KLYFHLGAVDBMDO-GJZGRUSLSA-N 1 0 437.375 3.176 20 0 IGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827355 720293065 /nfs/dbraw/zinc/29/30/65/720293065.db2.gz XBHUKEWVMIZEKG-RBUKOAKNSA-N 1 0 448.995 3.132 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821107 720309544 /nfs/dbraw/zinc/30/95/44/720309544.db2.gz JOKJXAZDTVSHGK-MSOLQXFVSA-N 1 0 448.995 3.132 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(=O)Nc3ccccc3)ccn2)CC1 ZINC001164833432 720320390 /nfs/dbraw/zinc/32/03/90/720320390.db2.gz XEEMWKHBCMIOSN-GOTSBHOMSA-N 1 0 447.583 3.245 20 0 IGADRO CSc1nc2ccccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831367 720322449 /nfs/dbraw/zinc/32/24/49/720322449.db2.gz RNXSFDYYEFKQQK-PMACEKPBSA-N 1 0 425.602 3.263 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828433 720323161 /nfs/dbraw/zinc/32/31/61/720323161.db2.gz JLWJNTJXYYRDIM-MOPGFXCFSA-N 1 0 448.995 3.132 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164831371 720323517 /nfs/dbraw/zinc/32/35/17/720323517.db2.gz RPRKQNMNVVWDAQ-CVEARBPZSA-N 1 0 442.938 3.200 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3c(n2)-c2ccccc2CC3)CC1 ZINC001164831956 720332081 /nfs/dbraw/zinc/33/20/81/720332081.db2.gz SKIABYGKSNCLLQ-GOTSBHOMSA-N 1 0 431.584 3.154 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164822844 720338174 /nfs/dbraw/zinc/33/81/74/720338174.db2.gz FVYIPTAPKHGSJJ-GOTSBHOMSA-N 1 0 435.572 3.064 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164824236 720339245 /nfs/dbraw/zinc/33/92/45/720339245.db2.gz HRQWNSGLAREKJF-XZOQPEGZSA-N 1 0 435.572 3.064 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164824233 720339376 /nfs/dbraw/zinc/33/93/76/720339376.db2.gz HRQWNSGLAREKJF-DHIUTWEWSA-N 1 0 435.572 3.064 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3nc(Cl)cnc3cc2F)CC1 ZINC001164830070 720343927 /nfs/dbraw/zinc/34/39/27/720343927.db2.gz VDQUWRNRIXKKQP-RBUKOAKNSA-N 1 0 431.943 3.334 20 0 IGADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721660 720380228 /nfs/dbraw/zinc/38/02/28/720380228.db2.gz AIGLEGLJFDEPIA-KZNAEPCWSA-N 1 0 439.951 3.427 20 0 IGADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c1 ZINC001164723069 720465977 /nfs/dbraw/zinc/46/59/77/720465977.db2.gz BTWCYJWQWVPZAL-JWQCQUIFSA-N 1 0 442.567 3.228 20 0 IGADRO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164728956 720470722 /nfs/dbraw/zinc/47/07/22/720470722.db2.gz QAHMQCXJLFPVDM-PKTZIBPZSA-N 1 0 430.556 3.370 20 0 IGADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835057 720541804 /nfs/dbraw/zinc/54/18/04/720541804.db2.gz GVEYJVJLZVWRDJ-TUNNFDKTSA-N 1 0 448.571 3.381 20 0 IGADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164734275 720546043 /nfs/dbraw/zinc/54/60/43/720546043.db2.gz HSTUFPJLLOATGD-DJJJIMSYSA-N 1 0 436.906 3.451 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC[C@@H]21 ZINC001164842105 720562601 /nfs/dbraw/zinc/56/26/01/720562601.db2.gz WNIPCLNFBRVENL-FKBYEOEOSA-N 1 0 446.603 3.179 20 0 IGADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728869 720572037 /nfs/dbraw/zinc/57/20/37/720572037.db2.gz OKDZTYHYECIPTA-UHFFFAOYSA-N 1 0 433.894 3.078 20 0 IGADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164837747 720584115 /nfs/dbraw/zinc/58/41/15/720584115.db2.gz JCQSMUAWKFWPAO-JENIJYKNSA-N 1 0 431.968 3.486 20 0 IGADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736107 720590006 /nfs/dbraw/zinc/59/00/06/720590006.db2.gz CJJZFQXCRZOXCG-UHFFFAOYSA-N 1 0 449.893 3.185 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)COc3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836638 720602561 /nfs/dbraw/zinc/60/25/61/720602561.db2.gz GAPJYQGVTRLKES-IXDOHACOSA-N 1 0 440.926 3.172 20 0 IGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164845375 720699961 /nfs/dbraw/zinc/69/99/61/720699961.db2.gz YYLXBBKOFQNXSH-QGZVFWFLSA-N 1 0 426.948 3.238 20 0 IGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164836437 720720397 /nfs/dbraw/zinc/72/03/97/720720397.db2.gz AKAWSSLYEWEWCY-NRFANRHFSA-N 1 0 439.629 3.290 20 0 IGADRO COC(=O)c1ccc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1Cl ZINC001164838693 720736131 /nfs/dbraw/zinc/73/61/31/720736131.db2.gz XJVLHPMDFNTPOT-UHFFFAOYSA-N 1 0 439.894 3.315 20 0 IGADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751277 720803067 /nfs/dbraw/zinc/80/30/67/720803067.db2.gz XTTDHZUIKHDWCP-WBVHZDCISA-N 1 0 442.882 3.193 20 0 IGADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745994 720820647 /nfs/dbraw/zinc/82/06/47/720820647.db2.gz XRFYIZRUUVCRGZ-XYJFISCASA-N 1 0 438.910 3.131 20 0 IGADRO 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C[NH+](C)CCOCc1ncn2c1CN(c1nccc(SCc3ccccc3)n1)CCC2 ZINC001165003814 722257593 /nfs/dbraw/zinc/25/75/93/722257593.db2.gz IJNZOGINEYCGKU-UHFFFAOYSA-N 1 0 438.601 3.454 20 0 IGADRO C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164391745 718824355 /nfs/dbraw/zinc/82/43/55/718824355.db2.gz WXAZVKZFJQANEM-MSOLQXFVSA-N 1 0 427.618 3.123 20 0 IGADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164404226 718863891 /nfs/dbraw/zinc/86/38/91/718863891.db2.gz ANGDXDZXWLXKQZ-IEBWSBKVSA-N 1 0 441.645 3.371 20 0 IGADRO C(c1nc2sc3c(c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1)CCC3)N1CCOCC1 ZINC001164418592 718892870 /nfs/dbraw/zinc/89/28/70/718892870.db2.gz PEFQHWSOYNFMFF-LJQANCHMSA-N 1 0 441.645 3.371 20 0 IGADRO Fc1ccccc1-c1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c(Cl)nn1 ZINC001164425524 718919175 /nfs/dbraw/zinc/91/91/75/718919175.db2.gz STKJULCQZONIQZ-IBGZPJMESA-N 1 0 442.869 3.066 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(C)n1)C2 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COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)C2 ZINC001164817378 720181867 /nfs/dbraw/zinc/18/18/67/720181867.db2.gz PDWRPKORYSMPPU-DFBJGRDBSA-N 1 0 438.572 3.346 20 0 IGADRO Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)cc1Cl ZINC001164713979 720192371 /nfs/dbraw/zinc/19/23/71/720192371.db2.gz FKMKUXYNQKOWJM-KRWDZBQOSA-N 1 0 425.364 3.042 20 0 IGADRO CC(C)c1ccc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164713429 720198163 /nfs/dbraw/zinc/19/81/63/720198163.db2.gz CFQVKGDHGOXPFZ-JOCHJYFZSA-N 1 0 435.576 3.098 20 0 IGADRO CCc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164715595 720199845 /nfs/dbraw/zinc/19/98/45/720199845.db2.gz LDTWCYQKQCIAIT-HSZRJFAPSA-N 1 0 447.587 3.051 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3c(F)cccc13)[C@H]2COCC[NH+]1CCCC1 ZINC001164720384 720205070 /nfs/dbraw/zinc/20/50/70/720205070.db2.gz ZZCFNSCSWDJNKJ-IBGZPJMESA-N 1 0 444.942 3.372 20 0 IGADRO Cc1nc2cc(Cl)ccc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164814738 720223987 /nfs/dbraw/zinc/22/39/87/720223987.db2.gz XKFZYEIRKXCDRN-UHFFFAOYSA-N 1 0 426.952 3.399 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3[nH]c4cc(F)ccc4c31)CCC2 ZINC001164816905 720247361 /nfs/dbraw/zinc/24/73/61/720247361.db2.gz NWSIISFJIALAQF-UHFFFAOYSA-N 1 0 435.507 3.057 20 0 IGADRO COCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccccc2)n1 ZINC001164821620 720295911 /nfs/dbraw/zinc/29/59/11/720295911.db2.gz LLRUMOAQCXVPLJ-XZOQPEGZSA-N 1 0 449.599 3.202 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)COc2ccnc(Cl)c2)CC1 ZINC001164823804 720315638 /nfs/dbraw/zinc/31/56/38/720315638.db2.gz PXDVLBYKBAVVSY-QZTJIDSGSA-N 1 0 442.938 3.114 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ccc2F)CC1 ZINC001164831351 720316179 /nfs/dbraw/zinc/31/61/79/720316179.db2.gz RJVCBGDVCCRFCM-CVEARBPZSA-N 1 0 430.902 3.331 20 0 IGADRO Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164830257 720321536 /nfs/dbraw/zinc/32/15/36/720321536.db2.gz PHSGNSZTHMJWNP-SJORKVTESA-N 1 0 426.939 3.500 20 0 IGADRO CCCN(CCC)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164833382 720328975 /nfs/dbraw/zinc/32/89/75/720328975.db2.gz WKKRDPFHKXSXAR-RTWAWAEBSA-N 1 0 428.625 3.015 20 0 IGADRO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164823322 720331982 /nfs/dbraw/zinc/33/19/82/720331982.db2.gz AOCLLLLTASOAFD-DNQXCXABSA-N 1 0 448.615 3.121 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001164822342 720344563 /nfs/dbraw/zinc/34/45/63/720344563.db2.gz DHUJPVFVCCMDAR-SFTDATJTSA-N 1 0 441.526 3.333 20 0 IGADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721658 720380198 /nfs/dbraw/zinc/38/01/98/720380198.db2.gz AIGLEGLJFDEPIA-KURKYZTESA-N 1 0 439.951 3.427 20 0 IGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723077 720382066 /nfs/dbraw/zinc/38/20/66/720382066.db2.gz GADLNRDQOYGAFF-GJZGRUSLSA-N 1 0 433.965 3.277 20 0 IGADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c1 ZINC001164723075 720466563 /nfs/dbraw/zinc/46/65/63/720466563.db2.gz BTWCYJWQWVPZAL-RPBOFIJWSA-N 1 0 442.567 3.228 20 0 IGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)C1 ZINC001164735483 720523212 /nfs/dbraw/zinc/52/32/12/720523212.db2.gz YPERVWNZOMFKMI-AWEZNQCLSA-N 1 0 433.894 3.131 20 0 IGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)C1 ZINC001164733863 720528632 /nfs/dbraw/zinc/52/86/32/720528632.db2.gz MAFSDTMMNNCYPA-QVKFZJNVSA-N 1 0 430.915 3.319 20 0 IGADRO COc1ccccc1Oc1nc(Cl)ncc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164733998 720533996 /nfs/dbraw/zinc/53/39/96/720533996.db2.gz FSOXZNPXHJAOTN-OAHLLOKOSA-N 1 0 428.924 3.325 20 0 IGADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164834970 720545183 /nfs/dbraw/zinc/54/51/83/720545183.db2.gz 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CN(C)c1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911170 721541511 /nfs/dbraw/zinc/54/15/11/721541511.db2.gz VPPRUKSVCWTMPF-FPOVZHCZSA-N 1 0 434.519 3.086 20 0 IGADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906371 721546739 /nfs/dbraw/zinc/54/67/39/721546739.db2.gz KFMIFALPYXHFNJ-QUCCMNQESA-N 1 0 442.535 3.040 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902675 721549232 /nfs/dbraw/zinc/54/92/32/721549232.db2.gz AWNSGBYMHMJIRZ-ZFWWWQNUSA-N 1 0 428.842 3.165 20 0 IGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)C1 ZINC001164910310 721552603 /nfs/dbraw/zinc/55/26/03/721552603.db2.gz WGAUQBGVDGXOCR-RZFNWQHOSA-N 1 0 438.547 3.435 20 0 IGADRO CC1CCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CC1 ZINC001164908574 721553481 /nfs/dbraw/zinc/55/34/81/721553481.db2.gz QMOUICJBLRZCLN-FYYLOGMGSA-N 1 0 438.547 3.435 20 0 IGADRO CCOC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1Cl ZINC001164800254 721570294 /nfs/dbraw/zinc/57/02/94/721570294.db2.gz DLHHBEPJUWUWEV-LVCYWYKZSA-N 1 0 430.936 3.175 20 0 IGADRO FC1(F)CCN(c2ccc(CN3CCOCC3)cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907906 721585752 /nfs/dbraw/zinc/58/57/52/721585752.db2.gz WHZZQZDSOIEMEC-HSZRJFAPSA-N 1 0 443.542 3.047 20 0 IGADRO Cn1c(=O)ccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164907379 721706314 /nfs/dbraw/zinc/70/63/14/721706314.db2.gz RHVDDPJNXQUQSB-JOCHJYFZSA-N 1 0 425.483 3.066 20 0 IGADRO CCOC(=O)c1c(C)ncnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908720 721706999 /nfs/dbraw/zinc/70/69/99/721706999.db2.gz YUMNJELYDSDTMU-NRFANRHFSA-N 1 0 431.487 3.094 20 0 IGADRO O=C1[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2CN1c1cccnc1 ZINC001165024870 721789981 /nfs/dbraw/zinc/78/99/81/721789981.db2.gz UDHSTBBRASRLDA-FYYLOGMGSA-N 1 0 425.536 3.134 20 0 IGADRO O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2CN1c1cccnc1 ZINC001165025231 721793755 /nfs/dbraw/zinc/79/37/55/721793755.db2.gz UTANEGGVEIUFHI-DNVCBOLYSA-N 1 0 445.901 3.151 20 0 IGADRO CCOC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022681 721813122 /nfs/dbraw/zinc/81/31/22/721813122.db2.gz GPYIUAHYDZFNNW-DBVUQKKJSA-N 1 0 443.979 3.368 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3N3CCOCC3)C[C@@H]21 ZINC001165028964 721813181 /nfs/dbraw/zinc/81/31/81/721813181.db2.gz YFDDFYAWPKLCGK-YZGWKJHDSA-N 1 0 442.995 3.099 20 0 IGADRO CCOC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022683 721813261 /nfs/dbraw/zinc/81/32/61/721813261.db2.gz GPYIUAHYDZFNNW-FFZOFVMBSA-N 1 0 443.979 3.368 20 0 IGADRO CN1CCOc2c(Cl)nnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165030169 721821297 /nfs/dbraw/zinc/82/12/97/721821297.db2.gz YDJZPNLCIUBPEF-RYQLBKOJSA-N 1 0 428.968 3.091 20 0 IGADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1C ZINC001165026026 721822628 /nfs/dbraw/zinc/82/26/28/721822628.db2.gz OBSGFTQWVBLHCY-SZMVWBNQSA-N 1 0 425.968 3.457 20 0 IGADRO CN1CCc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2C1 ZINC001165021323 721829964 /nfs/dbraw/zinc/82/99/64/721829964.db2.gz DYQUQKHAYPVNRV-CDXJDZJCSA-N 1 0 426.996 3.250 20 0 IGADRO CCNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165029030 721832079 /nfs/dbraw/zinc/83/20/79/721832079.db2.gz WLMFRNZXXYMFIS-KVSKMBFKSA-N 1 0 428.968 3.012 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(Cn3ccccc3=O)cn2)CC1 ZINC001165023394 721843954 /nfs/dbraw/zinc/84/39/54/721843954.db2.gz ZPHQCDJQGRLWKE-UHFFFAOYSA-N 1 0 448.567 3.410 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2CN(C)CC3)CC1 ZINC001165031134 721844782 /nfs/dbraw/zinc/84/47/82/721844782.db2.gz UMUXDAMDRPULSH-UHFFFAOYSA-N 1 0 445.995 3.236 20 0 IGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccn2)c(-c2ccccn2)nc1Cl ZINC001164931864 721889690 /nfs/dbraw/zinc/88/96/90/721889690.db2.gz GIUOGAMNHNFWOM-VQTJNVASSA-N 1 0 449.990 3.469 20 0 IGADRO CCOC(=O)c1sc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2c1C ZINC000018899041 721952320 /nfs/dbraw/zinc/95/23/20/721952320.db2.gz ZUPWYIUJCXJONX-UHFFFAOYSA-N 1 0 426.542 3.377 20 0 IGADRO CC1(C)C(=O)NCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165050755 721994887 /nfs/dbraw/zinc/99/48/87/721994887.db2.gz ADVXFGBWWFLWNQ-UHFFFAOYSA-N 1 0 440.975 3.471 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)nc1 ZINC001164952735 722010808 /nfs/dbraw/zinc/01/08/08/722010808.db2.gz AYVOMEQFLLYTOT-IMSXRSKXSA-N 1 0 429.609 3.418 20 0 IGADRO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952530 722018183 /nfs/dbraw/zinc/01/81/83/722018183.db2.gz MZNUCDBYQHTYLI-UHFFFAOYSA-N 1 0 429.952 3.256 20 0 IGADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955464 722019717 /nfs/dbraw/zinc/01/97/17/722019717.db2.gz HTRPBLPBYOSFOS-UHFFFAOYSA-N 1 0 437.588 3.446 20 0 IGADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955918 722021468 /nfs/dbraw/zinc/02/14/68/722021468.db2.gz SPQSKHJHKWBCCS-UHFFFAOYSA-N 1 0 440.935 3.285 20 0 IGADRO CSc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(SC)n1 ZINC001164966916 722062410 /nfs/dbraw/zinc/06/24/10/722062410.db2.gz ZABVULSTBRBYQO-UHFFFAOYSA-N 1 0 431.631 3.434 20 0 IGADRO Clc1cc(-c2ccncc2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164986052 722104193 /nfs/dbraw/zinc/10/41/93/722104193.db2.gz XVBHFCVJPBNTNM-PZJWPPBQSA-N 1 0 436.947 3.314 20 0 IGADRO c1ccc(COc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164983923 722106302 /nfs/dbraw/zinc/10/63/02/722106302.db2.gz RCFRUVJMDXURQO-PKTZIBPZSA-N 1 0 431.540 3.178 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)c1C ZINC001164981018 722127973 /nfs/dbraw/zinc/12/79/73/722127973.db2.gz SAZYRORUYQZEPN-QZTJIDSGSA-N 1 0 437.922 3.414 20 0 IGADRO COC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979569 722129690 /nfs/dbraw/zinc/12/96/90/722129690.db2.gz LFBSZILPCQVMNT-REWPJTCUSA-N 1 0 432.524 3.144 20 0 IGADRO c1ccc(COc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cn2)cc1 ZINC001164984924 722133229 /nfs/dbraw/zinc/13/32/29/722133229.db2.gz YLFWGWCCMKDCJO-GOTSBHOMSA-N 1 0 431.540 3.178 20 0 IGADRO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164978027 722134417 /nfs/dbraw/zinc/13/44/17/722134417.db2.gz JDUPJUAAZYHQRJ-RDGATRHJSA-N 1 0 444.583 3.332 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@@H]3C2)c1 ZINC001164985503 722149515 /nfs/dbraw/zinc/14/95/15/722149515.db2.gz ZQZGBWZKPWXCFG-ZJSXRUAMSA-N 1 0 442.567 3.150 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]32)cs1 ZINC001164992904 722185005 /nfs/dbraw/zinc/18/50/05/722185005.db2.gz XUZJOIJISMOTFJ-FGZHOGPDSA-N 1 0 427.618 3.312 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ncc1-c1ccccc1)CCC2 ZINC001165001555 722253598 /nfs/dbraw/zinc/25/35/98/722253598.db2.gz BTTMHYGNEKDAQF-UHFFFAOYSA-N 1 0 426.952 3.482 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(NC(=O)OC(C)(C)C)cn1)CCC2 ZINC001165001824 722256125 /nfs/dbraw/zinc/25/61/25/722256125.db2.gz GNTXYKXLLAWGIX-UHFFFAOYSA-N 1 0 430.553 3.114 20 0 IGADRO CCc1nc2sc3c(c2c(N2CCCn4cnc(COCC[NH+](C)C)c4C2)n1)CCC3 ZINC001165004890 722256356 /nfs/dbraw/zinc/25/63/56/722256356.db2.gz WLQXUYGHJWMLEE-UHFFFAOYSA-N 1 0 440.617 3.427 20 0 IGADRO Cc1ccc(-c2nc3c(ncnc3N3CCCn4cnc(COCC[NH+](C)C)c4C3)o2)cc1 ZINC001165004881 722256658 /nfs/dbraw/zinc/25/66/58/722256658.db2.gz WHCVJRNLIZVCPL-UHFFFAOYSA-N 1 0 447.543 3.278 20 0 IGADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1Cl ZINC001164387152 718814026 /nfs/dbraw/zinc/81/40/26/718814026.db2.gz DIWXQKUSQICAFM-ZDUSSCGKSA-N 1 0 442.816 3.362 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164391149 718824341 /nfs/dbraw/zinc/82/43/41/718824341.db2.gz SWSYXEQBIKXTKG-BHIYHBOVSA-N 1 0 441.645 3.369 20 0 IGADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@H]3C2)c(Cl)nn1 ZINC001164399864 718844257 /nfs/dbraw/zinc/84/42/57/718844257.db2.gz IJEHEYGHLFULOV-LBPRGKRZSA-N 1 0 447.839 3.455 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4C[C@@]4([NH3+])C3)c2c1C ZINC001164418226 718896539 /nfs/dbraw/zinc/89/65/39/718896539.db2.gz CENXSPGMWQYVKH-OYHNWAKOSA-N 1 0 429.590 3.090 20 0 IGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)[C@H]2C)n1 ZINC001164428253 718951642 /nfs/dbraw/zinc/95/16/42/718951642.db2.gz ILBIKGBPTRTHNV-OAQYLSRUSA-N 1 0 449.599 3.167 20 0 IGADRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCc3ccc(Cl)cc3)C[C@H]21 ZINC001164439471 718985006 /nfs/dbraw/zinc/98/50/06/718985006.db2.gz DAVSTOHUTFCRHE-WDNDVIMCSA-N 1 0 429.254 3.079 20 0 IGADRO 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CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164616172 719009441 /nfs/dbraw/zinc/00/94/41/719009441.db2.gz KMTACQDBZVUPOL-YWZLYKJASA-N 1 0 442.938 3.441 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)COc3ccnc(Cl)c3)CC2)CC1 ZINC001164614063 719026139 /nfs/dbraw/zinc/02/61/39/719026139.db2.gz MGTBRIZEVJBNDK-UHFFFAOYSA-N 1 0 431.911 3.446 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)N3CCC(C)CC3)CC2)CC1 ZINC001164616453 719031488 /nfs/dbraw/zinc/03/14/88/719031488.db2.gz CMIDMXQGHMXBJM-UHFFFAOYSA-N 1 0 442.604 3.198 20 0 IGADRO c1nc2c(nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2N2CCOCC2)s1 ZINC001164627958 719068942 /nfs/dbraw/zinc/06/89/42/719068942.db2.gz RMUIDPVIJCJYEF-RTBURBONSA-N 1 0 436.585 3.024 20 0 IGADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164629463 719137371 /nfs/dbraw/zinc/13/73/71/719137371.db2.gz BJBGISFRBFTOEH-KRWDZBQOSA-N 1 0 432.858 3.446 20 0 IGADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC001164632942 719170945 /nfs/dbraw/zinc/17/09/45/719170945.db2.gz GAIBVQVZWCFKFB-CABCVRRESA-N 1 0 433.965 3.159 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)c23)C1 ZINC001164667892 719442934 /nfs/dbraw/zinc/44/29/34/719442934.db2.gz IEABGVWDSJKXAJ-NZSAHSFTSA-N 1 0 441.645 3.321 20 0 IGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682609 719619372 /nfs/dbraw/zinc/61/93/72/719619372.db2.gz OKCQVHYUZSQDDK-UHFFFAOYSA-N 1 0 442.951 3.132 20 0 IGADRO CC(C)N(C)Cc1nn(-c2ncnc3c2ccn3Cc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164683453 719625449 /nfs/dbraw/zinc/62/54/49/719625449.db2.gz SNDNAMDYLSFEMK-UHFFFAOYSA-N 1 0 433.535 3.290 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)c2c1CC[NH2+]C2 ZINC001164680520 719643068 /nfs/dbraw/zinc/64/30/68/719643068.db2.gz TZDKVOAAJRAECD-UHFFFAOYSA-N 1 0 447.921 3.472 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncc(Cl)n3)CC2)c2ccccc21 ZINC001164679930 719657523 /nfs/dbraw/zinc/65/75/23/719657523.db2.gz ALFHMHJYCWGTDJ-QGZVFWFLSA-N 1 0 427.980 3.223 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N)cc(Cl)n3)CC2)c2ccccc21 ZINC001164681663 719664767 /nfs/dbraw/zinc/66/47/67/719664767.db2.gz PQNHLMJGZWTDKL-QGZVFWFLSA-N 1 0 442.007 3.411 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nnc(Cl)cc3F)CC2)c2ccccc21 ZINC001164681175 719669131 /nfs/dbraw/zinc/66/91/31/719669131.db2.gz KJURNFWCIUGOCD-MRXNPFEDSA-N 1 0 445.970 3.363 20 0 IGADRO COc1cc(C)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680852 719675221 /nfs/dbraw/zinc/67/52/21/719675221.db2.gz IBSXXYZOWSWBKD-FQEVSTJZSA-N 1 0 436.600 3.492 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)CC2 ZINC001164689545 719740041 /nfs/dbraw/zinc/74/00/41/719740041.db2.gz HGOFRGWTNYUCTF-IBGZPJMESA-N 1 0 436.604 3.189 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164812332 720084109 /nfs/dbraw/zinc/08/41/09/720084109.db2.gz QPKQWOZEHXLTPE-KCWPFWIISA-N 1 0 447.627 3.220 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164710370 720095718 /nfs/dbraw/zinc/09/57/18/720095718.db2.gz JHRGBVLIVFCMNO-GOSISDBHSA-N 1 0 444.963 3.424 20 0 IGADRO CCOC(=O)Cc1cccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712522 720100656 /nfs/dbraw/zinc/10/06/56/720100656.db2.gz WQMDWNVFKLTYIE-QFIPXVFZSA-N 1 0 438.572 3.090 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164718013 720107953 /nfs/dbraw/zinc/10/79/53/720107953.db2.gz QBDJMXXAFSTRLU-QGZVFWFLSA-N 1 0 429.952 3.063 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ncn(C(C)C)c3n1)CC2 ZINC001164713946 720143065 /nfs/dbraw/zinc/14/30/65/720143065.db2.gz UGWXVNTUCPXVLQ-HXUWFJFHSA-N 1 0 435.576 3.310 20 0 IGADRO CCCNC(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164711751 720143628 /nfs/dbraw/zinc/14/36/28/720143628.db2.gz JMDPUCHOPAMXPM-QFIPXVFZSA-N 1 0 437.588 3.124 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)C2 ZINC001164819548 720167538 /nfs/dbraw/zinc/16/75/38/720167538.db2.gz XSZBMYFEABWQPS-DHLKQENFSA-N 1 0 426.605 3.138 20 0 IGADRO Cn1nnc2c1CCN(c1c(Cl)cc(Cl)nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715961 720174278 /nfs/dbraw/zinc/17/42/78/720174278.db2.gz FQBPULTUVGXXIT-CQSZACIVSA-N 1 0 445.782 3.387 20 0 IGADRO Cc1ccc(C)c(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)c1 ZINC001164714719 720199017 /nfs/dbraw/zinc/19/90/17/720199017.db2.gz HPVCMFRLMDHDIL-QHCPKHFHSA-N 1 0 447.587 3.105 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3c(F)cccc13)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720385 720204604 /nfs/dbraw/zinc/20/46/04/720204604.db2.gz ZZCFNSCSWDJNKJ-LJQANCHMSA-N 1 0 444.942 3.372 20 0 IGADRO COc1ccc2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164810810 720209602 /nfs/dbraw/zinc/20/96/02/720209602.db2.gz CUUPPAMKLUWGCY-UHFFFAOYSA-N 1 0 442.951 3.099 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(-c3ccc(N(C)C)cc3)n1)CCC2 ZINC001164814476 720232369 /nfs/dbraw/zinc/23/23/69/720232369.db2.gz UNONRACKZMGSQJ-UHFFFAOYSA-N 1 0 447.587 3.017 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3nc(Cl)cnc3cc1F)CCC2 ZINC001164814469 720240500 /nfs/dbraw/zinc/24/05/00/720240500.db2.gz UHHLCAIHGVANFH-UHFFFAOYSA-N 1 0 430.915 3.230 20 0 IGADRO CCN(c1ccccc1)c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncn1 ZINC001164813472 720241912 /nfs/dbraw/zinc/24/19/12/720241912.db2.gz OSOSOLVKYGBVBA-UHFFFAOYSA-N 1 0 447.587 3.442 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)cc2-c2ccncc2)CC1 ZINC001164820969 720300251 /nfs/dbraw/zinc/30/02/51/720300251.db2.gz IMTFMPHCLYMKJX-WOJBJXKFSA-N 1 0 440.979 3.104 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c(F)cccc32)CC1 ZINC001164822611 720314271 /nfs/dbraw/zinc/31/42/71/720314271.db2.gz NMAZHZAIQHJEAL-ROUUACIJSA-N 1 0 431.943 3.334 20 0 IGADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829809 720319143 /nfs/dbraw/zinc/31/91/43/720319143.db2.gz NUYDKYDMLSZAQN-ZWKOTPCHSA-N 1 0 426.939 3.500 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2n1 ZINC001164832873 720321778 /nfs/dbraw/zinc/32/17/78/720321778.db2.gz UNWHJMQJZMTVMU-ROUUACIJSA-N 1 0 443.979 3.203 20 0 IGADRO Cc1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164830251 720321832 /nfs/dbraw/zinc/32/18/32/720321832.db2.gz PHSGNSZTHMJWNP-IAGOWNOFSA-N 1 0 426.939 3.500 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828434 720323256 /nfs/dbraw/zinc/32/32/56/720323256.db2.gz JLWJNTJXYYRDIM-OALUTQOASA-N 1 0 448.995 3.132 20 0 IGADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831366 720326733 /nfs/dbraw/zinc/32/67/33/720326733.db2.gz RMJLHQRJVPLKAF-SJORKVTESA-N 1 0 426.939 3.500 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3c(n2)-c2ccccc2CC3)CC1 ZINC001164831955 720331937 /nfs/dbraw/zinc/33/19/37/720331937.db2.gz SKIABYGKSNCLLQ-DHIUTWEWSA-N 1 0 431.584 3.154 20 0 IGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164828963 720334146 /nfs/dbraw/zinc/33/41/46/720334146.db2.gz KXVTVAMJLCXADZ-QZTJIDSGSA-N 1 0 430.984 3.085 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c(Cl)nccc32)CC1 ZINC001164833344 720335931 /nfs/dbraw/zinc/33/59/31/720335931.db2.gz VZTNQQNPZOQRGV-HZPDHXFCSA-N 1 0 449.386 3.243 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164822846 720337591 /nfs/dbraw/zinc/33/75/91/720337591.db2.gz FVYIPTAPKHGSJJ-XZOQPEGZSA-N 1 0 435.572 3.064 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3nc(Cl)cnc3cc2F)CC1 ZINC001164830059 720343723 /nfs/dbraw/zinc/34/37/23/720343723.db2.gz VDQUWRNRIXKKQP-MOPGFXCFSA-N 1 0 431.943 3.334 20 0 IGADRO CSc1ccc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164821543 720351380 /nfs/dbraw/zinc/35/13/80/720351380.db2.gz AQFHIFJXCKZPJY-RTWAWAEBSA-N 1 0 425.602 3.263 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3[nH]c4cc(F)ccc4c32)CC1 ZINC001164828698 720355012 /nfs/dbraw/zinc/35/50/12/720355012.db2.gz PKTRWWCMYDTSNQ-UXHICEINSA-N 1 0 436.535 3.162 20 0 IGADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)OCC ZINC001164723032 720385213 /nfs/dbraw/zinc/38/52/13/720385213.db2.gz FPFLMEIMZFZZSE-OALUTQOASA-N 1 0 431.968 3.320 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC[C@@H]21 ZINC001164834588 720518861 /nfs/dbraw/zinc/51/88/61/720518861.db2.gz GPGVQAGBWXKNST-FHWLQOOXSA-N 1 0 441.580 3.398 20 0 IGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)C1 ZINC001164733865 720528318 /nfs/dbraw/zinc/52/83/18/720528318.db2.gz MAFSDTMMNNCYPA-VFNWGFHPSA-N 1 0 430.915 3.319 20 0 IGADRO COc1cccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001164734314 720533910 /nfs/dbraw/zinc/53/39/10/720533910.db2.gz HTRLZUNGBMLBSR-HNNXBMFYSA-N 1 0 428.924 3.325 20 0 IGADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164734271 720546331 /nfs/dbraw/zinc/54/63/31/720546331.db2.gz HSTUFPJLLOATGD-BFUOFWGJSA-N 1 0 436.906 3.451 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(-c4ccccc4)nc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842103 720561573 /nfs/dbraw/zinc/56/15/73/720561573.db2.gz WNIPCLNFBRVENL-FDFHNCONSA-N 1 0 446.603 3.179 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838767 720588238 /nfs/dbraw/zinc/58/82/38/720588238.db2.gz LPYXLLGAYVADFS-BFYDXBDKSA-N 1 0 440.926 3.258 20 0 IGADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)no1 ZINC001164842737 720597387 /nfs/dbraw/zinc/59/73/87/720597387.db2.gz VIGRQBIJBIOLOP-SFHLNBCPSA-N 1 0 449.559 3.205 20 0 IGADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164840236 720638757 /nfs/dbraw/zinc/63/87/57/720638757.db2.gz PFOKWATWBPGEJR-MBOZVWFJSA-N 1 0 431.968 3.404 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)CC[C@@H]21 ZINC001164837005 720647859 /nfs/dbraw/zinc/64/78/59/720647859.db2.gz AQTPAIXQZOERJO-NJAFHUGGSA-N 1 0 425.911 3.093 20 0 IGADRO COC(=O)CSc1cncc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839015 720719144 /nfs/dbraw/zinc/71/91/44/720719144.db2.gz KHCGIGLHIVWIEJ-LJQANCHMSA-N 1 0 442.585 3.002 20 0 IGADRO F[C@H](Oc1ccc(Cl)nc1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843964 720742615 /nfs/dbraw/zinc/74/26/15/720742615.db2.gz NCWCCFCOWRPYJF-FQEVSTJZSA-N 1 0 428.899 3.220 20 0 IGADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164751276 720802782 /nfs/dbraw/zinc/80/27/82/720802782.db2.gz XTTDHZUIKHDWCP-RDJZCZTQSA-N 1 0 442.882 3.193 20 0 IGADRO Fc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164742695 720814935 /nfs/dbraw/zinc/81/49/35/720814935.db2.gz DAUWGZMMKYXFON-BFYDXBDKSA-N 1 0 440.901 3.390 20 0 IGADRO Clc1ncnc2scc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164741744 720822926 /nfs/dbraw/zinc/82/29/26/720822926.db2.gz OCJIHNAEMHBMMB-HRCADAONSA-N 1 0 429.981 3.316 20 0 IGADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164743833 720828055 /nfs/dbraw/zinc/82/80/55/720828055.db2.gz SSIJZNLBVPEPNB-NJDAHSKKSA-N 1 0 438.576 3.008 20 0 IGADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5[nH]c6ccccc6c54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741166 720832672 /nfs/dbraw/zinc/83/26/72/720832672.db2.gz DNHFOFIFPXMXHS-BBTUJRGHSA-N 1 0 428.544 3.082 20 0 IGADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743544 720833000 /nfs/dbraw/zinc/83/30/00/720833000.db2.gz JBXDWQQNDOPPPL-ARFHVFGLSA-N 1 0 444.996 3.019 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164745204 720847672 /nfs/dbraw/zinc/84/76/72/720847672.db2.gz MRCPYIBNQVUGKT-TXTKFYIRSA-N 1 0 445.571 3.123 20 0 IGADRO CCc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745192 720851062 /nfs/dbraw/zinc/85/10/62/720851062.db2.gz MNNQCNMYWZCKIM-HRCADAONSA-N 1 0 436.391 3.317 20 0 IGADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745477 720858225 /nfs/dbraw/zinc/85/82/25/720858225.db2.gz DSUBWGSGUUOZPV-YQQAZPJKSA-N 1 0 436.391 3.317 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164853108 720863835 /nfs/dbraw/zinc/86/38/35/720863835.db2.gz GMPCIVLKUQMPGW-PBHICJAKSA-N 1 0 426.895 3.002 20 0 IGADRO COC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749686 720871241 /nfs/dbraw/zinc/87/12/41/720871241.db2.gz HQAYJUPRLHEFNU-WIOPSUGQSA-N 1 0 436.556 3.018 20 0 IGADRO 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CC(C)Oc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752817 720914715 /nfs/dbraw/zinc/91/47/15/720914715.db2.gz OZKYYUCDCWJDRZ-RDGATRHJSA-N 1 0 437.588 3.414 20 0 IGADRO CC(C)Oc1nccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752694 720925686 /nfs/dbraw/zinc/92/56/86/720925686.db2.gz OLPFGPOOJPBDON-RCZVLFRGSA-N 1 0 437.588 3.414 20 0 IGADRO Cc1cnc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755033 720926246 /nfs/dbraw/zinc/92/62/46/720926246.db2.gz XWCCTLRSZLZNBC-BKMJKUGQSA-N 1 0 444.583 3.483 20 0 IGADRO CCOC(=O)c1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2s1 ZINC001164863477 720979386 /nfs/dbraw/zinc/97/93/86/720979386.db2.gz VRLMGXTUTKVPRI-CQSZACIVSA-N 1 0 428.562 3.486 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)nc1 ZINC001164757348 721000448 /nfs/dbraw/zinc/00/04/48/721000448.db2.gz OMBPJWPRANFFRE-CIAFKFPVSA-N 1 0 429.609 3.131 20 0 IGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)[C@H]2C ZINC001164861225 721016729 /nfs/dbraw/zinc/01/67/29/721016729.db2.gz NUVAHKKNLYYPBK-ZDUSSCGKSA-N 1 0 427.931 3.359 20 0 IGADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCC[C@H]5C(N)=O)ncn4)CC3)CC2)cc1 ZINC001164758819 721046784 /nfs/dbraw/zinc/04/67/84/721046784.db2.gz BVLFEBLTKLQSGR-QFIPXVFZSA-N 1 0 448.615 3.122 20 0 IGADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868017 721054098 /nfs/dbraw/zinc/05/40/98/721054098.db2.gz MBXXXJZPRYAICV-KGLIPLIRSA-N 1 0 430.286 3.203 20 0 IGADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164866407 721076455 /nfs/dbraw/zinc/07/64/55/721076455.db2.gz TZTUXJGCKKYALN-AEFFLSMTSA-N 1 0 425.920 3.167 20 0 IGADRO CCOC(=O)c1cc2c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164866352 721106715 /nfs/dbraw/zinc/10/67/15/721106715.db2.gz SOGMCKSRYSZVFC-VQTJNVASSA-N 1 0 449.555 3.231 20 0 IGADRO 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CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cccnc3)C2)nc1 ZINC001164788540 721381679 /nfs/dbraw/zinc/38/16/79/721381679.db2.gz ZPFJMPHDJSXXSX-LYGMZBLVSA-N 1 0 449.599 3.437 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccnc4C4SCCCS4)C3)O2)CC1 ZINC001164889363 721398962 /nfs/dbraw/zinc/39/89/62/721398962.db2.gz LUIOJXRFPGPVSK-GCJKJVERSA-N 1 0 449.690 3.111 20 0 IGADRO Cc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888352 721401245 /nfs/dbraw/zinc/40/12/45/721401245.db2.gz OKBYGDDENMHGBM-WZONZLPQSA-N 1 0 429.996 3.357 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5cccc(F)c54)C3)O2)CC1 ZINC001164883500 721401319 /nfs/dbraw/zinc/40/13/19/721401319.db2.gz AFBOMUTXSUDCMI-KSFYIVLOSA-N 1 0 433.959 3.188 20 0 IGADRO CSc1nc2ccsc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891953 721406727 /nfs/dbraw/zinc/40/67/27/721406727.db2.gz WYHKHUKNHXAFKV-IERDGZPVSA-N 1 0 433.647 3.179 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164887747 721407524 /nfs/dbraw/zinc/40/75/24/721407524.db2.gz NEVMGADYTPBGCA-JPYJTQIMSA-N 1 0 434.028 3.164 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164885143 721409705 /nfs/dbraw/zinc/40/97/05/721409705.db2.gz FWUPUDRSKKNCDY-HNAYVOBHSA-N 1 0 432.918 3.184 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5c(n4)-c4ccccc4CC5)C3)O2)CC1 ZINC001164895377 721427499 /nfs/dbraw/zinc/42/74/99/721427499.db2.gz OCSXWBGXRZTSCG-BKMJKUGQSA-N 1 0 433.600 3.008 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O4)n1)CCC3 ZINC001164895800 721433392 /nfs/dbraw/zinc/43/33/92/721433392.db2.gz PQUGDGGQSABMLZ-HOYKHHGWSA-N 1 0 441.645 3.254 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc[nH]c31)CC2 ZINC001164788718 721448556 /nfs/dbraw/zinc/44/85/56/721448556.db2.gz SXXWUEVQUDQZOE-QGZVFWFLSA-N 1 0 433.984 3.345 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cccc(OC)c3n1)CC2 ZINC001164789374 721460974 /nfs/dbraw/zinc/46/09/74/721460974.db2.gz XNIDWCUUYYQASH-NRFANRHFSA-N 1 0 440.588 3.372 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164784866 721464803 /nfs/dbraw/zinc/46/48/03/721464803.db2.gz KNIMGWGSFQVPNJ-QGZVFWFLSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCCC3)ncn1)CC2 ZINC001164787985 721466669 /nfs/dbraw/zinc/46/66/69/721466669.db2.gz HIZRRQFFVLEIKZ-JOCHJYFZSA-N 1 0 443.636 3.201 20 0 IGADRO c1cn2c(n1)CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@H](COCc1ccccn1)C2 ZINC001164887563 721469820 /nfs/dbraw/zinc/46/98/20/721469820.db2.gz BSTVCDCKONTGLR-OAQYLSRUSA-N 1 0 448.571 3.001 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)nc1 ZINC001164791898 721483261 /nfs/dbraw/zinc/48/32/61/721483261.db2.gz KLKUDNURTRSWKJ-YSFYHYPLSA-N 1 0 428.577 3.024 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4ccc(Cl)nc4c2)CC3)CC1 ZINC001164794618 721512825 /nfs/dbraw/zinc/51/28/25/721512825.db2.gz TYBXSTNCNHPUMT-UHFFFAOYSA-N 1 0 446.933 3.397 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccsc4)nc4ccccc42)CC3)CC1 ZINC001164798447 721519657 /nfs/dbraw/zinc/51/96/57/721519657.db2.gz ULYQOBIBKBCBLA-UHFFFAOYSA-N 1 0 445.596 3.322 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C(F)F)nc4ccc(Cl)cc42)CC3)CC1 ZINC001164796542 721521620 /nfs/dbraw/zinc/52/16/20/721521620.db2.gz ZPLDACIKYRPWOS-UHFFFAOYSA-N 1 0 447.921 3.185 20 0 IGADRO CCOC(=O)c1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164907291 721545280 /nfs/dbraw/zinc/54/52/80/721545280.db2.gz MVARGZDGCPPVAJ-NVXWUHKLSA-N 1 0 442.516 3.349 20 0 IGADRO COC(=O)c1c(Cl)cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164909354 721549287 /nfs/dbraw/zinc/54/92/87/721549287.db2.gz RQWZRFPKQKMYAX-GOEBONIOSA-N 1 0 435.883 3.011 20 0 IGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164910911 721553970 /nfs/dbraw/zinc/55/39/70/721553970.db2.gz XNFHWVRXTPIAKM-TZIWHRDSSA-N 1 0 448.498 3.396 20 0 IGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(OCc3ccccc3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164805640 721569797 /nfs/dbraw/zinc/56/97/97/721569797.db2.gz OGEPOMVLUUYTOD-TZBSWOFLSA-N 1 0 431.540 3.319 20 0 IGADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806689 721570312 /nfs/dbraw/zinc/57/03/12/721570312.db2.gz QUGQYZXJYKDGJY-HBLUSQOVSA-N 1 0 447.539 3.012 20 0 IGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164805793 721575522 /nfs/dbraw/zinc/57/55/22/721575522.db2.gz OVZPGUMDTXECIJ-SMIHKQSGSA-N 1 0 444.583 3.493 20 0 IGADRO Cc1cn(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cn1 ZINC001164906498 721716219 /nfs/dbraw/zinc/71/62/19/721716219.db2.gz MJIZZYODMMQCGO-NRFANRHFSA-N 1 0 425.487 3.103 20 0 IGADRO CCc1nc2sc3c(c2c(N2CCCC24CC[NH+](CC(=O)N(C)C)CC4)n1)CCC3 ZINC001165010993 721744201 /nfs/dbraw/zinc/74/42/01/721744201.db2.gz RUFOKMSDRXXMPV-UHFFFAOYSA-N 1 0 427.618 3.265 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccncc3)nc3sccc32)CC1 ZINC001165012789 721749185 /nfs/dbraw/zinc/74/91/85/721749185.db2.gz NLUPZBRGTYOHRI-UHFFFAOYSA-N 1 0 436.585 3.276 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165025673 721788266 /nfs/dbraw/zinc/78/82/66/721788266.db2.gz WGSSCQZWAVIDCV-RDGATRHJSA-N 1 0 444.620 3.109 20 0 IGADRO CN1CCOc2c(Cl)nnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165030170 721821286 /nfs/dbraw/zinc/82/12/86/721821286.db2.gz YDJZPNLCIUBPEF-SZMVWBNQSA-N 1 0 428.968 3.091 20 0 IGADRO CCOC(=O)c1cnc(C)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021307 721839932 /nfs/dbraw/zinc/83/99/32/721839932.db2.gz LDRKNWWLBWNFOD-UHFFFAOYSA-N 1 0 428.533 3.080 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3c(ccn3C)c(OC)n2)CC1 ZINC001165031021 721845032 /nfs/dbraw/zinc/84/50/32/721845032.db2.gz ORYQXQOKVWVQAG-UHFFFAOYSA-N 1 0 425.533 3.095 20 0 IGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001164929414 721879434 /nfs/dbraw/zinc/87/94/34/721879434.db2.gz BGSIJTADGUTBJL-OALUTQOASA-N 1 0 434.613 3.457 20 0 IGADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164929511 721879685 /nfs/dbraw/zinc/87/96/85/721879685.db2.gz BNOSWEODVGURLP-OALUTQOASA-N 1 0 428.650 3.119 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1 ZINC001164935966 721909617 /nfs/dbraw/zinc/90/96/17/721909617.db2.gz QHZHCLNEVLATCM-HSZRJFAPSA-N 1 0 438.620 3.233 20 0 IGADRO CC(=O)Oc1cc2ncnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2cc1OC(C)=O ZINC001165050431 721973500 /nfs/dbraw/zinc/97/35/00/721973500.db2.gz XRTABKUISISKSA-GOSISDBHSA-N 1 0 426.517 3.325 20 0 IGADRO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1Cl ZINC001164959520 722053155 /nfs/dbraw/zinc/05/31/55/722053155.db2.gz LSZMDWMACFMTLE-UHFFFAOYSA-N 1 0 444.963 3.426 20 0 IGADRO Nc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962217 722057271 /nfs/dbraw/zinc/05/72/71/722057271.db2.gz BMPSZLFPSBOJAL-UHFFFAOYSA-N 1 0 437.922 3.376 20 0 IGADRO COC(OC)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963393 722058187 /nfs/dbraw/zinc/05/81/87/722058187.db2.gz YFFPNGXOJKATJT-UHFFFAOYSA-N 1 0 426.561 3.195 20 0 IGADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967887 722072018 /nfs/dbraw/zinc/07/20/18/722072018.db2.gz TXPLPGFDXITEHM-HDICACEKSA-N 1 0 430.911 3.426 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972533 722116288 /nfs/dbraw/zinc/11/62/88/722116288.db2.gz FYCXZNWDCOWFQO-PXNSSMCTSA-N 1 0 439.947 3.414 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164975585 722125194 /nfs/dbraw/zinc/12/51/94/722125194.db2.gz JXCZLSNJWSIGIU-AEFFLSMTSA-N 1 0 438.906 3.411 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985555 722130502 /nfs/dbraw/zinc/13/05/02/722130502.db2.gz ZUIOMHWRXZCVIZ-ZJSXRUAMSA-N 1 0 431.540 3.275 20 0 IGADRO COc1cccc(Oc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164977102 722131245 /nfs/dbraw/zinc/13/12/45/722131245.db2.gz ITAUVXURQIRPFN-NZQKXSOJSA-N 1 0 447.539 3.400 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164985090 722141891 /nfs/dbraw/zinc/14/18/91/722141891.db2.gz ZELPULJERNHFIM-YKSBVNFPSA-N 1 0 431.540 3.275 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3C2)c1 ZINC001164984577 722149183 /nfs/dbraw/zinc/14/91/83/722149183.db2.gz XEFNXLPIMXQQDI-XUZZJYLKSA-N 1 0 442.567 3.150 20 0 IGADRO CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164994316 722214606 /nfs/dbraw/zinc/21/46/06/722214606.db2.gz ALRJLLFZQVSDIU-QTJGBDASSA-N 1 0 434.584 3.148 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](OCCOC)[C@@H]2Cc2cnn(C)c2)nc1 ZINC001164998397 722225220 /nfs/dbraw/zinc/22/52/20/722225220.db2.gz BHBXFRLUIGMKFM-XPWALMASSA-N 1 0 427.593 3.215 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ccn3Cc1ccccc1)CCC2 ZINC001165002909 722254090 /nfs/dbraw/zinc/25/40/90/722254090.db2.gz XERNCJFOUGYUFG-UHFFFAOYSA-N 1 0 445.571 3.165 20 0 IGADRO CCOC(=O)c1cc2ccccc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002875 722254890 /nfs/dbraw/zinc/25/48/90/722254890.db2.gz VRIMCYAMBCENSN-UHFFFAOYSA-N 1 0 437.544 3.097 20 0 IGADRO O=C(c1cccnc1N1CCCC[C@H]1C1CC[NH2+]CC1)N1CCN(Cc2ccccc2)CC1 ZINC001164419992 718892704 /nfs/dbraw/zinc/89/27/04/718892704.db2.gz SRGOVMHJGDOZHK-VWLOTQADSA-N 1 0 447.627 3.398 20 0 IGADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164426321 718914487 /nfs/dbraw/zinc/91/44/87/718914487.db2.gz ZVXTUZCSNBOSSE-KRWDZBQOSA-N 1 0 433.286 3.067 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164617106 719006941 /nfs/dbraw/zinc/00/69/41/719006941.db2.gz MHUKJPFNYZDXFD-XIKOKIGWSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164617850 719010672 /nfs/dbraw/zinc/01/06/72/719010672.db2.gz QFFAXGBNFIMGDW-DNVCBOLYSA-N 1 0 428.911 3.133 20 0 IGADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCC(C2C[NH2+]C2)CC1 ZINC001164616531 719035898 /nfs/dbraw/zinc/03/58/98/719035898.db2.gz FGTFNYSFERUAPM-UHFFFAOYSA-N 1 0 436.890 3.468 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623882 719043259 /nfs/dbraw/zinc/04/32/59/719043259.db2.gz NEBVHRUPULSKBI-JXFKEZNVSA-N 1 0 436.890 3.435 20 0 IGADRO c1nc2c(nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2N2CCOCC2)s1 ZINC001164627950 719069299 /nfs/dbraw/zinc/06/92/99/719069299.db2.gz RMUIDPVIJCJYEF-OALUTQOASA-N 1 0 436.585 3.024 20 0 IGADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC001164621872 719095955 /nfs/dbraw/zinc/09/59/55/719095955.db2.gz BIWYZKFHAUSSSX-VXKWHMMOSA-N 1 0 433.604 3.173 20 0 IGADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164665979 719356619 /nfs/dbraw/zinc/35/66/19/719356619.db2.gz ZNMAUZVDGIRMEO-UHFFFAOYSA-N 1 0 443.599 3.167 20 0 IGADRO CCOC(=O)c1ccc2nc(Cl)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164680545 719635565 /nfs/dbraw/zinc/63/55/65/719635565.db2.gz VINXLFMKYIZWRH-UHFFFAOYSA-N 1 0 442.951 3.132 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)CC2 ZINC001164690159 719753172 /nfs/dbraw/zinc/75/31/72/719753172.db2.gz UQQBFPTXDNXKHQ-UHFFFAOYSA-N 1 0 429.952 3.412 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164690306 719753707 /nfs/dbraw/zinc/75/37/07/719753707.db2.gz ZAXUKKBFEXYPGI-UHFFFAOYSA-N 1 0 433.915 3.242 20 0 IGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(CN4C(=O)CCC4=O)cn2)CC3)cs1 ZINC001164692191 719811327 /nfs/dbraw/zinc/81/13/27/719811327.db2.gz NOUSDYQXYCVVGX-UHFFFAOYSA-N 1 0 439.585 3.131 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164812334 720083520 /nfs/dbraw/zinc/08/35/20/720083520.db2.gz QPKQWOZEHXLTPE-WNCULLNHSA-N 1 0 447.627 3.220 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1Cl)CC2 ZINC001164711176 720094329 /nfs/dbraw/zinc/09/43/29/720094329.db2.gz OYUZZVXCHIWXAE-LJQANCHMSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)ncc1OC)CC2 ZINC001164711007 720097402 /nfs/dbraw/zinc/09/74/02/720097402.db2.gz MTZUUZUBQOCTTM-GOSISDBHSA-N 1 0 429.590 3.110 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)ncc1OC)CC2 ZINC001164711009 720098003 /nfs/dbraw/zinc/09/80/03/720098003.db2.gz MTZUUZUBQOCTTM-SFHVURJKSA-N 1 0 429.590 3.110 20 0 IGADRO CCOC(=O)Cc1cccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712521 720100837 /nfs/dbraw/zinc/10/08/37/720100837.db2.gz WQMDWNVFKLTYIE-JOCHJYFZSA-N 1 0 438.572 3.090 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c1C(=O)OC3(C)C)CC2 ZINC001164716894 720114304 /nfs/dbraw/zinc/11/43/04/720114304.db2.gz LHEQVTPKGZTRLR-LJQANCHMSA-N 1 0 436.556 3.390 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)C2 ZINC001164813864 720119968 /nfs/dbraw/zinc/11/99/68/720119968.db2.gz RJANTIGZXCVRJH-HJPURHCSSA-N 1 0 446.979 3.485 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)C2 ZINC001164807298 720128282 /nfs/dbraw/zinc/12/82/82/720128282.db2.gz BUKVIKPJHBRAQX-FDDCHVKYSA-N 1 0 435.012 3.448 20 0 IGADRO CCCNC(=O)c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164711750 720143113 /nfs/dbraw/zinc/14/31/13/720143113.db2.gz JMDPUCHOPAMXPM-JOCHJYFZSA-N 1 0 437.588 3.124 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)N1CCc3ccccc31)C2 ZINC001164815554 720164231 /nfs/dbraw/zinc/16/42/31/720164231.db2.gz IDPCDQJFUNNDCT-AMGIVPHBSA-N 1 0 446.595 3.469 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3[nH]cc(Cl)c31)CCC2 ZINC001164812897 720209691 /nfs/dbraw/zinc/20/96/91/720209691.db2.gz NBGWYBBJEDHJDM-UHFFFAOYSA-N 1 0 436.347 3.072 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)CCC2 ZINC001164810332 720212668 /nfs/dbraw/zinc/21/26/68/720212668.db2.gz CHDJJECXHHBPBP-UHFFFAOYSA-N 1 0 447.317 3.136 20 0 IGADRO Cc1cccc2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164812890 720230274 /nfs/dbraw/zinc/23/02/74/720230274.db2.gz JWRRMYQKLWLIPK-UHFFFAOYSA-N 1 0 426.952 3.399 20 0 IGADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)cs1 ZINC001164817969 720257302 /nfs/dbraw/zinc/25/73/02/720257302.db2.gz VQLRNAKMLRTPEB-WOJBJXKFSA-N 1 0 441.601 3.091 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001164818954 720296902 /nfs/dbraw/zinc/29/69/02/720296902.db2.gz BZYBUXVDWXJMTA-UONOGXRCSA-N 1 0 448.345 3.240 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3ccc(F)cc32)CC1 ZINC001164818891 720297826 /nfs/dbraw/zinc/29/78/26/720297826.db2.gz BJVUUGNNYFAPGC-RTBURBONSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)cc2-c2ccncc2)CC1 ZINC001164820966 720300466 /nfs/dbraw/zinc/30/04/66/720300466.db2.gz IMTFMPHCLYMKJX-UXHICEINSA-N 1 0 440.979 3.104 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3cccc(F)c32)CC1 ZINC001164819620 720310205 /nfs/dbraw/zinc/31/02/05/720310205.db2.gz FGJSDQKVKUWIBR-MSOLQXFVSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3cccc(F)c32)CC1 ZINC001164819622 720310268 /nfs/dbraw/zinc/31/02/68/720310268.db2.gz FGJSDQKVKUWIBR-ROUUACIJSA-N 1 0 431.943 3.334 20 0 IGADRO COc1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164826726 720312948 /nfs/dbraw/zinc/31/29/48/720312948.db2.gz WISLXGWFFITLNR-VQTJNVASSA-N 1 0 443.979 3.203 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164832993 720317360 /nfs/dbraw/zinc/31/73/60/720317360.db2.gz VIISVASVYQAHFN-MOPGFXCFSA-N 1 0 448.995 3.132 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C(=O)Nc3ccccc3)ccn2)CC1 ZINC001164833431 720320242 /nfs/dbraw/zinc/32/02/42/720320242.db2.gz XEEMWKHBCMIOSN-DHIUTWEWSA-N 1 0 447.583 3.245 20 0 IGADRO CN(C)c1ccc(-c2ccnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164823319 720331845 /nfs/dbraw/zinc/33/18/45/720331845.db2.gz AOCLLLLTASOAFD-BJKOFHAPSA-N 1 0 448.615 3.121 20 0 IGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164721746 720332091 /nfs/dbraw/zinc/33/20/91/720332091.db2.gz DGRDENDXLMIEGJ-RTBURBONSA-N 1 0 442.523 3.307 20 0 IGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164828967 720334109 /nfs/dbraw/zinc/33/41/09/720334109.db2.gz KXVTVAMJLCXADZ-ZWKOTPCHSA-N 1 0 430.984 3.085 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001164828984 720335649 /nfs/dbraw/zinc/33/56/49/720335649.db2.gz LCBXBEFVDAVEPA-WOJBJXKFSA-N 1 0 443.592 3.340 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164824235 720339094 /nfs/dbraw/zinc/33/90/94/720339094.db2.gz HRQWNSGLAREKJF-PKTZIBPZSA-N 1 0 435.572 3.064 20 0 IGADRO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2)n1 ZINC001164828377 720347196 /nfs/dbraw/zinc/34/71/96/720347196.db2.gz ONMBFOIYYHLTAN-WOJBJXKFSA-N 1 0 438.576 3.167 20 0 IGADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821686 720353269 /nfs/dbraw/zinc/35/32/69/720353269.db2.gz BHOXEPUPUKLYQF-JKSUJKDBSA-N 1 0 426.392 3.257 20 0 IGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723080 720381968 /nfs/dbraw/zinc/38/19/68/720381968.db2.gz GADLNRDQOYGAFF-HUUCEWRRSA-N 1 0 433.965 3.277 20 0 IGADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731013 720402237 /nfs/dbraw/zinc/40/22/37/720402237.db2.gz XZVDWJWULUJWRW-RTWAWAEBSA-N 1 0 429.503 3.262 20 0 IGADRO Cc1cc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164731003 720403993 /nfs/dbraw/zinc/40/39/93/720403993.db2.gz XWNIZTIDFGFTLJ-PMACEKPBSA-N 1 0 436.585 3.085 20 0 IGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)C1 ZINC001164728497 720510189 /nfs/dbraw/zinc/51/01/89/720510189.db2.gz FYWPSRLNAFTQQW-SFHVURJKSA-N 1 0 437.979 3.040 20 0 IGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)C1 ZINC001164731949 720523201 /nfs/dbraw/zinc/52/32/01/720523201.db2.gz BLGWLOUZTXHPFD-CQSZACIVSA-N 1 0 433.894 3.131 20 0 IGADRO COc1cccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001164734317 720533692 /nfs/dbraw/zinc/53/36/92/720533692.db2.gz HTRLZUNGBMLBSR-OAHLLOKOSA-N 1 0 428.924 3.325 20 0 IGADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1OCC ZINC001164838431 720540200 /nfs/dbraw/zinc/54/02/00/720540200.db2.gz NUWXPCZFWBNCPO-IRFCIJBXSA-N 1 0 441.576 3.231 20 0 IGADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1OCC ZINC001164838433 720540749 /nfs/dbraw/zinc/54/07/49/720540749.db2.gz NUWXPCZFWBNCPO-QKNQBKEWSA-N 1 0 441.576 3.231 20 0 IGADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843182 720645177 /nfs/dbraw/zinc/64/51/77/720645177.db2.gz UORUFZSPNYGZPE-ZMSDIMECSA-N 1 0 440.926 3.258 20 0 IGADRO F[C@@H](Oc1ccnc(Cl)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844026 720741918 /nfs/dbraw/zinc/74/19/18/720741918.db2.gz NWWDUDYIKSRUPN-HXUWFJFHSA-N 1 0 428.899 3.220 20 0 IGADRO c1ccc(Cc2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc23)cc1 ZINC001164742870 720753690 /nfs/dbraw/zinc/75/36/90/720753690.db2.gz OQSAQDWPZOIRPV-SFTDATJTSA-N 1 0 438.535 3.353 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCCCC3 ZINC001164737454 720764849 /nfs/dbraw/zinc/76/48/49/720764849.db2.gz BTNAOIVIGFNBPN-DLBZAZTESA-N 1 0 436.585 3.401 20 0 IGADRO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164745456 720814695 /nfs/dbraw/zinc/81/46/95/720814695.db2.gz KKCQGVPJKVKGFV-XAUMDUMWSA-N 1 0 441.942 3.393 20 0 IGADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(Oc5ccccc5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741307 720816899 /nfs/dbraw/zinc/81/68/99/720816899.db2.gz NJZKLTPKYAVKNJ-TUNNFDKTSA-N 1 0 431.544 3.240 20 0 IGADRO Fc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164746268 720822235 /nfs/dbraw/zinc/82/22/35/720822235.db2.gz YSULPUPZRMLIMO-TXPKVOOTSA-N 1 0 441.942 3.393 20 0 IGADRO Fc1ccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164742673 720826263 /nfs/dbraw/zinc/82/62/63/720826263.db2.gz QKWRQZXFVNRMPG-KJXAQDMKSA-N 1 0 433.535 3.254 20 0 IGADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCCCC2 ZINC001164740779 720826270 /nfs/dbraw/zinc/82/62/70/720826270.db2.gz LGELSFSYUGWWOD-DBXWQHBBSA-N 1 0 442.011 3.370 20 0 IGADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743556 720832755 /nfs/dbraw/zinc/83/27/55/720832755.db2.gz JBXDWQQNDOPPPL-OWCLPIDISA-N 1 0 444.996 3.019 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)CC[C@@H]2C1 ZINC001164857079 720840505 /nfs/dbraw/zinc/84/05/05/720840505.db2.gz XFCGGHHUSMBXHF-KDOFPFPSSA-N 1 0 426.895 3.002 20 0 IGADRO CC(C)(C)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742544 720842640 /nfs/dbraw/zinc/84/26/40/720842640.db2.gz HLAOZXWGFLQYSR-OKZBNKHCSA-N 1 0 430.000 3.398 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164745157 720846431 /nfs/dbraw/zinc/84/64/31/720846431.db2.gz LWFDSCZXVQFHRZ-ZFGGDYGUSA-N 1 0 445.571 3.123 20 0 IGADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740537 720846562 /nfs/dbraw/zinc/84/65/62/720846562.db2.gz CHRWTJXHYAPTIM-ZIFCJYIRSA-N 1 0 435.601 3.151 20 0 IGADRO COc1cc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2cc1OC ZINC001164745848 720850233 /nfs/dbraw/zinc/85/02/33/720850233.db2.gz NRNAEIZNCDGWHK-YPAWHYETSA-N 1 0 448.571 3.223 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164748784 720850247 /nfs/dbraw/zinc/85/02/47/720850247.db2.gz UXHSSUIANOWOFH-SXWKCWPCSA-N 1 0 445.571 3.123 20 0 IGADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744638 720851082 /nfs/dbraw/zinc/85/10/82/720851082.db2.gz LABSMUIOUUJJRN-JXXFODFXSA-N 1 0 441.942 3.393 20 0 IGADRO Fc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164752673 720852194 /nfs/dbraw/zinc/85/21/94/720852194.db2.gz UEGMMYHALFWWDG-SFYKDHMMSA-N 1 0 433.535 3.254 20 0 IGADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncnc4cccnc42)C3)c1 ZINC001164749031 720876521 /nfs/dbraw/zinc/87/65/21/720876521.db2.gz GHRQNWYHMDCNMQ-BWKNWUBXSA-N 1 0 430.556 3.175 20 0 IGADRO COC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754815 720877227 /nfs/dbraw/zinc/87/72/27/720877227.db2.gz SPERJGGXXDJWGW-SQJMNOBHSA-N 1 0 436.556 3.018 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC[C@H]2C1 ZINC001164860768 720877913 /nfs/dbraw/zinc/87/79/13/720877913.db2.gz PCPQHEOLAYVLCX-KBXCAEBGSA-N 1 0 442.894 3.108 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164864269 720878452 /nfs/dbraw/zinc/87/84/52/720878452.db2.gz VHNXSEUZWCCCIK-PBHICJAKSA-N 1 0 426.895 3.002 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164860823 720886056 /nfs/dbraw/zinc/88/60/56/720886056.db2.gz PEOORESARNYKGB-SUMWQHHRSA-N 1 0 426.895 3.394 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]2C1 ZINC001164855847 720886215 /nfs/dbraw/zinc/88/62/15/720886215.db2.gz HZITWNDELJANFS-TZMCWYRMSA-N 1 0 443.844 3.472 20 0 IGADRO Fc1cc(Cl)nnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749983 720890526 /nfs/dbraw/zinc/89/05/26/720890526.db2.gz BGPFFUGNMVIFBQ-GCJKJVERSA-N 1 0 431.943 3.419 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)nc1 ZINC001164858607 720896784 /nfs/dbraw/zinc/89/67/84/720896784.db2.gz MLTFKRKRLSSBBM-QFIPXVFZSA-N 1 0 447.587 3.230 20 0 IGADRO Nc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754688 720905954 /nfs/dbraw/zinc/90/59/54/720905954.db2.gz XIVAYKBSJFSSNQ-XXBNENTESA-N 1 0 427.980 3.467 20 0 IGADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1 ZINC001164863543 721006239 /nfs/dbraw/zinc/00/62/39/721006239.db2.gz WBVXGOVNPCDAGV-QZTJIDSGSA-N 1 0 448.637 3.166 20 0 IGADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2OCC[C@H](C(=O)NCc3ccccn3)[C@H]2C1 ZINC001164760084 721023372 /nfs/dbraw/zinc/02/33/72/721023372.db2.gz NUGJHBREKKCZRS-ZCNNSNEGSA-N 1 0 428.964 3.409 20 0 IGADRO c1ccc(CO[C@H]2CO[C@@]3(C2)CCCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)nc1 ZINC001164763822 721030246 /nfs/dbraw/zinc/03/02/46/721030246.db2.gz LQPFMCIVJZHYEM-RCZVLFRGSA-N 1 0 438.572 3.296 20 0 IGADRO CCOC(=O)c1cc2c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164866353 721107211 /nfs/dbraw/zinc/10/72/11/721107211.db2.gz SOGMCKSRYSZVFC-WOJBJXKFSA-N 1 0 449.555 3.231 20 0 IGADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164881191 721149967 /nfs/dbraw/zinc/14/99/67/721149967.db2.gz ZRENJIWJKVWUGD-CVEARBPZSA-N 1 0 435.906 3.038 20 0 IGADRO O=C(OCc1ccccc1)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164871101 721155918 /nfs/dbraw/zinc/15/59/18/721155918.db2.gz DRFMRZANGYRYOT-BJKOFHAPSA-N 1 0 444.535 3.313 20 0 IGADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164879103 721161901 /nfs/dbraw/zinc/16/19/01/721161901.db2.gz RTSRKVBWWNGCIH-CTNGQTDRSA-N 1 0 447.539 3.036 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C(=O)N5CCCCC5)cc4Cl)C[C@H]3C2)cn1 ZINC001164761970 721206965 /nfs/dbraw/zinc/20/69/65/721206965.db2.gz BGYNKDUXRFZCDW-AZUAARDMSA-N 1 0 442.995 3.053 20 0 IGADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164767926 721293810 /nfs/dbraw/zinc/29/38/10/721293810.db2.gz CCDWUDYQVAHZBB-CSKARUKUSA-N 1 0 426.561 3.175 20 0 IGADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1C ZINC001164769708 721298017 /nfs/dbraw/zinc/29/80/17/721298017.db2.gz MHZPOKZHCLXLBH-UHFFFAOYSA-N 1 0 427.618 3.062 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164877325 721309625 /nfs/dbraw/zinc/30/96/25/721309625.db2.gz IKGZPEXRIUDCNV-QNWVGRARSA-N 1 0 440.613 3.385 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(F)ccc43)C2)C1 ZINC001164778403 721336674 /nfs/dbraw/zinc/33/66/74/721336674.db2.gz VKFYWLWIRRQTRV-QHCPKHFHSA-N 1 0 425.508 3.493 20 0 IGADRO COc1ccc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164778211 721340357 /nfs/dbraw/zinc/34/03/57/721340357.db2.gz LDSWGWLFCRQHQU-XMMPIXPASA-N 1 0 437.544 3.362 20 0 IGADRO Cc1noc(-c2cccnc2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164781384 721366678 /nfs/dbraw/zinc/36/66/78/721366678.db2.gz IURCXGATXIBEMF-QHCPKHFHSA-N 1 0 438.532 3.164 20 0 IGADRO COc1cccc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c21 ZINC001164786063 721367477 /nfs/dbraw/zinc/36/74/77/721367477.db2.gz VNXAGEPRHAKCEV-DEOSSOPVSA-N 1 0 437.544 3.362 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164891856 721388724 /nfs/dbraw/zinc/38/87/24/721388724.db2.gz QXUMQXJEQZZDFM-VGOFRKELSA-N 1 0 433.959 3.188 20 0 IGADRO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c(Cl)nc2c1 ZINC001164888941 721406722 /nfs/dbraw/zinc/40/67/22/721406722.db2.gz PPXXNKVIJOYHOZ-WZONZLPQSA-N 1 0 429.996 3.357 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164885141 721409411 /nfs/dbraw/zinc/40/94/11/721409411.db2.gz FWUPUDRSKKNCDY-DNVCBOLYSA-N 1 0 432.918 3.184 20 0 IGADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885212 721412706 /nfs/dbraw/zinc/41/27/06/721412706.db2.gz GGJDVIQXUDTYFW-MBSDFSHPSA-N 1 0 429.996 3.357 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886581 721413013 /nfs/dbraw/zinc/41/30/13/721413013.db2.gz KGOOIEZBTMZDFN-HXOBKFHXSA-N 1 0 445.995 3.057 20 0 IGADRO CCOC(=O)c1cc2c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164781723 721416230 /nfs/dbraw/zinc/41/62/30/721416230.db2.gz DERPGEHYPSLUET-HZPDHXFCSA-N 1 0 425.558 3.381 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164889600 721424425 /nfs/dbraw/zinc/42/44/25/721424425.db2.gz CFZOIDYCJVTVCU-URXFXBBRSA-N 1 0 441.551 3.173 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C(F)F)nc5ccccc54)C3)O2)CC1 ZINC001164893012 721439703 /nfs/dbraw/zinc/43/97/03/721439703.db2.gz IQSBURAHFNOYAS-GAJHUEQPSA-N 1 0 431.531 3.333 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164894339 721445564 /nfs/dbraw/zinc/44/55/64/721445564.db2.gz LSUKNKVQLYYNDO-UZUQRXQVSA-N 1 0 449.521 3.472 20 0 IGADRO CCOC(=O)c1ccc(C)c(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164786705 721448211 /nfs/dbraw/zinc/44/82/11/721448211.db2.gz NIJWYPWATOMUDF-NRFANRHFSA-N 1 0 445.604 3.301 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164785201 721448433 /nfs/dbraw/zinc/44/84/33/721448433.db2.gz HECVCDLJDBJFOT-JOCHJYFZSA-N 1 0 443.636 3.201 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(F)ccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164891645 721451503 /nfs/dbraw/zinc/45/15/03/721451503.db2.gz VDEUEHNTJAXGBK-KSFYIVLOSA-N 1 0 433.959 3.188 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164790452 721455845 /nfs/dbraw/zinc/45/58/45/721455845.db2.gz ZCBVXYYDNCSRLA-GOSISDBHSA-N 1 0 445.995 3.412 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164783848 721459648 /nfs/dbraw/zinc/45/96/48/721459648.db2.gz GDYUEWHLQYWYOS-GOSISDBHSA-N 1 0 445.995 3.412 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cc(OC)ccc3n1)CC2 ZINC001164790027 721460996 /nfs/dbraw/zinc/46/09/96/721460996.db2.gz ZBFHURPCYYNYLU-NRFANRHFSA-N 1 0 440.588 3.372 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)nc1 ZINC001164791897 721482971 /nfs/dbraw/zinc/48/29/71/721482971.db2.gz KLKUDNURTRSWKJ-MBDNFAEBSA-N 1 0 428.577 3.024 20 0 IGADRO CCOC(=O)c1nc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900065 721514194 /nfs/dbraw/zinc/51/41/94/721514194.db2.gz NRPHPFZUFYMFTO-MJGOQNOKSA-N 1 0 436.487 3.288 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc4ccccc4nc2Cl)CC3)CC1 ZINC001164799226 721516979 /nfs/dbraw/zinc/51/69/79/721516979.db2.gz ZKGWLFDMHAKIMI-UHFFFAOYSA-N 1 0 446.933 3.397 20 0 IGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901453 721518640 /nfs/dbraw/zinc/51/86/40/721518640.db2.gz XPALCKOYFMMGOB-GOEBONIOSA-N 1 0 441.885 3.222 20 0 IGADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794459 721520082 /nfs/dbraw/zinc/52/00/82/721520082.db2.gz DMDCVYOTSPRPRW-UHFFFAOYSA-N 1 0 437.979 3.070 20 0 IGADRO COC(=O)c1c(Cl)cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164909356 721549366 /nfs/dbraw/zinc/54/93/66/721549366.db2.gz RQWZRFPKQKMYAX-ZBFHGGJFSA-N 1 0 435.883 3.011 20 0 IGADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806692 721570890 /nfs/dbraw/zinc/57/08/90/721570890.db2.gz QUGQYZXJYKDGJY-MZBHBBFKSA-N 1 0 447.539 3.012 20 0 IGADRO COC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905610 721584664 /nfs/dbraw/zinc/58/46/64/721584664.db2.gz KCGJCTSRNLEKHP-IBGZPJMESA-N 1 0 437.878 3.049 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164811989 721585230 /nfs/dbraw/zinc/58/52/30/721585230.db2.gz ZGNLKRQFFIHOPY-VJBWXMMDSA-N 1 0 430.556 3.419 20 0 IGADRO C[C@@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010745 721691706 /nfs/dbraw/zinc/69/17/06/721691706.db2.gz WUMZIWRITIXZCK-YBGOQADZSA-N 1 0 435.572 3.474 20 0 IGADRO COC(=O)c1cc2c[nH]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907423 721718356 /nfs/dbraw/zinc/71/83/56/721718356.db2.gz RXKTYDBPJQOMSU-JOCHJYFZSA-N 1 0 441.482 3.482 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2OCc2ccc(F)cc2)CC1 ZINC001165009464 721747073 /nfs/dbraw/zinc/74/70/73/721747073.db2.gz DYAQRYFSNVTGCP-UHFFFAOYSA-N 1 0 426.536 3.323 20 0 IGADRO 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COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc(Cl)c2c1 ZINC001164934563 721881952 /nfs/dbraw/zinc/88/19/52/721881952.db2.gz RZRNLHJOSBMCSI-IRXDYDNUSA-N 1 0 425.911 3.051 20 0 IGADRO C(c1nc2sc3c(c2c(N2CC[NH+](C[C@H]4CCCO4)CC2)n1)CCC3)N1CCCCC1 ZINC001165039599 721918463 /nfs/dbraw/zinc/91/84/63/721918463.db2.gz UEBVNSXPUNQHND-GOSISDBHSA-N 1 0 441.645 3.467 20 0 IGADRO CN(CC1CC[NH+](C)CC1)c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001165042727 721935841 /nfs/dbraw/zinc/93/58/41/721935841.db2.gz KQMBKOSZDXRHPE-UHFFFAOYSA-N 1 0 433.965 3.100 20 0 IGADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]12 ZINC001164944640 721967075 /nfs/dbraw/zinc/96/70/75/721967075.db2.gz IUZYKNHTVIVVFN-BVAGGSTKSA-N 1 0 434.584 3.325 20 0 IGADRO Cc1nc(Cn2c(=O)ccc3c2CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cs1 ZINC001164950647 722007472 /nfs/dbraw/zinc/00/74/72/722007472.db2.gz DUFYXXDTDUENQE-UHFFFAOYSA-N 1 0 435.597 3.258 20 0 IGADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961946 722052461 /nfs/dbraw/zinc/05/24/61/722052461.db2.gz ZPDHEMCBJSZGFM-UHFFFAOYSA-N 1 0 437.922 3.497 20 0 IGADRO COc1cc(C)c2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164964395 722062797 /nfs/dbraw/zinc/06/27/97/722062797.db2.gz GECQNWTVUGIICV-UHFFFAOYSA-N 1 0 433.556 3.461 20 0 IGADRO O=C1[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969988 722082667 /nfs/dbraw/zinc/08/26/67/722082667.db2.gz STEWAUXLUJKJBS-DHIUTWEWSA-N 1 0 438.547 3.070 20 0 IGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001164981556 722097887 /nfs/dbraw/zinc/09/78/87/722097887.db2.gz LROJYCKSEOUYCN-ZFGGDYGUSA-N 1 0 435.572 3.102 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982846 722099299 /nfs/dbraw/zinc/09/92/99/722099299.db2.gz PJVARSORUXQIKZ-MJGOQNOKSA-N 1 0 430.936 3.034 20 0 IGADRO Clc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164986302 722100279 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VFOOHLLJDJEBKM-NRFANRHFSA-N 1 0 431.537 3.154 20 0 IGADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)ncc2N2CCOCC2)C3)c1 ZINC001164994454 722200290 /nfs/dbraw/zinc/20/02/90/722200290.db2.gz HFTZPDHTSUISQC-QFIPXVFZSA-N 1 0 431.943 3.351 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(Cc3ccccc3)n1)CCC2 ZINC001165002867 722255248 /nfs/dbraw/zinc/25/52/48/722255248.db2.gz VHTHVQXIOTUGGC-UHFFFAOYSA-N 1 0 440.979 3.406 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(Oc3ccc(F)cc3)n1)CCC2 ZINC001165004162 722257076 /nfs/dbraw/zinc/25/70/76/722257076.db2.gz OTHRGPQXNMQEIV-UHFFFAOYSA-N 1 0 426.496 3.093 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CCC2 ZINC001165003430 722257637 /nfs/dbraw/zinc/25/76/37/722257637.db2.gz CQQMBUIYGCRXNR-UHFFFAOYSA-N 1 0 449.983 3.375 20 0 IGADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001164388400 718824059 /nfs/dbraw/zinc/82/40/59/718824059.db2.gz BUTPGQLGMQCHHE-SJORKVTESA-N 1 0 437.874 3.301 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164391156 718824575 /nfs/dbraw/zinc/82/45/75/718824575.db2.gz SWSYXEQBIKXTKG-QRQLOZEOSA-N 1 0 441.645 3.369 20 0 IGADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164399791 718844444 /nfs/dbraw/zinc/84/44/44/718844444.db2.gz GMGQFVBVYJZPME-CQSZACIVSA-N 1 0 447.839 3.455 20 0 IGADRO OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401612 718852949 /nfs/dbraw/zinc/85/29/49/718852949.db2.gz CKFXROWHVBLZHJ-CLOONOSVSA-N 1 0 449.624 3.362 20 0 IGADRO CCOC(=O)c1cc2n(n1)CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164408850 718866509 /nfs/dbraw/zinc/86/65/09/718866509.db2.gz NQMSYECBQLPNAS-UHFFFAOYSA-N 1 0 431.540 3.423 20 0 IGADRO FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424731 718915226 /nfs/dbraw/zinc/91/52/26/718915226.db2.gz OZDKDTBVCHSJAH-HXUWFJFHSA-N 1 0 439.890 3.412 20 0 IGADRO CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164435060 718982403 /nfs/dbraw/zinc/98/24/03/718982403.db2.gz YIPZFAZORDOYBM-XLIONFOSSA-N 1 0 441.906 3.205 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164615918 719008257 /nfs/dbraw/zinc/00/82/57/719008257.db2.gz JRKQYXUNOSXACO-AUUYWEPGSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164619302 719009001 /nfs/dbraw/zinc/00/90/01/719009001.db2.gz VOCSVKPGKGFBAO-HNAYVOBHSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164614333 719015533 /nfs/dbraw/zinc/01/55/33/719015533.db2.gz FAKZUPMTVUJDMT-IIMNLJJBSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164617558 719018099 /nfs/dbraw/zinc/01/80/99/719018099.db2.gz ONPAOXTYZLPUEA-SWHYSGLUSA-N 1 0 428.892 3.133 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(N)=S)c4ccsc43)CC2)CC1 ZINC001164617627 719035434 /nfs/dbraw/zinc/03/54/34/719035434.db2.gz OEPIXEADSUZJSR-UHFFFAOYSA-N 1 0 432.615 3.174 20 0 IGADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164621189 719134579 /nfs/dbraw/zinc/13/45/79/719134579.db2.gz LOKVVRKWXHIBJX-LLVKDONJSA-N 1 0 425.650 3.086 20 0 IGADRO O=C1CCCN1[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12 ZINC001164656901 719303043 /nfs/dbraw/zinc/30/30/43/719303043.db2.gz ZFCISXRNSWURBE-CAKYRVLISA-N 1 0 446.595 3.246 20 0 IGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](CC(C)C)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164657556 719336162 /nfs/dbraw/zinc/33/61/62/719336162.db2.gz RKUKGDWFBLPGDS-IAGOWNOFSA-N 1 0 436.551 3.004 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(COCC(=O)N(C)C)c3C2)nc1 ZINC001164662180 719341468 /nfs/dbraw/zinc/34/14/68/719341468.db2.gz OITINIFJVVQTET-NRFANRHFSA-N 1 0 441.576 3.174 20 0 IGADRO Cc1nc2c(cc(-c3nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164670242 719393940 /nfs/dbraw/zinc/39/39/40/719393940.db2.gz WIDSUCVLAKHECG-RTBURBONSA-N 1 0 428.487 3.180 20 0 IGADRO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164679227 719537257 /nfs/dbraw/zinc/53/72/57/719537257.db2.gz VZRPZQMEOQLXMD-PZUNEJSGSA-N 1 0 446.595 3.246 20 0 IGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)ncc2OCc2ccccc2)c2c1CC[NH2+]C2 ZINC001164684846 719623579 /nfs/dbraw/zinc/62/35/79/719623579.db2.gz YACFGGOYPIEIMC-UHFFFAOYSA-N 1 0 426.952 3.381 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cc[nH]c43)CC2)c2ccccc21 ZINC001164679995 719657097 /nfs/dbraw/zinc/65/70/97/719657097.db2.gz BVCKJSNNYDZDAF-SFHVURJKSA-N 1 0 432.572 3.051 20 0 IGADRO COCc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681411 719663691 /nfs/dbraw/zinc/66/36/91/719663691.db2.gz NYRCCOGOEXEDAJ-OAQYLSRUSA-N 1 0 436.600 3.321 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4cccnc4n3)CC2)c2ccccc21 ZINC001164681051 719665985 /nfs/dbraw/zinc/66/59/85/719665985.db2.gz JBWAGIYIJLPROR-LJQANCHMSA-N 1 0 444.583 3.118 20 0 IGADRO Cc1nc(C)c(C)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681520 719680399 /nfs/dbraw/zinc/68/03/99/719680399.db2.gz MJTDSCCGWREBNJ-NRFANRHFSA-N 1 0 435.616 3.495 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1c(C)c(C)n3Cc1ccccc1)CC2 ZINC001164690297 719740501 /nfs/dbraw/zinc/74/05/01/719740501.db2.gz YVRCRHWSCIVWMT-UHFFFAOYSA-N 1 0 446.599 3.277 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001164808454 720079306 /nfs/dbraw/zinc/07/93/06/720079306.db2.gz HKSJWVIZDICBAU-BKMJKUGQSA-N 1 0 434.584 3.196 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)c(NC(C)C)n1)CC2 ZINC001164710176 720092980 /nfs/dbraw/zinc/09/29/80/720092980.db2.gz GRLHWKQZHCWVHO-FQEVSTJZSA-N 1 0 440.592 3.208 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1Cl)CC2 ZINC001164711175 720093196 /nfs/dbraw/zinc/09/31/96/720093196.db2.gz OYUZZVXCHIWXAE-IBGZPJMESA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)c(Cl)cn1)CC2 ZINC001164711178 720098373 /nfs/dbraw/zinc/09/83/73/720098373.db2.gz OZHHEYUTYVTYID-GOSISDBHSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C)nc(Cl)nc1OC)CC2 ZINC001164719574 720117522 /nfs/dbraw/zinc/11/75/22/720117522.db2.gz ZHEVHNCJJMLUBB-SFHVURJKSA-N 1 0 431.968 3.350 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164719094 720122298 /nfs/dbraw/zinc/12/22/98/720122298.db2.gz VXIQCUCRYXCSOG-GOSISDBHSA-N 1 0 430.984 3.099 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001164814437 720127511 /nfs/dbraw/zinc/12/75/11/720127511.db2.gz SOALMGHIBGVTDO-GAJHUEQPSA-N 1 0 435.012 3.448 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164815512 720135787 /nfs/dbraw/zinc/13/57/87/720135787.db2.gz WCQCQXVWFGJCTO-YWZLYKJASA-N 1 0 437.922 3.408 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164714396 720148684 /nfs/dbraw/zinc/14/86/84/720148684.db2.gz WVWXNVABNHKWOU-OAQYLSRUSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164713094 720153087 /nfs/dbraw/zinc/15/30/87/720153087.db2.gz QOUSCMRQVQUXDI-YLJYHZDGSA-N 1 0 435.931 3.160 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164819743 720155541 /nfs/dbraw/zinc/15/55/41/720155541.db2.gz XYKFVCPDNMXPHO-OXQOHEQNSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)C2 ZINC001164817890 720158803 /nfs/dbraw/zinc/15/88/03/720158803.db2.gz QQYPQMRSSNGWGR-SGIRGMQISA-N 1 0 427.589 3.323 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)C2 ZINC001164816382 720164650 /nfs/dbraw/zinc/16/46/50/720164650.db2.gz LDMPYAJUYVHOND-WPWBMXPQSA-N 1 0 426.605 3.138 20 0 IGADRO Cn1nnc2c1CCN(c1nc(Cl)cc3cc(F)ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713516 720164925 /nfs/dbraw/zinc/16/49/25/720164925.db2.gz LUUUXFWCWOKMGF-LJQANCHMSA-N 1 0 444.942 3.372 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164817152 720173106 /nfs/dbraw/zinc/17/31/06/720173106.db2.gz OGILFIGBAYVNKP-QRWLVFNGSA-N 1 0 426.939 3.348 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164820161 720176533 /nfs/dbraw/zinc/17/65/33/720176533.db2.gz ZSDOTNPMOGHTNK-LIRRHRJNSA-N 1 0 425.911 3.341 20 0 IGADRO Cn1nnc2c1CCN(c1cc(F)cc3ccc(Cl)nc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717124 720182741 /nfs/dbraw/zinc/18/27/41/720182741.db2.gz KXIIQQXYDOMSLT-LJQANCHMSA-N 1 0 444.942 3.372 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)C2 ZINC001164818400 720188897 /nfs/dbraw/zinc/18/88/97/720188897.db2.gz SLYXDXDXLZWPRP-PXDATVDWSA-N 1 0 435.572 3.222 20 0 IGADRO CC(C)c1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(C(C)(C)C)n1 ZINC001164714644 720200811 /nfs/dbraw/zinc/20/08/11/720200811.db2.gz HMWYHEQQGBSPRZ-IBGZPJMESA-N 1 0 441.624 3.242 20 0 IGADRO COc1cc2ccnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2cc1OC ZINC001164812119 720225048 /nfs/dbraw/zinc/22/50/48/720225048.db2.gz DROUZNAZESTGFY-UHFFFAOYSA-N 1 0 437.544 3.059 20 0 IGADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164816935 720243336 /nfs/dbraw/zinc/24/33/36/720243336.db2.gz NYPAXUZKGUVTQT-UHFFFAOYSA-N 1 0 433.000 3.444 20 0 IGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827353 720293460 /nfs/dbraw/zinc/29/34/60/720293460.db2.gz XBHUKEWVMIZEKG-MOPGFXCFSA-N 1 0 448.995 3.132 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ncc2Cl)CC1 ZINC001164822661 720304282 /nfs/dbraw/zinc/30/42/82/720304282.db2.gz OAMBQJCKYBQULX-CABCVRRESA-N 1 0 448.345 3.240 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ncc2Cl)CC1 ZINC001164822663 720304387 /nfs/dbraw/zinc/30/43/87/720304387.db2.gz OAMBQJCKYBQULX-HUUCEWRRSA-N 1 0 448.345 3.240 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2)CC1 ZINC001164828199 720307464 /nfs/dbraw/zinc/30/74/64/720307464.db2.gz YXSSGYGGMAUVNE-SJORKVTESA-N 1 0 428.911 3.071 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccnc2C2SCCCS2)CC1 ZINC001164821929 720308636 /nfs/dbraw/zinc/30/86/36/720308636.db2.gz LZIQWXLWHIOEDL-QZTJIDSGSA-N 1 0 447.674 3.257 20 0 IGADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829802 720319321 /nfs/dbraw/zinc/31/93/21/720319321.db2.gz NUYDKYDMLSZAQN-MSOLQXFVSA-N 1 0 426.939 3.500 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164831372 720323668 /nfs/dbraw/zinc/32/36/68/720323668.db2.gz RPRKQNMNVVWDAQ-HOTGVXAUSA-N 1 0 442.938 3.200 20 0 IGADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824762 720329284 /nfs/dbraw/zinc/32/92/84/720329284.db2.gz DFQJYLSOFNUYAB-NHCUHLMSSA-N 1 0 428.625 3.015 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc(-c3ccncc3)n2)CC1 ZINC001164828637 720352695 /nfs/dbraw/zinc/35/26/95/720352695.db2.gz OWQFNVSTICSGIF-PMACEKPBSA-N 1 0 440.979 3.104 20 0 IGADRO c1ccc(N2CCN(c3ccc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)nn3)CC2)cc1 ZINC001164729301 720441997 /nfs/dbraw/zinc/44/19/97/720441997.db2.gz GVDHVYHXWRZGIG-DNQXCXABSA-N 1 0 441.583 3.051 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c(OC)c1OC ZINC001164728902 720465594 /nfs/dbraw/zinc/46/55/94/720465594.db2.gz PKDWRFZMYCYYMD-RTWAWAEBSA-N 1 0 447.539 3.418 20 0 IGADRO 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O=C(c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1)N1CCCCC1 ZINC001164736782 720584010 /nfs/dbraw/zinc/58/40/10/720584010.db2.gz TZZKIDFNMXQJSE-UHFFFAOYSA-N 1 0 442.995 3.216 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3cnc(Cl)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842442 720648546 /nfs/dbraw/zinc/64/85/46/720648546.db2.gz RQBMZLWPDSKNMD-OWCLPIDISA-N 1 0 426.899 3.129 20 0 IGADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844753 720740656 /nfs/dbraw/zinc/74/06/56/720740656.db2.gz SZPNXGXJJIELSC-LJQANCHMSA-N 1 0 444.889 3.184 20 0 IGADRO FC(F)(c1cnc(Cl)nc1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844003 720741504 /nfs/dbraw/zinc/74/15/04/720741504.db2.gz NQTIBAOGQZOTMF-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO FC(F)(c1nccnc1Cl)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842415 720742572 /nfs/dbraw/zinc/74/25/72/720742572.db2.gz DOCNBSVYMTYPAO-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 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COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(nn1)CC[C@@H](C)C3)CC2 ZINC001164789561 721470872 /nfs/dbraw/zinc/47/08/72/721470872.db2.gz OEAXWEYXGFJMGJ-KNQAVFIVSA-N 1 0 428.621 3.335 20 0 IGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908268 721533753 /nfs/dbraw/zinc/53/37/53/721533753.db2.gz PPABFFFXUPWEFZ-MJGOQNOKSA-N 1 0 426.492 3.012 20 0 IGADRO CCOC(=O)c1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164907293 721545040 /nfs/dbraw/zinc/54/50/40/721545040.db2.gz MVARGZDGCPPVAJ-WBVHZDCISA-N 1 0 442.516 3.349 20 0 IGADRO CSc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n1)CCCC2 ZINC001164803008 721550563 /nfs/dbraw/zinc/55/05/63/721550563.db2.gz HDZRXNUOCJGCPV-ACRUOGEOSA-N 1 0 425.602 3.341 20 0 IGADRO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164903052 721579062 /nfs/dbraw/zinc/57/90/62/721579062.db2.gz KOENWOLUQURYEB-HSZRJFAPSA-N 1 0 439.604 3.441 20 0 IGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164807565 721585957 /nfs/dbraw/zinc/58/59/57/721585957.db2.gz OMMANKKTDPHFHW-VXNXHJTFSA-N 1 0 442.567 3.291 20 0 IGADRO COC(=O)c1c[nH]c2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164904888 721696554 /nfs/dbraw/zinc/69/65/54/721696554.db2.gz HNDYSMCQDNYLBQ-QFIPXVFZSA-N 1 0 441.482 3.482 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1Cl ZINC001165011639 721733495 /nfs/dbraw/zinc/73/34/95/721733495.db2.gz UDUNNRGDICGVOZ-UHFFFAOYSA-N 1 0 443.375 3.088 20 0 IGADRO CCOC(=O)Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026514 721809995 /nfs/dbraw/zinc/80/99/95/721809995.db2.gz QXKJDEBNWDUNOH-WDSOQIARSA-N 1 0 443.979 3.368 20 0 IGADRO CCOC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022685 721813143 /nfs/dbraw/zinc/81/31/43/721813143.db2.gz GPYIUAHYDZFNNW-PWIZWCRZSA-N 1 0 443.979 3.368 20 0 IGADRO CN1CCc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2C1 ZINC001165021331 721830169 /nfs/dbraw/zinc/83/01/69/721830169.db2.gz DYQUQKHAYPVNRV-YRISNDGFSA-N 1 0 426.996 3.250 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2[C@@H](C)CC(=O)N3)CC1 ZINC001165022637 721841224 /nfs/dbraw/zinc/84/12/24/721841224.db2.gz QVJSDJDSPRIYTF-HNNXBMFYSA-N 1 0 425.533 3.040 20 0 IGADRO CCCNC(=O)c1cccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022038 721843342 /nfs/dbraw/zinc/84/33/42/721843342.db2.gz NSKUWJGYGZTMCD-UHFFFAOYSA-N 1 0 426.561 3.339 20 0 IGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC001164931515 721885008 /nfs/dbraw/zinc/88/50/08/721885008.db2.gz GGTKRRFLYOSJFW-RTBURBONSA-N 1 0 449.628 3.242 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939481 721920495 /nfs/dbraw/zinc/92/04/95/721920495.db2.gz UFVJSAILVOYWGH-UHFFFAOYSA-N 1 0 444.963 3.487 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)CC3)C2)cc1 ZINC001164939836 721926624 /nfs/dbraw/zinc/92/66/24/721926624.db2.gz NUWCCSIPYJVJOY-UHFFFAOYSA-N 1 0 426.948 3.409 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCSCC5)ncn4)CC3)C2)cc1 ZINC001164940724 721932785 /nfs/dbraw/zinc/93/27/85/721932785.db2.gz YWDIWHIDFXQXDP-UHFFFAOYSA-N 1 0 439.629 3.210 20 0 IGADRO CC[C@@H]1C(=O)N(C)c2cnc(N(C)CC3CC[NH+](C)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165043186 721935907 /nfs/dbraw/zinc/93/59/07/721935907.db2.gz PVTDADLLNPHNMN-DLBZAZTESA-N 1 0 436.551 3.004 20 0 IGADRO CN(CC1CC[NH+](C)CC1)c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000301204643 721936667 /nfs/dbraw/zinc/93/66/67/721936667.db2.gz RBBHXEKGZVNAHD-UHFFFAOYSA-N 1 0 429.634 3.180 20 0 IGADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048987 721967115 /nfs/dbraw/zinc/96/71/15/721967115.db2.gz QKSQCWKZTFGTNW-MRXNPFEDSA-N 1 0 429.943 3.356 20 0 IGADRO C[NH+]1CCN(c2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)nn2)CC1 ZINC001165049912 721979258 /nfs/dbraw/zinc/97/92/58/721979258.db2.gz ODCTZWYDLDSWOT-UHFFFAOYSA-N 1 0 437.466 3.175 20 0 IGADRO Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)c2nc(Cl)nc3c2CN(C)CC3)cc1 ZINC001164971633 722078693 /nfs/dbraw/zinc/07/86/93/722078693.db2.gz WQNDKXPRXLTQCF-UHFFFAOYSA-N 1 0 435.963 3.374 20 0 IGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985188 722101694 /nfs/dbraw/zinc/10/16/94/722101694.db2.gz VGSNFBJVUNWGMV-AZUAARDMSA-N 1 0 444.963 3.342 20 0 IGADRO COCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164976350 722102518 /nfs/dbraw/zinc/10/25/18/722102518.db2.gz CQJQERGSVJWJPC-UPVQGACJSA-N 1 0 445.567 3.412 20 0 IGADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983213 722108862 /nfs/dbraw/zinc/10/88/62/722108862.db2.gz YNDYVIPFEPJWCZ-AEFFLSMTSA-N 1 0 429.952 3.018 20 0 IGADRO CCOC(=O)c1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164974177 722134804 /nfs/dbraw/zinc/13/48/04/722134804.db2.gz CLLAGKREDGPCNQ-IEBWSBKVSA-N 1 0 430.936 3.034 20 0 IGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)C1 ZINC001164972751 722140135 /nfs/dbraw/zinc/14/01/35/722140135.db2.gz AKTAITRQUUCABO-QDSKXPNFSA-N 1 0 449.599 3.076 20 0 IGADRO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)CC1 ZINC001164982790 722140802 /nfs/dbraw/zinc/14/08/02/722140802.db2.gz SPPHWSJJNZNIOF-VWNXMTODSA-N 1 0 449.599 3.076 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164985083 722141946 /nfs/dbraw/zinc/14/19/46/722141946.db2.gz ZELPULJERNHFIM-GBXCKJPGSA-N 1 0 431.540 3.275 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164975074 722148577 /nfs/dbraw/zinc/14/85/77/722148577.db2.gz DTSWLCUBFNIKTM-PKTZIBPZSA-N 1 0 430.556 3.278 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)s1 ZINC001164979719 722151173 /nfs/dbraw/zinc/15/11/73/722151173.db2.gz LVBNLTFZMDWOTH-FPOVZHCZSA-N 1 0 436.585 3.339 20 0 IGADRO Clc1cc(-c2ccncc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971612 722154129 /nfs/dbraw/zinc/15/41/29/722154129.db2.gz CFKWRGUNISGHFO-PZJWPPBQSA-N 1 0 436.947 3.314 20 0 IGADRO CC(C)NC(=O)c1ccc2c(c1)C1(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC1)C(=O)N2 ZINC001164991516 722187931 /nfs/dbraw/zinc/18/79/31/722187931.db2.gz RSPMLABWFZUIEK-UHFFFAOYSA-N 1 0 447.583 3.304 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CNC(=O)C(C)C)nnc3C2)nc1 ZINC001164989441 722190334 /nfs/dbraw/zinc/19/03/34/722190334.db2.gz NLUAMTWRKSXXIG-HXUWFJFHSA-N 1 0 439.608 3.293 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cncc(Oc3cccc(F)c3)n1)CCC2 ZINC001165002215 722255122 /nfs/dbraw/zinc/25/51/22/722255122.db2.gz LOIBXVQUAIKJOZ-UHFFFAOYSA-N 1 0 426.496 3.093 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C(F)F)nc3ccc(F)cc31)CCC2 ZINC001165004158 722257627 /nfs/dbraw/zinc/25/76/27/722257627.db2.gz OJWKEWDHBFZEGW-UHFFFAOYSA-N 1 0 434.466 3.392 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC(F)(C[NH3+])CC3)c2c1C ZINC001164387312 718813402 /nfs/dbraw/zinc/81/34/02/718813402.db2.gz FMRRESUBUDONEF-UHFFFAOYSA-N 1 0 449.596 3.430 20 0 IGADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425626 718914626 /nfs/dbraw/zinc/91/46/26/718914626.db2.gz UCHKLVYIDXSQAW-QGZVFWFLSA-N 1 0 433.286 3.067 20 0 IGADRO Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164423012 718919156 /nfs/dbraw/zinc/91/91/56/718919156.db2.gz CYEZOYLDWTZGPP-FQEVSTJZSA-N 1 0 438.906 3.236 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164615249 719008246 /nfs/dbraw/zinc/00/82/46/719008246.db2.gz HVWKHZWOMOOBFC-ACJLOTCBSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164619300 719008679 /nfs/dbraw/zinc/00/86/79/719008679.db2.gz VOCSVKPGKGFBAO-DNVCBOLYSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164616593 719009769 /nfs/dbraw/zinc/00/97/69/719009769.db2.gz LEAXBKXHJQAMTO-XIKOKIGWSA-N 1 0 446.951 3.113 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164617853 719010740 /nfs/dbraw/zinc/01/07/40/719010740.db2.gz QFFAXGBNFIMGDW-KXBFYZLASA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164616069 719013847 /nfs/dbraw/zinc/01/38/47/719013847.db2.gz KIPKOAXWKOBTHX-QCZZGDTMSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164616822 719014471 /nfs/dbraw/zinc/01/44/71/719014471.db2.gz LSFKZOSEOXOWJK-IIMNLJJBSA-N 1 0 447.269 3.091 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164613945 719015422 /nfs/dbraw/zinc/01/54/22/719015422.db2.gz AOPVDEAGOAKMQK-IIMNLJJBSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164618847 719019720 /nfs/dbraw/zinc/01/97/20/719019720.db2.gz UBWKXJFNSCPDMZ-JLSDUUJJSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(NC(=O)OC(C)(C)C)ncn3)CC2)CC1 ZINC001164613799 719023467 /nfs/dbraw/zinc/02/34/67/719023467.db2.gz FDKOEOYPHGPTQJ-UHFFFAOYSA-N 1 0 433.553 3.068 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc4ccc(C(=O)OC)cc43)CC2)CC1 ZINC001164614917 719025207 /nfs/dbraw/zinc/02/52/07/719025207.db2.gz ZVYDYOUWEFCZTN-UHFFFAOYSA-N 1 0 425.529 3.265 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC2)CC1 ZINC001164617064 719032532 /nfs/dbraw/zinc/03/25/32/719032532.db2.gz GAEXOPKNKOTGGW-UHFFFAOYSA-N 1 0 441.910 3.400 20 0 IGADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164631431 719095218 /nfs/dbraw/zinc/09/52/18/719095218.db2.gz YBPGWEWYMUXGOE-WBVHZDCISA-N 1 0 425.920 3.499 20 0 IGADRO CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2)C1=O ZINC001164630413 719099028 /nfs/dbraw/zinc/09/90/28/719099028.db2.gz WEWLGCQUXFVYED-LEWJYISDSA-N 1 0 433.556 3.013 20 0 IGADRO O=C(c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCOCC1 ZINC001164629594 719099637 /nfs/dbraw/zinc/09/96/37/719099637.db2.gz STZUSANDUXOYBE-UGKGYDQZSA-N 1 0 440.975 3.308 20 0 IGADRO CN(C)c1nccc(N2CCOC[C@]3(CCC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2)n1 ZINC001164664626 719357728 /nfs/dbraw/zinc/35/77/28/719357728.db2.gz PTDNFBVYKDPOJE-HSZRJFAPSA-N 1 0 445.011 3.445 20 0 IGADRO CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164662373 719362390 /nfs/dbraw/zinc/36/23/90/719362390.db2.gz AYHHEXJOSFWVSL-AWEZNQCLSA-N 1 0 438.910 3.018 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164679935 719650968 /nfs/dbraw/zinc/65/09/68/719650968.db2.gz ANOCPZPHHWHBLH-UHFFFAOYSA-N 1 0 442.898 3.215 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4cc[nH]c4n3)CC2)c2ccccc21 ZINC001164680208 719656744 /nfs/dbraw/zinc/65/67/44/719656744.db2.gz DGPILCGQFLNSHF-GOSISDBHSA-N 1 0 432.572 3.051 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4ncccc43)CC2)c2ccccc21 ZINC001164681714 719660429 /nfs/dbraw/zinc/66/04/29/719660429.db2.gz QKHCNGSDEYBVCY-IBGZPJMESA-N 1 0 444.583 3.118 20 0 IGADRO COc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c1 ZINC001164681125 719668197 /nfs/dbraw/zinc/66/81/97/719668197.db2.gz JXOKBIZEBJZVJM-FQEVSTJZSA-N 1 0 436.600 3.492 20 0 IGADRO CCc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)n1 ZINC001164686247 719673097 /nfs/dbraw/zinc/67/30/97/719673097.db2.gz WUNKGHUTVZKRIA-HXUWFJFHSA-N 1 0 435.616 3.441 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164684324 719706655 /nfs/dbraw/zinc/70/66/55/719706655.db2.gz OXVHPMZRHOUKSD-UHFFFAOYSA-N 1 0 441.885 3.148 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164685446 719714723 /nfs/dbraw/zinc/71/47/23/719714723.db2.gz LBULSVDCZUZPFX-UHFFFAOYSA-N 1 0 441.885 3.148 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Oc3ccc(SC)cc3)ncn1)CC2 ZINC001164685422 719733707 /nfs/dbraw/zinc/73/37/07/719733707.db2.gz KORICTZGLMFOST-UHFFFAOYSA-N 1 0 427.574 3.172 20 0 IGADRO CN(C)C(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164707567 719898873 /nfs/dbraw/zinc/89/88/73/719898873.db2.gz UHXOZGKDNGYACV-UHFFFAOYSA-N 1 0 434.993 3.370 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164710649 720101105 /nfs/dbraw/zinc/10/11/05/720101105.db2.gz KLQICLUPSIGICZ-KRWDZBQOSA-N 1 0 426.952 3.465 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164712555 720104909 /nfs/dbraw/zinc/10/49/09/720104909.db2.gz XASPRVBWAZAUBT-IBGZPJMESA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3cc(OC)c(OC)cc31)C2 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FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCN(CCc2ccccn2)CC1 ZINC001165056275 722020963 /nfs/dbraw/zinc/02/09/63/722020963.db2.gz OLPYVWOMJSKDFB-UHFFFAOYSA-N 1 0 433.934 3.416 20 0 IGADRO C=Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1OC ZINC001164962337 722059204 /nfs/dbraw/zinc/05/92/04/722059204.db2.gz RCVQWQQGTMZBEQ-UHFFFAOYSA-N 1 0 429.952 3.296 20 0 IGADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986403 722101085 /nfs/dbraw/zinc/10/10/85/722101085.db2.gz YXVROGVEOCTUSO-HOCLYGCPSA-N 1 0 444.313 3.451 20 0 IGADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981124 722111203 /nfs/dbraw/zinc/11/12/03/722111203.db2.gz SXGURVZVSKBJSJ-FYYLOGMGSA-N 1 0 432.524 3.144 20 0 IGADRO O=C(Nc1ccccc1)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979781 722119833 /nfs/dbraw/zinc/11/98/33/722119833.db2.gz PYAGGKIQONQCRN-LADGPHEKSA-N 1 0 443.551 3.456 20 0 IGADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164973068 722120304 /nfs/dbraw/zinc/12/03/04/722120304.db2.gz GHEQXCDNIQWTSE-PXNSSMCTSA-N 1 0 430.936 3.034 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973840 722124013 /nfs/dbraw/zinc/12/40/13/722124013.db2.gz HLWQNXRALPMNJY-AZUAARDMSA-N 1 0 444.963 3.342 20 0 IGADRO COc1cccc(Oc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164977104 722131696 /nfs/dbraw/zinc/13/16/96/722131696.db2.gz ITAUVXURQIRPFN-REWPJTCUSA-N 1 0 447.539 3.400 20 0 IGADRO c1ccc2c(c1)CCc1cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc1-2 ZINC001164982285 722133951 /nfs/dbraw/zinc/13/39/51/722133951.db2.gz RNVYZQOSMSFYAI-LADGPHEKSA-N 1 0 427.552 3.365 20 0 IGADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982017 722134951 /nfs/dbraw/zinc/13/49/51/722134951.db2.gz QROAWYYNYMTUFP-GJZGRUSLSA-N 1 0 441.935 3.086 20 0 IGADRO Clc1nc2c(Cl)nccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979681 722137596 /nfs/dbraw/zinc/13/75/96/722137596.db2.gz LSYCPITZRFFEAF-NVXWUHKLSA-N 1 0 445.354 3.454 20 0 IGADRO CC1CCN(C(=O)c2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001164982788 722140506 /nfs/dbraw/zinc/14/05/06/722140506.db2.gz SPPHWSJJNZNIOF-LADGPHEKSA-N 1 0 449.599 3.076 20 0 IGADRO NC(=S)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2sccc21 ZINC001164972235 722157850 /nfs/dbraw/zinc/15/78/50/722157850.db2.gz HLJREFZNFKBFIU-QFBILLFUSA-N 1 0 439.610 3.053 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]32)cs1 ZINC001164992903 722184986 /nfs/dbraw/zinc/18/49/86/722184986.db2.gz XUZJOIJISMOTFJ-FCHUYYIVSA-N 1 0 427.618 3.312 20 0 IGADRO CCOC(=O)N1CCc2nnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164997197 722208193 /nfs/dbraw/zinc/20/81/93/722208193.db2.gz WZXXYYMQUXJCPD-XMMPIXPASA-N 1 0 439.535 3.375 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3cc(F)c(F)cc3nc1Cl)CCC2 ZINC001165000990 722252592 /nfs/dbraw/zinc/25/25/92/722252592.db2.gz XUERFFGEPGLFGL-UHFFFAOYSA-N 1 0 436.894 3.246 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(-c3c[nH]c4ccccc34)n1)CCC2 ZINC001164999963 722253249 /nfs/dbraw/zinc/25/32/49/722253249.db2.gz KBBYYJBAOWXZJT-UHFFFAOYSA-N 1 0 431.544 3.310 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(Oc3cccc(F)c3)n1)CCC2 ZINC001165001870 722255643 /nfs/dbraw/zinc/25/56/43/722255643.db2.gz HSFZURGJWYUHIE-UHFFFAOYSA-N 1 0 426.496 3.093 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c(Cl)nccc31)CCC2 ZINC001165001849 722255992 /nfs/dbraw/zinc/25/59/92/722255992.db2.gz HDNZEWFMAZDCRX-UHFFFAOYSA-N 1 0 436.347 3.017 20 0 IGADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1 ZINC000034388311 563086187 /nfs/dbraw/zinc/08/61/87/563086187.db2.gz FKOWTFSDJJKWPN-UHFFFAOYSA-N 1 0 444.338 3.044 20 0 IGADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001164388399 718824184 /nfs/dbraw/zinc/82/41/84/718824184.db2.gz BUTPGQLGMQCHHE-IRXDYDNUSA-N 1 0 437.874 3.301 20 0 IGADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3cccc(C(F)(F)F)c3)nnc1Cl)C2 ZINC001164406923 718854774 /nfs/dbraw/zinc/85/47/74/718854774.db2.gz PBPQFWQKXIBVFJ-DYVFJYSZSA-N 1 0 448.823 3.379 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164408499 718864442 /nfs/dbraw/zinc/86/44/42/718864442.db2.gz MEXSEYDGMRFAPC-ZIFCJYIRSA-N 1 0 441.645 3.227 20 0 IGADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415830 718885248 /nfs/dbraw/zinc/88/52/48/718885248.db2.gz NDIACPIKXZVLKW-UHFFFAOYSA-N 1 0 440.285 3.172 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(OC)c1)C2 ZINC001164615285 719007384 /nfs/dbraw/zinc/00/73/84/719007384.db2.gz HZLRIUKPUOAYNH-QRWLVFNGSA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(OC)c1)C2 ZINC001164615280 719007744 /nfs/dbraw/zinc/00/77/44/719007744.db2.gz HZLRIUKPUOAYNH-FOIQADDNSA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164616154 719009509 /nfs/dbraw/zinc/00/95/09/719009509.db2.gz KMTACQDBZVUPOL-FOIQADDNSA-N 1 0 442.938 3.441 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164613966 719014049 /nfs/dbraw/zinc/01/40/49/719014049.db2.gz ATVWWWBZUPMRLD-QCZZGDTMSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164615664 719015625 /nfs/dbraw/zinc/01/56/25/719015625.db2.gz JMYYXJHUXWRHMA-TVYUQYBPSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164615268 719020177 /nfs/dbraw/zinc/02/01/77/719020177.db2.gz HWEHTNZZFQYGHU-OAUYIBNBSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164613982 719020206 /nfs/dbraw/zinc/02/02/06/719020206.db2.gz AYOPJJRKOBZYEF-WBAXXEDZSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164627871 719044028 /nfs/dbraw/zinc/04/40/28/719044028.db2.gz WKMPHUVERABFOY-OXJNMPFZSA-N 1 0 436.890 3.435 20 0 IGADRO CN1CCc2nc(Cl)nc(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2C1 ZINC001164647184 719297148 /nfs/dbraw/zinc/29/71/48/719297148.db2.gz CTFXYHVTZJKCMN-HTAPYJJXSA-N 1 0 431.943 3.306 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1Cl ZINC001164684234 719611870 /nfs/dbraw/zinc/61/18/70/719611870.db2.gz NOJNYBLCSJCFDN-UHFFFAOYSA-N 1 0 426.348 3.237 20 0 IGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc(Oc3cccc(F)c3)n2)c2c1CC[NH2+]C2 ZINC001164681091 719629102 /nfs/dbraw/zinc/62/91/02/719629102.db2.gz ADTINNBSJIMSJW-UHFFFAOYSA-N 1 0 431.903 3.128 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)c2c1CC[NH2+]C2 ZINC001164680555 719636082 /nfs/dbraw/zinc/63/60/82/719636082.db2.gz VWRVLKIWCGEFBX-UHFFFAOYSA-N 1 0 447.921 3.472 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(Cl)n3)CC2)c2ccccc21 ZINC001164679929 719657492 /nfs/dbraw/zinc/65/74/92/719657492.db2.gz ALFHMHJYCWGTDJ-KRWDZBQOSA-N 1 0 427.980 3.223 20 0 IGADRO Cc1nc2[nH]ccc2c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680969 719661214 /nfs/dbraw/zinc/66/12/14/719661214.db2.gz KFKZBTAOVXDGLC-IBGZPJMESA-N 1 0 446.599 3.360 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cl)c(N)n3)CC2)c2ccccc21 ZINC001164681795 719682495 /nfs/dbraw/zinc/68/24/95/719682495.db2.gz AIKUYGIGNKVQPX-KRWDZBQOSA-N 1 0 442.007 3.411 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(OCc3ccccc3)cc1Cl)CC2 ZINC001164683621 719733633 /nfs/dbraw/zinc/73/36/33/719733633.db2.gz BDTVAHWRRBPAJZ-UHFFFAOYSA-N 1 0 428.964 3.495 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)CC2 ZINC001164689888 719737891 /nfs/dbraw/zinc/73/78/91/719737891.db2.gz NSZSLBKGADHYIN-UHFFFAOYSA-N 1 0 436.556 3.024 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)nc3sc4c(c31)CCCCC4)CC2 ZINC001164689298 719741875 /nfs/dbraw/zinc/74/18/75/719741875.db2.gz ABMYURRMTZLGGJ-UHFFFAOYSA-N 1 0 427.618 3.449 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)C2 ZINC001164810415 720078826 /nfs/dbraw/zinc/07/88/26/720078826.db2.gz LSSCXCQMXSQZIR-SBUREZEXSA-N 1 0 444.963 3.255 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(N(C)C)n1)CC2 ZINC001164712700 720094416 /nfs/dbraw/zinc/09/44/16/720094416.db2.gz YGHOWUMMGOZHDW-GOSISDBHSA-N 1 0 430.984 3.099 20 0 IGADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164718998 720119493 /nfs/dbraw/zinc/11/94/93/720119493.db2.gz UPGIWPVNVRWSDS-JOCHJYFZSA-N 1 0 438.572 3.090 20 0 IGADRO CCOc1c(Cl)ncnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716876 720122074 /nfs/dbraw/zinc/12/20/74/720122074.db2.gz LEAIKSVBTGZANF-GOSISDBHSA-N 1 0 431.968 3.431 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164712232 720136394 /nfs/dbraw/zinc/13/63/94/720136394.db2.gz LJZVWYFVEIDESN-INIZCTEOSA-N 1 0 442.614 3.278 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)N1CCC(C)CC1)C2 ZINC001164820266 720167158 /nfs/dbraw/zinc/16/71/58/720167158.db2.gz ZWBPIVUNYPJRPD-OFVILXPXSA-N 1 0 426.605 3.138 20 0 IGADRO Cc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1-c1ccccc1F ZINC001164817650 720246035 /nfs/dbraw/zinc/24/60/35/720246035.db2.gz RVLCSAKAVGLFMJ-UHFFFAOYSA-N 1 0 436.535 3.398 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)nc2Cl)CC1 ZINC001164822608 720291734 /nfs/dbraw/zinc/29/17/34/720291734.db2.gz NLUFQBCLRLDQJL-LSDHHAIUSA-N 1 0 448.345 3.240 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3ccc(F)cc32)CC1 ZINC001164818890 720298425 /nfs/dbraw/zinc/29/84/25/720298425.db2.gz BJVUUGNNYFAPGC-RBUKOAKNSA-N 1 0 431.943 3.334 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821029 720309395 /nfs/dbraw/zinc/30/93/95/720309395.db2.gz JFCCUFVKJVJHDD-QZTJIDSGSA-N 1 0 448.995 3.132 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)COc2ccnc(Cl)c2)CC1 ZINC001164823807 720316458 /nfs/dbraw/zinc/31/64/58/720316458.db2.gz PXDVLBYKBAVVSY-ZWKOTPCHSA-N 1 0 442.938 3.114 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827871 720319717 /nfs/dbraw/zinc/31/97/17/720319717.db2.gz IZGLAONUHLURAY-UXHICEINSA-N 1 0 443.979 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(F)cc3ncnc(Cl)c32)CC1 ZINC001164830213 720333026 /nfs/dbraw/zinc/33/30/26/720333026.db2.gz PESGIVJNCFJADX-MSOLQXFVSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(F)cc3ncnc(Cl)c32)CC1 ZINC001164830216 720333458 /nfs/dbraw/zinc/33/34/58/720333458.db2.gz PESGIVJNCFJADX-QZTJIDSGSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001164828978 720335418 /nfs/dbraw/zinc/33/54/18/720335418.db2.gz LCBXBEFVDAVEPA-PMACEKPBSA-N 1 0 443.592 3.340 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164822845 720337798 /nfs/dbraw/zinc/33/77/98/720337798.db2.gz FVYIPTAPKHGSJJ-PKTZIBPZSA-N 1 0 435.572 3.064 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncn2)cc1 ZINC001164828396 720342209 /nfs/dbraw/zinc/34/22/09/720342209.db2.gz OPOQOXPURNFMNZ-PKTZIBPZSA-N 1 0 435.572 3.064 20 0 IGADRO CC(C)c1noc(-c2ccnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2)n1 ZINC001164828374 720346580 /nfs/dbraw/zinc/34/65/80/720346580.db2.gz ONMBFOIYYHLTAN-PMACEKPBSA-N 1 0 438.576 3.167 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Oc2ccnc(Cl)c2)CC1 ZINC001164830782 720351516 /nfs/dbraw/zinc/35/15/16/720351516.db2.gz XANGNGRNIDSENY-IRXDYDNUSA-N 1 0 428.911 3.071 20 0 IGADRO COc1cc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829582 720351704 /nfs/dbraw/zinc/35/17/04/720351704.db2.gz SPFOBNAUFNPSBU-YADHBBJMSA-N 1 0 438.572 3.164 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Oc2ccnc(Cl)c2)CC1 ZINC001164830780 720351768 /nfs/dbraw/zinc/35/17/68/720351768.db2.gz XANGNGRNIDSENY-IAGOWNOFSA-N 1 0 428.911 3.071 20 0 IGADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731011 720400605 /nfs/dbraw/zinc/40/06/05/720400605.db2.gz XZVDWJWULUJWRW-LEWJYISDSA-N 1 0 429.503 3.262 20 0 IGADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730938 720415265 /nfs/dbraw/zinc/41/52/65/720415265.db2.gz JWFICHANGJYQHD-XZOQPEGZSA-N 1 0 430.556 3.264 20 0 IGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)C1 ZINC001164732599 720526635 /nfs/dbraw/zinc/52/66/35/720526635.db2.gz FVNPIBMNWHZWOR-AWEZNQCLSA-N 1 0 433.894 3.131 20 0 IGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)C1 ZINC001164733861 720528511 /nfs/dbraw/zinc/52/85/11/720528511.db2.gz MAFSDTMMNNCYPA-BTYIYWSLSA-N 1 0 430.915 3.319 20 0 IGADRO c1ccc(OC[C@@H]2CCC[C@]23CN(c2cccc(OCC[NH+]4CCCC4)n2)CCO3)nc1 ZINC001164734614 720540442 /nfs/dbraw/zinc/54/04/42/720540442.db2.gz JMGVQBJQSITIGE-OFVILXPXSA-N 1 0 438.572 3.406 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(=O)N(C)C)cc3Cl)CC[C@@H]21 ZINC001164839248 720611002 /nfs/dbraw/zinc/61/10/02/720611002.db2.gz MWFMJUANGCTMEV-HBFSDRIKSA-N 1 0 430.984 3.011 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(=O)N(C)C)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839249 720612045 /nfs/dbraw/zinc/61/20/45/720612045.db2.gz MWFMJUANGCTMEV-WSTZPKSXSA-N 1 0 430.984 3.011 20 0 IGADRO COC(=O)c1cnc(Cl)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838869 720661247 /nfs/dbraw/zinc/66/12/47/720661247.db2.gz IDNIXRYIIGVUMT-KRWDZBQOSA-N 1 0 430.936 3.177 20 0 IGADRO FC(F)(c1cnnc(Cl)c1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843878 720742413 /nfs/dbraw/zinc/74/24/13/720742413.db2.gz MDQPMGWASPYVGS-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO F[C@@H](Oc1ccc(Cl)nc1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843966 720742460 /nfs/dbraw/zinc/74/24/60/720742460.db2.gz NCWCCFCOWRPYJF-HXUWFJFHSA-N 1 0 428.899 3.220 20 0 IGADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743404 720759383 /nfs/dbraw/zinc/75/93/83/720759383.db2.gz PVAYLBWCAHZENS-JKSUJKDBSA-N 1 0 442.882 3.193 20 0 IGADRO COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748226 720807512 /nfs/dbraw/zinc/80/75/12/720807512.db2.gz QCFMPXVWWZCYEM-CABCVRRESA-N 1 0 429.883 3.168 20 0 IGADRO Clc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747698 720810422 /nfs/dbraw/zinc/81/04/22/720810422.db2.gz PCPKBCLHNCVMMF-OFQRWUPVSA-N 1 0 447.374 3.236 20 0 IGADRO Fc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164742699 720815220 /nfs/dbraw/zinc/81/52/20/720815220.db2.gz DAUWGZMMKYXFON-ZMSDIMECSA-N 1 0 440.901 3.390 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(C(=O)NCCc3ccccc3)C2)nc1 ZINC001164848595 720817327 /nfs/dbraw/zinc/81/73/27/720817327.db2.gz DEZOGPFPGSSFRU-CLCZQPDDSA-N 1 0 448.611 3.440 20 0 IGADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCCCC2 ZINC001164740783 720826332 /nfs/dbraw/zinc/82/63/32/720826332.db2.gz LGELSFSYUGWWOD-WAOWUJCRSA-N 1 0 442.011 3.370 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164748320 720838699 /nfs/dbraw/zinc/83/86/99/720838699.db2.gz UEUQAUIYFAEHCN-AWRGLXIESA-N 1 0 445.571 3.123 20 0 IGADRO Fc1cccc(Oc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164747473 720841835 /nfs/dbraw/zinc/84/18/35/720841835.db2.gz QQWVTJPNIUJRTN-CZTZKLFOSA-N 1 0 449.534 3.379 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]2C1 ZINC001164855925 720843144 /nfs/dbraw/zinc/84/31/44/720843144.db2.gz VONYTTZUJYEEGN-CJNGLKHVSA-N 1 0 444.885 3.141 20 0 IGADRO 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c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cnc4cccnc4n2)C3)c1 ZINC001164753477 720885780 /nfs/dbraw/zinc/88/57/80/720885780.db2.gz HBJSNGZKZIARSY-SQJMNOBHSA-N 1 0 430.556 3.175 20 0 IGADRO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(OCC4CC4)ncn2)C3)c1 ZINC001164755711 720894988 /nfs/dbraw/zinc/89/49/88/720894988.db2.gz NBVWHMPNUFYNCC-BVAGGSTKSA-N 1 0 449.599 3.416 20 0 IGADRO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(OCC4CC4)ncn2)C3)c1 ZINC001164755712 720895090 /nfs/dbraw/zinc/89/50/90/720895090.db2.gz NBVWHMPNUFYNCC-JYFHCDHNSA-N 1 0 449.599 3.416 20 0 IGADRO c1nc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2s1 ZINC001164755633 720896563 /nfs/dbraw/zinc/89/65/63/720896563.db2.gz MFKNDAIGNZVKCY-XXBNENTESA-N 1 0 436.585 3.236 20 0 IGADRO CC(=O)Nc1c(C)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758175 720903087 /nfs/dbraw/zinc/90/30/87/720903087.db2.gz XKJOAINHZIDURE-BVAGGSTKSA-N 1 0 449.599 3.499 20 0 IGADRO 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COc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863352 721085466 /nfs/dbraw/zinc/08/54/66/721085466.db2.gz CBQNYWWBGAXRHQ-SJORKVTESA-N 1 0 425.920 3.167 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164865179 721096453 /nfs/dbraw/zinc/09/64/53/721096453.db2.gz JKXSPCCIGPYUOI-IAGOWNOFSA-N 1 0 425.920 3.167 20 0 IGADRO Cc1cc(OCc2ccccc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880428 721173567 /nfs/dbraw/zinc/17/35/67/721173567.db2.gz WNJQVRHKFATDBB-PKTZIBPZSA-N 1 0 431.540 3.239 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771846 721198235 /nfs/dbraw/zinc/19/82/35/721198235.db2.gz RGZRSQIOSGVLDC-PMACEKPBSA-N 1 0 425.540 3.384 20 0 IGADRO Cc1nc(COC[C@@H]2Cn3nccc3CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)cs1 ZINC001164876705 721332419 /nfs/dbraw/zinc/33/24/19/721332419.db2.gz PMHQPVDATGCYNI-IBGZPJMESA-N 1 0 438.601 3.490 20 0 IGADRO Cc1nc(COC[C@@H]2Cn3nccc3CN(c3ncccc3C[NH+]3CCCC3)C2)cs1 ZINC001164877475 721332483 /nfs/dbraw/zinc/33/24/83/721332483.db2.gz UKYGDNQPBYMXOU-IBGZPJMESA-N 1 0 438.601 3.492 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1 ZINC001164778622 721337741 /nfs/dbraw/zinc/33/77/41/721337741.db2.gz XTRHINLBRGZJDM-QFIPXVFZSA-N 1 0 442.951 3.402 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(F)cccc43)C2)C1 ZINC001164776303 721347803 /nfs/dbraw/zinc/34/78/03/721347803.db2.gz APMWFTIULUWQAN-QHCPKHFHSA-N 1 0 425.508 3.493 20 0 IGADRO COc1nnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c2ccccc21 ZINC001164785140 721365328 /nfs/dbraw/zinc/36/53/28/721365328.db2.gz SCDNSNBBQIHLDQ-DEOSSOPVSA-N 1 0 437.544 3.362 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccnc(N4CCCCC4)n3)C2)C1 ZINC001164782274 721365877 /nfs/dbraw/zinc/36/58/77/721365877.db2.gz MDKAMBFTKOEEQH-XMMPIXPASA-N 1 0 440.592 3.191 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4F)C3)O2)CC1 ZINC001164887309 721385272 /nfs/dbraw/zinc/38/52/72/721385272.db2.gz HOJPHGIPCSLOEE-HNAYVOBHSA-N 1 0 432.918 3.184 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164888331 721408136 /nfs/dbraw/zinc/40/81/36/721408136.db2.gz OGGBPZBWCIMFAI-URXFXBBRSA-N 1 0 425.552 3.048 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164887740 721418134 /nfs/dbraw/zinc/41/81/34/721418134.db2.gz MWDPGDXEWJYCPB-UZLBHIALSA-N 1 0 444.954 3.054 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164887735 721418296 /nfs/dbraw/zinc/41/82/96/721418296.db2.gz MWDPGDXEWJYCPB-JXFKEZNVSA-N 1 0 444.954 3.054 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(n4)-c4ccccc4CC5)C3)O2)CC1 ZINC001164895379 721427741 /nfs/dbraw/zinc/42/77/41/721427741.db2.gz OCSXWBGXRZTSCG-NVQXNPDNSA-N 1 0 433.600 3.008 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccc(F)cc54)C3)O2)CC1 ZINC001164899771 721443455 /nfs/dbraw/zinc/44/34/55/721443455.db2.gz YYYYHYSJIHJOBQ-JTSKRJEESA-N 1 0 433.959 3.188 20 0 IGADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891320 721447351 /nfs/dbraw/zinc/44/73/51/721447351.db2.gz UILCLGJUKAKKHB-CPJSRVTESA-N 1 0 439.579 3.357 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)c(NCC3CC3)n1)CC2 ZINC001164783677 721447630 /nfs/dbraw/zinc/44/76/30/721447630.db2.gz CPABGGFRLPFGBU-JOCHJYFZSA-N 1 0 443.636 3.341 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164787777 721448597 /nfs/dbraw/zinc/44/85/97/721448597.db2.gz QLMNGGFIUVLQJF-KRWDZBQOSA-N 1 0 433.984 3.345 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164784631 721459894 /nfs/dbraw/zinc/45/98/94/721459894.db2.gz IUHFFPKTFWQGKJ-SFHVURJKSA-N 1 0 445.995 3.412 20 0 IGADRO Cc1nc(CN2CC[C@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2=O)cs1 ZINC001164890965 721461557 /nfs/dbraw/zinc/46/15/57/721461557.db2.gz TWMGRZTUHYUIKO-QHCPKHFHSA-N 1 0 425.602 3.461 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164787166 721465126 /nfs/dbraw/zinc/46/51/26/721465126.db2.gz CWKRREVNTLEUGY-MRXNPFEDSA-N 1 0 449.646 3.109 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@@H]3C2)nc1 ZINC001164791896 721483215 /nfs/dbraw/zinc/48/32/15/721483215.db2.gz KLKUDNURTRSWKJ-KJJMTIBFSA-N 1 0 428.577 3.024 20 0 IGADRO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792963 721493260 /nfs/dbraw/zinc/49/32/60/721493260.db2.gz WLDOHAYOKWQRRG-UHFFFAOYSA-N 1 0 429.952 3.122 20 0 IGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164793009 721496534 /nfs/dbraw/zinc/49/65/34/721496534.db2.gz YXWYZFQMSHIDIS-UHFFFAOYSA-N 1 0 435.359 3.158 20 0 IGADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cc2C1 ZINC001164797069 721504535 /nfs/dbraw/zinc/50/45/35/721504535.db2.gz YNCDQBUVQARBHY-FQEVSTJZSA-N 1 0 449.599 3.421 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4scc(-c5ccccc5)c42)CC3)CC1 ZINC001164794064 721511104 /nfs/dbraw/zinc/51/11/04/721511104.db2.gz DKLOVEDRJQIWPJ-UHFFFAOYSA-N 1 0 445.596 3.322 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4c(F)ccc(F)c24)CC3)CC1 ZINC001164794241 721522754 /nfs/dbraw/zinc/52/27/54/721522754.db2.gz AGGOZQWRMFMBQJ-UHFFFAOYSA-N 1 0 432.906 3.131 20 0 IGADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1OCC ZINC001164911279 721531887 /nfs/dbraw/zinc/53/18/87/721531887.db2.gz VYHRSJYHRKNWLA-IEBWSBKVSA-N 1 0 429.492 3.138 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809435 721543856 /nfs/dbraw/zinc/54/38/56/721543856.db2.gz UPMNUBOSRDLLCG-JLMWRMLUSA-N 1 0 444.963 3.483 20 0 IGADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906370 721547101 /nfs/dbraw/zinc/54/71/01/721547101.db2.gz KFMIFALPYXHFNJ-ICSRJNTNSA-N 1 0 442.535 3.040 20 0 IGADRO 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COC(=O)c1cccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ccc21 ZINC001164801876 721585720 /nfs/dbraw/zinc/58/57/20/721585720.db2.gz GAHPIODUJJMENJ-WPFOTENUSA-N 1 0 432.524 3.285 20 0 IGADRO O=C(NC1CC1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904902 721708438 /nfs/dbraw/zinc/70/84/38/721708438.db2.gz FKLKBRYEQCNXLM-JOCHJYFZSA-N 1 0 427.499 3.107 20 0 IGADRO FC1(F)CCN(c2ncnc3c2ncn3C2CC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912183 721725657 /nfs/dbraw/zinc/72/56/57/721725657.db2.gz MLMBUHAQHBFCHQ-NRFANRHFSA-N 1 0 425.487 3.294 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)nc(-c3ccc(F)cc3)n2)CC1 ZINC001165011334 721746415 /nfs/dbraw/zinc/74/64/15/721746415.db2.gz VMTQMVCUQCEBCJ-UHFFFAOYSA-N 1 0 431.943 3.459 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(SCc3ccccc3)n2)CC1 ZINC001165012222 721748206 /nfs/dbraw/zinc/74/82/06/721748206.db2.gz CZRXMAQDNRFTNA-UHFFFAOYSA-N 1 0 425.602 3.292 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccnc(CSc3ccccc3)n2)CC1 ZINC001165013076 721749370 /nfs/dbraw/zinc/74/93/70/721749370.db2.gz SYPQPPYIWMNBSA-UHFFFAOYSA-N 1 0 425.602 3.292 20 0 IGADRO Clc1ccc(CN2CCCC2)c(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)n1 ZINC001165015542 721767030 /nfs/dbraw/zinc/76/70/30/721767030.db2.gz QTDVPZSMQRLJSX-UHFFFAOYSA-N 1 0 438.967 3.149 20 0 IGADRO COC(=O)CSc1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022589 721820895 /nfs/dbraw/zinc/82/08/95/721820895.db2.gz FZESWOOTQVUSKG-YSIASYRMSA-N 1 0 426.586 3.479 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)C[C@@H]21 ZINC001165023122 721827212 /nfs/dbraw/zinc/82/72/12/721827212.db2.gz HSJDWKKMXIHFMT-AVCGJXAMSA-N 1 0 434.588 3.281 20 0 IGADRO COCCOC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165031095 721844680 /nfs/dbraw/zinc/84/46/80/721844680.db2.gz RJCQDWXOFQGLAP-UHFFFAOYSA-N 1 0 443.544 3.003 20 0 IGADRO CC[C@@H]1C(=O)N(C)c2cnc(N(C)CC3CC[NH+](C)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165043188 721935971 /nfs/dbraw/zinc/93/59/71/721935971.db2.gz PVTDADLLNPHNMN-IAGOWNOFSA-N 1 0 436.551 3.004 20 0 IGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044849 721956076 /nfs/dbraw/zinc/95/60/76/721956076.db2.gz QVTVQVZBXOYHGM-UHFFFAOYSA-N 1 0 437.544 3.179 20 0 IGADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC001165055031 722016763 /nfs/dbraw/zinc/01/67/63/722016763.db2.gz ANMRWJIKJDWHSL-UHFFFAOYSA-N 1 0 425.920 3.220 20 0 IGADRO Cc1ccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960616 722025556 /nfs/dbraw/zinc/02/55/56/722025556.db2.gz LLFOWZBOIHCTKL-XXBNENTESA-N 1 0 442.995 3.478 20 0 IGADRO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961160 722051607 /nfs/dbraw/zinc/05/16/07/722051607.db2.gz SWGVCEXODOBFAI-UHFFFAOYSA-N 1 0 430.936 3.036 20 0 IGADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959748 722052209 /nfs/dbraw/zinc/05/22/09/722052209.db2.gz NSUJXDJYECWXHR-AATRIKPKSA-N 1 0 436.556 3.172 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968972 722081152 /nfs/dbraw/zinc/08/11/52/722081152.db2.gz GVKJPSOITKGCJC-CJRSTVEYSA-N 1 0 436.604 3.341 20 0 IGADRO c1ccc(COc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164983917 722106180 /nfs/dbraw/zinc/10/61/80/722106180.db2.gz RCFRUVJMDXURQO-DHIUTWEWSA-N 1 0 431.540 3.178 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983105 722108981 /nfs/dbraw/zinc/10/89/81/722108981.db2.gz YHCFXUZTSKJBQY-UYAOXDASSA-N 1 0 444.963 3.342 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccnc4C4SCCCS4)CC[C@H]3C2)c1 ZINC001164979770 722109353 /nfs/dbraw/zinc/10/93/53/722109353.db2.gz PVJBUINXICLJEC-RBUKOAKNSA-N 1 0 443.642 3.468 20 0 IGADRO COC(=O)c1ccc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979253 722111105 /nfs/dbraw/zinc/11/11/05/722111105.db2.gz PQWABNJBLSFCFN-GMAHTHKFSA-N 1 0 432.524 3.144 20 0 IGADRO CSc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164981848 722113592 /nfs/dbraw/zinc/11/35/92/722113592.db2.gz VIJOXCFJQBTWQP-WIYYLYMNSA-N 1 0 425.602 3.200 20 0 IGADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164973069 722120848 /nfs/dbraw/zinc/12/08/48/722120848.db2.gz GHEQXCDNIQWTSE-XLIONFOSSA-N 1 0 430.936 3.034 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)c1C ZINC001164981020 722127957 /nfs/dbraw/zinc/12/79/57/722127957.db2.gz SAZYRORUYQZEPN-ZWKOTPCHSA-N 1 0 437.922 3.414 20 0 IGADRO FC(F)(COc1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983080 722128237 /nfs/dbraw/zinc/12/82/37/722128237.db2.gz YAQCVSMLGBUYHE-ZWKOTPCHSA-N 1 0 438.906 3.325 20 0 IGADRO CN(C)c1ccc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164978030 722134274 /nfs/dbraw/zinc/13/42/74/722134274.db2.gz JDUPJUAAZYHQRJ-WIOPSUGQSA-N 1 0 444.583 3.332 20 0 IGADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980897 722145924 /nfs/dbraw/zinc/14/59/24/722145924.db2.gz NKHITMSFERZDRT-RDJZCZTQSA-N 1 0 448.905 3.279 20 0 IGADRO COC(=O)c1cccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164977096 722149585 /nfs/dbraw/zinc/14/95/85/722149585.db2.gz ISHDQROOVMDSNJ-CVDCTZTESA-N 1 0 432.524 3.144 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)s1 ZINC001164979711 722151074 /nfs/dbraw/zinc/15/10/74/722151074.db2.gz LVBNLTFZMDWOTH-CTNGQTDRSA-N 1 0 436.585 3.339 20 0 IGADRO Fc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccsc1 ZINC001164977203 722154666 /nfs/dbraw/zinc/15/46/66/722154666.db2.gz YGACMOUUOZXGBT-PXNSSMCTSA-N 1 0 425.533 3.467 20 0 IGADRO O=S(=O)(c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1)N1CCCC1 ZINC001164994777 722211031 /nfs/dbraw/zinc/21/10/31/722211031.db2.gz DGURGTGHSSOKME-HSZRJFAPSA-N 1 0 444.576 3.250 20 0 IGADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@H]2C1 ZINC001164994311 722214599 /nfs/dbraw/zinc/21/45/99/722214599.db2.gz ALRJLLFZQVSDIU-OEMFJLHTSA-N 1 0 434.584 3.148 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c(-c4ccccc4)nsc31)CCC2 ZINC001165003420 722256873 /nfs/dbraw/zinc/25/68/73/722256873.db2.gz CJINSTDMFLCYET-UHFFFAOYSA-N 1 0 449.584 3.438 20 0 IGADRO CCN(c1ccccc1)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncn1 ZINC001165003858 722257330 /nfs/dbraw/zinc/25/73/30/722257330.db2.gz JXGXMHQWWYGRIZ-UHFFFAOYSA-N 1 0 435.576 3.320 20 0 IGADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416116 718884927 /nfs/dbraw/zinc/88/49/27/718884927.db2.gz RZSFIWGJFMLKBW-UHFFFAOYSA-N 1 0 440.285 3.172 20 0 IGADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425624 718914361 /nfs/dbraw/zinc/91/43/61/718914361.db2.gz UCHKLVYIDXSQAW-KRWDZBQOSA-N 1 0 433.286 3.067 20 0 IGADRO Fc1ccccc1-c1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c(Cl)nn1 ZINC001164425526 718919147 /nfs/dbraw/zinc/91/91/47/718919147.db2.gz STKJULCQZONIQZ-LJQANCHMSA-N 1 0 442.869 3.066 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164616066 719013536 /nfs/dbraw/zinc/01/35/36/719013536.db2.gz KIPKOAXWKOBTHX-HERUPUMHSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164613964 719014491 /nfs/dbraw/zinc/01/44/91/719014491.db2.gz ATVWWWBZUPMRLD-HERUPUMHSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164613943 719015642 /nfs/dbraw/zinc/01/56/42/719015642.db2.gz AOPVDEAGOAKMQK-HERUPUMHSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164618842 719019604 /nfs/dbraw/zinc/01/96/04/719019604.db2.gz UBWKXJFNSCPDMZ-JCGIZDLHSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4[nH]c5cc(F)ccc5c43)CC2)CC1 ZINC001164617044 719035258 /nfs/dbraw/zinc/03/52/58/719035258.db2.gz FXOGCOPRDAACOH-UHFFFAOYSA-N 1 0 425.508 3.494 20 0 IGADRO O=S(=O)(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC001164628110 719102926 /nfs/dbraw/zinc/10/29/26/719102926.db2.gz MCFWMJVSEIZAET-FCHUYYIVSA-N 1 0 440.613 3.357 20 0 IGADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164664230 719359886 /nfs/dbraw/zinc/35/98/86/719359886.db2.gz MNACVHSBUKENCA-UHFFFAOYSA-N 1 0 443.617 3.100 20 0 IGADRO Cc1nc2c(cc(-c3nc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)ncc3F)cc2F)n1C(C)C ZINC001164670236 719394061 /nfs/dbraw/zinc/39/40/61/719394061.db2.gz WIDSUCVLAKHECG-MOPGFXCFSA-N 1 0 428.487 3.180 20 0 IGADRO COc1ccc(Cc2c(C)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2C)cc1 ZINC001164679627 719649632 /nfs/dbraw/zinc/64/96/32/719649632.db2.gz IZUUOMNLFUTFEB-UHFFFAOYSA-N 1 0 434.588 3.364 20 0 IGADRO CCc1nc(C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683551 719677823 /nfs/dbraw/zinc/67/78/23/719677823.db2.gz SFEPBBYNXGELOO-FQEVSTJZSA-N 1 0 435.616 3.441 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cl)c(N)n3)CC2)c2ccccc21 ZINC001164681800 719682950 /nfs/dbraw/zinc/68/29/50/719682950.db2.gz AIKUYGIGNKVQPX-QGZVFWFLSA-N 1 0 442.007 3.411 20 0 IGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3nnc(COc4ccccn4)n3CC2)nc1 ZINC001164688248 719686658 /nfs/dbraw/zinc/68/66/58/719686658.db2.gz YUDXIOJKJXZWSY-FQEVSTJZSA-N 1 0 433.560 3.257 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)CC2 ZINC001164690038 719752105 /nfs/dbraw/zinc/75/21/05/719752105.db2.gz QKEFKPHBJZVVFC-UHFFFAOYSA-N 1 0 429.952 3.412 20 0 IGADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695742 719888253 /nfs/dbraw/zinc/88/82/53/719888253.db2.gz UKCFBPBLTMJGRY-UHFFFAOYSA-N 1 0 438.553 3.349 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 ZINC001164804523 720051967 /nfs/dbraw/zinc/05/19/67/720051967.db2.gz LLXHHQOMDYWQAK-AKFKNWHVSA-N 1 0 425.577 3.280 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)C2 ZINC001164810414 720078040 /nfs/dbraw/zinc/07/80/40/720078040.db2.gz LSSCXCQMXSQZIR-HXOBKFHXSA-N 1 0 444.963 3.255 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164813073 720091609 /nfs/dbraw/zinc/09/16/09/720091609.db2.gz SDKYRFXAKYIHJY-FOIQADDNSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164711512 720097702 /nfs/dbraw/zinc/09/77/02/720097702.db2.gz QGRNHTSTNIBKAO-IBGZPJMESA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)C2 ZINC001164807302 720128176 /nfs/dbraw/zinc/12/81/76/720128176.db2.gz BUKVIKPJHBRAQX-MBSDFSHPSA-N 1 0 435.012 3.448 20 0 IGADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164808675 720128328 /nfs/dbraw/zinc/12/83/28/720128328.db2.gz GBLRPQWGWKEDNE-JLTOFOAXSA-N 1 0 443.375 3.145 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3nc(C)no3)cn1)CC2 ZINC001164710501 720144967 /nfs/dbraw/zinc/14/49/67/720144967.db2.gz CAYIHCYUGPYTMH-NRFANRHFSA-N 1 0 434.544 3.343 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccncc3)ncn1)CC2 ZINC001164714115 720145734 /nfs/dbraw/zinc/14/57/34/720145734.db2.gz WGQNTCXDLNIRDZ-QFIPXVFZSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164713093 720153225 /nfs/dbraw/zinc/15/32/25/720153225.db2.gz QOUSCMRQVQUXDI-XLIONFOSSA-N 1 0 435.931 3.160 20 0 IGADRO Cn1nnc2c1CCN(c1c(Cl)cc(Cl)nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164715960 720174056 /nfs/dbraw/zinc/17/40/56/720174056.db2.gz FQBPULTUVGXXIT-AWEZNQCLSA-N 1 0 445.782 3.387 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3ccc(Cl)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718776 720176272 /nfs/dbraw/zinc/17/62/72/720176272.db2.gz QYBUVNQLRGRCHJ-FQEVSTJZSA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3cc(Cl)ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718206 720176298 /nfs/dbraw/zinc/17/62/98/720176298.db2.gz NHZAYESVTNTHBA-FQEVSTJZSA-N 1 0 426.952 3.233 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164820153 720176502 /nfs/dbraw/zinc/17/65/02/720176502.db2.gz ZSDOTNPMOGHTNK-IFXJQAMLSA-N 1 0 425.911 3.341 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)C2 ZINC001164817376 720182184 /nfs/dbraw/zinc/18/21/84/720182184.db2.gz PDWRPKORYSMPPU-CLOONOSVSA-N 1 0 438.572 3.346 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)C2 ZINC001164818346 720183374 /nfs/dbraw/zinc/18/33/74/720183374.db2.gz SKIRQTPZBVCNSA-CJAUYULYSA-N 1 0 439.556 3.215 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ccc(F)cc31)CCC2 ZINC001164811527 720212645 /nfs/dbraw/zinc/21/26/45/720212645.db2.gz JIGULTOEBSHDLW-UHFFFAOYSA-N 1 0 430.915 3.230 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1C ZINC001164811981 720221883 /nfs/dbraw/zinc/22/18/83/720221883.db2.gz BTVNBOLJMPLCNL-UHFFFAOYSA-N 1 0 447.967 3.027 20 0 IGADRO Cc1cc(-c2ccccc2F)nnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164816392 720244120 /nfs/dbraw/zinc/24/41/20/720244120.db2.gz IRPRUEDQNAWZAJ-UHFFFAOYSA-N 1 0 436.535 3.398 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820227 720268530 /nfs/dbraw/zinc/26/85/30/720268530.db2.gz VETZKWLZNMOMGH-FYYLOGMGSA-N 1 0 436.604 3.474 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820230 720268706 /nfs/dbraw/zinc/26/87/06/720268706.db2.gz VETZKWLZNMOMGH-GGAORHGYSA-N 1 0 436.604 3.474 20 0 IGADRO Cc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC001164821639 720292968 /nfs/dbraw/zinc/29/29/68/720292968.db2.gz LQOHWQIQJKNVRO-ROUUACIJSA-N 1 0 426.939 3.500 20 0 IGADRO Cc1cc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC001164821640 720293103 /nfs/dbraw/zinc/29/31/03/720293103.db2.gz 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Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(C(=O)OCc5ccccc5)cn4)C[C@H]3C2)cn1 ZINC001164762540 721212409 /nfs/dbraw/zinc/21/24/09/721212409.db2.gz CRYWEGVCCFVROO-XZOQPEGZSA-N 1 0 431.540 3.130 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)C[C@H]3C2)cn1 ZINC001164759476 721229118 /nfs/dbraw/zinc/22/91/18/721229118.db2.gz AMYJORRNUAPNIJ-RTBURBONSA-N 1 0 431.569 3.445 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(OCc5cccc(Cl)c5)n4)C[C@@H]3C2)cn1 ZINC001164767898 721237617 /nfs/dbraw/zinc/23/76/17/721237617.db2.gz WYOCBRJFWYPFBV-UXHICEINSA-N 1 0 438.963 3.401 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)cnc43)C2)C1 ZINC001164780037 721354493 /nfs/dbraw/zinc/35/44/93/721354493.db2.gz CNJVOBWHCXGGTC-QFIPXVFZSA-N 1 0 442.951 3.402 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164888332 721407989 /nfs/dbraw/zinc/40/79/89/721407989.db2.gz OGGBPZBWCIMFAI-XUZZJYLKSA-N 1 0 425.552 3.048 20 0 IGADRO CSc1nc2ccccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888996 721417064 /nfs/dbraw/zinc/41/70/64/721417064.db2.gz PZPQTCBVDYFHCO-MBSDFSHPSA-N 1 0 427.618 3.117 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164889604 721424703 /nfs/dbraw/zinc/42/47/03/721424703.db2.gz CFZOIDYCJVTVCU-ZJSXRUAMSA-N 1 0 441.551 3.173 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O4)n1)CCC3 ZINC001164895802 721433118 /nfs/dbraw/zinc/43/31/18/721433118.db2.gz PQUGDGGQSABMLZ-MHECFPHRSA-N 1 0 441.645 3.254 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892224 721440475 /nfs/dbraw/zinc/44/04/75/721440475.db2.gz HTUVIXKXSRRAJV-ZJSXRUAMSA-N 1 0 441.551 3.173 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164894329 721445438 /nfs/dbraw/zinc/44/54/38/721445438.db2.gz LSUKNKVQLYYNDO-GAJHUEQPSA-N 1 0 449.521 3.472 20 0 IGADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896175 721446235 /nfs/dbraw/zinc/44/62/35/721446235.db2.gz QTXBWZYEIQAMNG-AUSIDOKSSA-N 1 0 436.044 3.402 20 0 IGADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896181 721446431 /nfs/dbraw/zinc/44/64/31/721446431.db2.gz QTXBWZYEIQAMNG-XXBNENTESA-N 1 0 436.044 3.402 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)c(NC(C)C)n1)CC2 ZINC001164790385 721447821 /nfs/dbraw/zinc/44/78/21/721447821.db2.gz YRDZMCJLAMBZBU-OAQYLSRUSA-N 1 0 431.625 3.339 20 0 IGADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888485 721450489 /nfs/dbraw/zinc/45/04/89/721450489.db2.gz MPEKBBNRNDEVGF-MGPUTAFESA-N 1 0 428.408 3.111 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164785206 721453768 /nfs/dbraw/zinc/45/37/68/721453768.db2.gz HFDUJGNUFCQVOY-SFHVURJKSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164783858 721459624 /nfs/dbraw/zinc/45/96/24/721459624.db2.gz GDYUEWHLQYWYOS-SFHVURJKSA-N 1 0 445.995 3.412 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164791292 721468848 /nfs/dbraw/zinc/46/88/48/721468848.db2.gz WOEBALLTVFKWIX-HXUWFJFHSA-N 1 0 426.561 3.471 20 0 IGADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1Cl ZINC001164805504 721530701 /nfs/dbraw/zinc/53/07/01/721530701.db2.gz LYMMUGOBXKNGPX-IRFCIJBXSA-N 1 0 430.936 3.175 20 0 IGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)COc4ccc(Cl)nn4)CC[N@@H+]3C2)c1 ZINC001164903550 721553607 /nfs/dbraw/zinc/55/36/07/721553607.db2.gz CFLPCBYLAUUYIP-ZBFHGGJFSA-N 1 0 428.842 3.078 20 0 IGADRO COC(=O)c1cccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ccc21 ZINC001164801872 721585704 /nfs/dbraw/zinc/58/57/04/721585704.db2.gz GAHPIODUJJMENJ-FIXSFTCYSA-N 1 0 432.524 3.285 20 0 IGADRO C[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007494 721692482 /nfs/dbraw/zinc/69/24/82/721692482.db2.gz CTFUGYOXONPIOS-OPJGWUQDSA-N 1 0 435.572 3.475 20 0 IGADRO CSc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905608 721695404 /nfs/dbraw/zinc/69/54/04/721695404.db2.gz KBKQYZHSCHUORS-QGZVFWFLSA-N 1 0 426.924 3.380 20 0 IGADRO COC(=O)c1nc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907856 721706722 /nfs/dbraw/zinc/70/67/22/721706722.db2.gz UVTHUYYTWSNIPB-IBGZPJMESA-N 1 0 437.878 3.049 20 0 IGADRO C[C@H]1CC(=O)Nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164906651 721707050 /nfs/dbraw/zinc/70/70/50/721707050.db2.gz NMYILNXCQSAXDL-YCRPNKLZSA-N 1 0 428.487 3.055 20 0 IGADRO CCCNC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907397 721724767 /nfs/dbraw/zinc/72/47/67/721724767.db2.gz ROIMJONTGUBQLA-JOCHJYFZSA-N 1 0 429.515 3.354 20 0 IGADRO 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C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccn2)c(-c2ccccn2)nc1Cl ZINC001164931862 721889328 /nfs/dbraw/zinc/88/93/28/721889328.db2.gz GIUOGAMNHNFWOM-UXHICEINSA-N 1 0 449.990 3.469 20 0 IGADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc(N5CCOCC5)cc4)nn2)C3)co1 ZINC001164931624 721901645 /nfs/dbraw/zinc/90/16/45/721901645.db2.gz VSALBNHFAZONSE-OFNKIYASSA-N 1 0 431.540 3.284 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4C(=O)N4CCCC4)CC3)C2)cc1 ZINC001164937303 721920155 /nfs/dbraw/zinc/92/01/55/721920155.db2.gz BLDLUWWIOBMXCG-UHFFFAOYSA-N 1 0 434.584 3.497 20 0 IGADRO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939728 721933593 /nfs/dbraw/zinc/93/35/93/721933593.db2.gz ANCPQHRXPITXKA-UHFFFAOYSA-N 1 0 443.979 3.060 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164950326 722001572 /nfs/dbraw/zinc/00/15/72/722001572.db2.gz HQVHTVQJTWCNMI-UFGBVDADSA-N 1 0 441.601 3.251 20 0 IGADRO 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/nfs/dbraw/zinc/14/57/32/722145732.db2.gz NKHITMSFERZDRT-WBVHZDCISA-N 1 0 448.905 3.279 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164975025 722148689 /nfs/dbraw/zinc/14/86/89/722148689.db2.gz DTSWLCUBFNIKTM-DHIUTWEWSA-N 1 0 430.556 3.278 20 0 IGADRO CCCSc1ncnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164971686 722156546 /nfs/dbraw/zinc/15/65/46/722156546.db2.gz CYQNMYVLXWQYHN-RBUKOAKNSA-N 1 0 429.590 3.110 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC[C@H]32)cs1 ZINC001164989526 722173333 /nfs/dbraw/zinc/17/33/33/722173333.db2.gz TZNHUVBFGISOQM-WOJBJXKFSA-N 1 0 428.606 3.020 20 0 IGADRO COC(=O)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C(=O)OC ZINC001164993989 722193451 /nfs/dbraw/zinc/19/34/51/722193451.db2.gz KIOYXBMHIGFYNK-HSZRJFAPSA-N 1 0 427.476 3.039 20 0 IGADRO CSc1nc(Cl)cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000612 722251131 /nfs/dbraw/zinc/25/11/31/722251131.db2.gz ULLBKKMETQCTJL-UHFFFAOYSA-N 1 0 446.955 3.082 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3cccc(Cl)c3)ncn1)CCC2 ZINC001165003402 722256791 /nfs/dbraw/zinc/25/67/91/722256791.db2.gz CBSIGOVLGYUGLN-UHFFFAOYSA-N 1 0 426.952 3.482 20 0 IGADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)cc1 ZINC001164388397 718824167 /nfs/dbraw/zinc/82/41/67/718824167.db2.gz BUTPGQLGMQCHHE-DLBZAZTESA-N 1 0 437.874 3.301 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[NH2+]CC[C@@H]43)c2c1C ZINC001164412554 718876055 /nfs/dbraw/zinc/87/60/55/718876055.db2.gz WQEOGTAKORDIJH-CVEARBPZSA-N 1 0 429.590 3.103 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4C[C@]4([NH3+])C3)c2c1C ZINC001164418228 718896448 /nfs/dbraw/zinc/89/64/48/718896448.db2.gz CENXSPGMWQYVKH-QRQCRPRQSA-N 1 0 429.590 3.090 20 0 IGADRO c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164423981 718945838 /nfs/dbraw/zinc/94/58/38/718945838.db2.gz LCHIMLSIVUAHFM-UXHICEINSA-N 1 0 447.608 3.088 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC[C@H]4[NH2+]C[C@@H]43)c2c1C ZINC001164448952 719000750 /nfs/dbraw/zinc/00/07/50/719000750.db2.gz KMKPWAXKCWKIJZ-CVEARBPZSA-N 1 0 429.590 3.103 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164617099 719006853 /nfs/dbraw/zinc/00/68/53/719006853.db2.gz MHUKJPFNYZDXFD-KPZWWZAWSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164613979 719019977 /nfs/dbraw/zinc/01/99/77/719019977.db2.gz AYOPJJRKOBZYEF-FHLIZLRMSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(-c4ccncc4)n3)CC2)CC1 ZINC001164616464 719034605 /nfs/dbraw/zinc/03/46/05/719034605.db2.gz CRNKTEKIIQJYAU-UHFFFAOYSA-N 1 0 429.952 3.436 20 0 IGADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@H]5C[N@H+](Cc6ccccc6)C[C@H]54)c3)cc21 ZINC001164619920 719075913 /nfs/dbraw/zinc/07/59/13/719075913.db2.gz DCVZYTYUPBXMLZ-GBXCKJPGSA-N 1 0 427.552 3.463 20 0 IGADRO CC(C)N(C)Cc1nn(-c2cc(C(=O)N3CCCCC3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683907 719610633 /nfs/dbraw/zinc/61/06/33/719610633.db2.gz LERFHAAJCZAXHY-UHFFFAOYSA-N 1 0 430.984 3.033 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(NC4CC4)n3)CC2)c2ccccc21 ZINC001164681374 719655103 /nfs/dbraw/zinc/65/51/03/719655103.db2.gz MVOMGUOOIMKSMO-LJQANCHMSA-N 1 0 448.615 3.144 20 0 IGADRO CSc1nccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681389 719657517 /nfs/dbraw/zinc/65/75/17/719657517.db2.gz NIQLQZIIFMNHMH-SFHVURJKSA-N 1 0 439.629 3.292 20 0 IGADRO Cn1cnc2c1ccnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681843 719660228 /nfs/dbraw/zinc/66/02/28/719660228.db2.gz RRFLMHILFNHFEY-IBGZPJMESA-N 1 0 446.599 3.062 20 0 IGADRO Cc1cc2c(ncnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164685241 719663502 /nfs/dbraw/zinc/66/35/02/719663502.db2.gz YPQBFAPGDMISIX-LJQANCHMSA-N 1 0 446.599 3.360 20 0 IGADRO CC(=O)Nc1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681129 719667839 /nfs/dbraw/zinc/66/78/39/719667839.db2.gz JYGMFNGYFVPWEZ-HXUWFJFHSA-N 1 0 449.599 3.133 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(Cl)cc3N)CC2)c2ccccc21 ZINC001164680408 719676529 /nfs/dbraw/zinc/67/65/29/719676529.db2.gz DSBFDLKEHXZYBZ-KRWDZBQOSA-N 1 0 442.007 3.411 20 0 IGADRO CSc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164681197 719677250 /nfs/dbraw/zinc/67/72/50/719677250.db2.gz KMORGNHVMPJVTJ-GOSISDBHSA-N 1 0 439.629 3.292 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnc4c(n3)CCCC4)CC2)c2ccccc21 ZINC001164686442 719681594 /nfs/dbraw/zinc/68/15/94/719681594.db2.gz MPHBTSNUYRRRFR-HXUWFJFHSA-N 1 0 447.627 3.449 20 0 IGADRO COCCn1ccc2c1ncnc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694396 719809774 /nfs/dbraw/zinc/80/97/74/719809774.db2.gz WWZORPNJBNVZIZ-UHFFFAOYSA-N 1 0 426.590 3.478 20 0 IGADRO COC(=O)c1cc2cnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)nc2n1C ZINC001164693861 719812455 /nfs/dbraw/zinc/81/24/55/719812455.db2.gz ZBPRVCCHZHMRQX-UHFFFAOYSA-N 1 0 440.573 3.155 20 0 IGADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(S(=O)(=O)NC(C)C)cn2)CC3)cs1 ZINC001164691153 719813077 /nfs/dbraw/zinc/81/30/77/719813077.db2.gz ABBYZDSMYWHHRK-UHFFFAOYSA-N 1 0 449.646 3.168 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164812337 720083156 /nfs/dbraw/zinc/08/31/56/720083156.db2.gz QPKQWOZEHXLTPE-YIXXDRMTSA-N 1 0 447.627 3.220 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164814989 720108983 /nfs/dbraw/zinc/10/89/83/720108983.db2.gz VCAYXZNGYZXRJO-FOIQADDNSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)CC2 ZINC001164710393 720134552 /nfs/dbraw/zinc/13/45/52/720134552.db2.gz ATYRGUISFZFGCS-HXUWFJFHSA-N 1 0 449.555 3.252 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(N3CCCCC3)n1)CC2 ZINC001164711740 720139201 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VQLRNAKMLRTPEB-UXHICEINSA-N 1 0 441.601 3.091 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821108 720309275 /nfs/dbraw/zinc/30/92/75/720309275.db2.gz JOKJXAZDTVSHGK-QZTJIDSGSA-N 1 0 448.995 3.132 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c(F)cccc32)CC1 ZINC001164822609 720314451 /nfs/dbraw/zinc/31/44/51/720314451.db2.gz NMAZHZAIQHJEAL-MSOLQXFVSA-N 1 0 431.943 3.334 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831961 720328910 /nfs/dbraw/zinc/32/89/10/720328910.db2.gz SMKVAFNDTZTROU-PKTZIBPZSA-N 1 0 435.572 3.064 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCC3 ZINC001164830253 720337234 /nfs/dbraw/zinc/33/72/34/720337234.db2.gz VPSMJGCGNQKMJA-RTBURBONSA-N 1 0 439.629 3.400 20 0 IGADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2cccs2)n1 ZINC001164821737 720344497 /nfs/dbraw/zinc/34/44/97/720344497.db2.gz BPBIFECAXYDQRK-OALUTQOASA-N 1 0 425.602 3.425 20 0 IGADRO COc1cc2ccnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1F ZINC001164831625 720352683 /nfs/dbraw/zinc/35/26/83/720352683.db2.gz ZFUXWVGYZKZCOG-RTWAWAEBSA-N 1 0 426.536 3.294 20 0 IGADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)OCC ZINC001164723035 720385354 /nfs/dbraw/zinc/38/53/54/720385354.db2.gz FPFLMEIMZFZZSE-RBUKOAKNSA-N 1 0 431.968 3.320 20 0 IGADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164730967 720414949 /nfs/dbraw/zinc/41/49/49/720414949.db2.gz KNOFKPFZGGMFPS-PMACEKPBSA-N 1 0 437.544 3.101 20 0 IGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164832400 720507439 /nfs/dbraw/zinc/50/74/39/720507439.db2.gz ANVCVBOONWODQO-ZHALLVOQSA-N 1 0 431.968 3.486 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3CSCC4)CC[C@@H]21 ZINC001164841752 720517344 /nfs/dbraw/zinc/51/73/44/720517344.db2.gz ZZFCNGXFBHHNAD-GJYPPUQNSA-N 1 0 433.025 3.494 20 0 IGADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)no1 ZINC001164842732 720599329 /nfs/dbraw/zinc/59/93/29/720599329.db2.gz VIGRQBIJBIOLOP-IRFCIJBXSA-N 1 0 449.559 3.205 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Oc3cnc(Cl)cn3)CC[C@@H]21 ZINC001164842019 720647033 /nfs/dbraw/zinc/64/70/33/720647033.db2.gz RQBMZLWPDSKNMD-JYJNAYRXSA-N 1 0 426.899 3.129 20 0 IGADRO COC(=O)c1nc2cnccc2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842677 720697831 /nfs/dbraw/zinc/69/78/31/720697831.db2.gz MMLQYQULHRXGSR-LJQANCHMSA-N 1 0 447.539 3.071 20 0 IGADRO CCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836874 720729022 /nfs/dbraw/zinc/72/90/22/720729022.db2.gz HAVOJDNVBRUBCV-SFHVURJKSA-N 1 0 443.979 3.140 20 0 IGADRO Nc1cc(Cl)nc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c1 ZINC001164844031 720742894 /nfs/dbraw/zinc/74/28/94/720742894.db2.gz OAEVIZBWPYDCGB-UHFFFAOYSA-N 1 0 445.905 3.220 20 0 IGADRO 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c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164752008 720858241 /nfs/dbraw/zinc/85/82/41/720858241.db2.gz SHZPGRJICZKWTM-FKBYEOEOSA-N 1 0 437.592 3.017 20 0 IGADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc(N4CCCC4)n2)C3)c1 ZINC001164747177 720867272 /nfs/dbraw/zinc/86/72/72/720867272.db2.gz AIBYVNLISMTSTQ-OZXSUGGESA-N 1 0 448.615 3.227 20 0 IGADRO CSc1nccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749708 720871015 /nfs/dbraw/zinc/87/10/15/720871015.db2.gz HUZGHMBLHBNIIP-NFBKMPQASA-N 1 0 425.602 3.349 20 0 IGADRO Cn1ccc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754849 720877167 /nfs/dbraw/zinc/87/71/67/720877167.db2.gz TXUDFVWJEAHZJK-PXDATVDWSA-N 1 0 432.572 3.118 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC[C@H]2C1 ZINC001164864252 720878041 /nfs/dbraw/zinc/87/80/41/720878041.db2.gz VFQYKGDKMNYEKM-KXBFYZLASA-N 1 0 436.915 3.235 20 0 IGADRO 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CCOC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1C(=O)OCC ZINC001164861424 721022229 /nfs/dbraw/zinc/02/22/29/721022229.db2.gz OLNKNMCXFWJHPN-INIZCTEOSA-N 1 0 443.548 3.053 20 0 IGADRO CNS(=O)(=O)c1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc1 ZINC001164759984 721045934 /nfs/dbraw/zinc/04/59/34/721045934.db2.gz SMJFQNQPNFFRIS-UHFFFAOYSA-N 1 0 428.602 3.181 20 0 IGADRO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767390 721081137 /nfs/dbraw/zinc/08/11/37/721081137.db2.gz LPJXHAYWZWVAHU-UONOGXRCSA-N 1 0 428.940 3.089 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164763413 721149416 /nfs/dbraw/zinc/14/94/16/721149416.db2.gz FORHUWCEGOCSSD-SFTDATJTSA-N 1 0 445.546 3.311 20 0 IGADRO CCOC(=O)c1cc2c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164773549 721158080 /nfs/dbraw/zinc/15/80/80/721158080.db2.gz YIPYZFWXMQGRNR-OALUTQOASA-N 1 0 436.560 3.048 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164766894 721245248 /nfs/dbraw/zinc/24/52/48/721245248.db2.gz VSXGATDYVDOTEE-LSDHHAIUSA-N 1 0 430.767 3.390 20 0 IGADRO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]2C1 ZINC001164876608 721298517 /nfs/dbraw/zinc/29/85/17/721298517.db2.gz JPDDPNHJVYNQSQ-CTNGQTDRSA-N 1 0 426.586 3.106 20 0 IGADRO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164776788 721308426 /nfs/dbraw/zinc/30/84/26/721308426.db2.gz PNJLRZOEMJCXTQ-UHFFFAOYSA-N 1 0 435.572 3.063 20 0 IGADRO Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164778051 721326314 /nfs/dbraw/zinc/32/63/14/721326314.db2.gz TYPJYSNGDKEISA-IBGZPJMESA-N 1 0 442.535 3.297 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4[nH]ccc43)C2)C1 ZINC001164776357 721332238 /nfs/dbraw/zinc/33/22/38/721332238.db2.gz DYNCMSRWOVYQPN-NRFANRHFSA-N 1 0 430.940 3.335 20 0 IGADRO Cc1nc(COC[C@H]2Cn3nccc3CN(c3ccc(C[NH+]4CCCC4)cn3)C2)cs1 ZINC001164876897 721332472 /nfs/dbraw/zinc/33/24/72/721332472.db2.gz RMKFRDUVWPSRKB-HXUWFJFHSA-N 1 0 438.601 3.492 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c[nH]c4ncnc(Cl)c34)C2)C1 ZINC001164776250 721338387 /nfs/dbraw/zinc/33/83/87/721338387.db2.gz DIIDEQRSMJYQAA-NRFANRHFSA-N 1 0 430.940 3.287 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cccc(F)c43)C2)C1 ZINC001164779795 721353328 /nfs/dbraw/zinc/35/33/28/721353328.db2.gz WRVQLWYUTTWBAV-HSZRJFAPSA-N 1 0 425.508 3.493 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc(Cl)n1 ZINC001164890472 721387893 /nfs/dbraw/zinc/38/78/93/721387893.db2.gz NMAFYGLASYLOQX-YLJYHZDGSA-N 1 0 444.954 3.054 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164887746 721407978 /nfs/dbraw/zinc/40/79/78/721407978.db2.gz NEVMGADYTPBGCA-FDDCHVKYSA-N 1 0 434.028 3.164 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(-c5c[nH]c6ccccc56)n4)C3)O2)CC1 ZINC001164888956 721408613 /nfs/dbraw/zinc/40/86/13/721408613.db2.gz PUVWHGDTTMWMDE-RXFWQSSRSA-N 1 0 446.599 3.390 20 0 IGADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885209 721412789 /nfs/dbraw/zinc/41/27/89/721412789.db2.gz GGJDVIQXUDTYFW-FDDCHVKYSA-N 1 0 429.996 3.357 20 0 IGADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891505 721430276 /nfs/dbraw/zinc/43/02/76/721430276.db2.gz GTPINMJMFKOFDK-MBSDFSHPSA-N 1 0 447.027 3.431 20 0 IGADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2cccs2)n1 ZINC001164899513 721440902 /nfs/dbraw/zinc/44/09/02/721440902.db2.gz YSNJLXWGWJSVJX-XXBNENTESA-N 1 0 427.618 3.279 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccc(F)cc54)C3)O2)CC1 ZINC001164899775 721443410 /nfs/dbraw/zinc/44/34/10/721443410.db2.gz YYYYHYSJIHJOBQ-VGSWGCGISA-N 1 0 433.959 3.188 20 0 IGADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888488 721450466 /nfs/dbraw/zinc/45/04/66/721450466.db2.gz MPEKBBNRNDEVGF-QRWLVFNGSA-N 1 0 428.408 3.111 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164783239 721452459 /nfs/dbraw/zinc/45/24/59/721452459.db2.gz AQNIVTMKQGLETF-QGZVFWFLSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164783537 721454793 /nfs/dbraw/zinc/45/47/93/721454793.db2.gz CGPXHBNRELYOCF-FQEVSTJZSA-N 1 0 440.588 3.372 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc(Cl)c1OC)CC2 ZINC001164788644 721459471 /nfs/dbraw/zinc/45/94/71/721459471.db2.gz VBNNKBGGWGHLFX-SFHVURJKSA-N 1 0 439.000 3.181 20 0 IGADRO c1cn2c(n1)CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@@H](COCc1ccccn1)C2 ZINC001164887562 721470006 /nfs/dbraw/zinc/47/00/06/721470006.db2.gz BSTVCDCKONTGLR-NRFANRHFSA-N 1 0 448.571 3.001 20 0 IGADRO c1cnn(C[C@@H]2Cn3ccnc3CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)c1 ZINC001164893838 721486414 /nfs/dbraw/zinc/48/64/14/721486414.db2.gz DNSVBLHDLQLYMA-JOCHJYFZSA-N 1 0 439.567 3.370 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4ccccc4c(-c4ccccc4)n2)CC3)CC1 ZINC001164794234 721513464 /nfs/dbraw/zinc/51/34/64/721513464.db2.gz LWSIRXKHTOJDBH-UHFFFAOYSA-N 1 0 439.567 3.261 20 0 IGADRO O=C(NCc1ccccc1)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899980 721515577 /nfs/dbraw/zinc/51/55/77/721515577.db2.gz MWROAUDICTVMCC-JTHBVZDNSA-N 1 0 446.526 3.493 20 0 IGADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164912056 721533877 /nfs/dbraw/zinc/53/38/77/721533877.db2.gz YMJHTHDGYPJDGZ-AZUAARDMSA-N 1 0 436.487 3.288 20 0 IGADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164910343 721534895 /nfs/dbraw/zinc/53/48/95/721534895.db2.gz UJCVGGROCRGKCO-MJGOQNOKSA-N 1 0 438.503 3.436 20 0 IGADRO COC(=O)c1ccc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1 ZINC001164806615 721547464 /nfs/dbraw/zinc/54/74/64/721547464.db2.gz PGFIXVKIHXQOGR-VJBWXMMDSA-N 1 0 432.524 3.285 20 0 IGADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164908038 721566944 /nfs/dbraw/zinc/56/69/44/721566944.db2.gz PKKGLZFGBHZUMN-DZGCQCFKSA-N 1 0 428.842 3.165 20 0 IGADRO CCOC(=O)c1cc2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH]c-2n1 ZINC001164798131 721567343 /nfs/dbraw/zinc/56/73/43/721567343.db2.gz AIMXKWAUHHFEFM-RZUBCFFCSA-N 1 0 435.528 3.003 20 0 IGADRO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164904465 721578478 /nfs/dbraw/zinc/57/84/78/721578478.db2.gz QIWXWGWYRUICGV-HSZRJFAPSA-N 1 0 439.604 3.441 20 0 IGADRO COC(=O)c1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164904885 721696262 /nfs/dbraw/zinc/69/62/62/721696262.db2.gz HNDYSMCQDNYLBQ-JOCHJYFZSA-N 1 0 441.482 3.482 20 0 IGADRO COC(=O)c1cc(F)c(C)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905675 721705591 /nfs/dbraw/zinc/70/55/91/721705591.db2.gz IJCFBHSRZALZMP-NRFANRHFSA-N 1 0 434.462 3.448 20 0 IGADRO Cn1c(=O)ccc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164907380 721706762 /nfs/dbraw/zinc/70/67/62/721706762.db2.gz RHVDDPJNXQUQSB-QFIPXVFZSA-N 1 0 425.483 3.066 20 0 IGADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165024608 721805904 /nfs/dbraw/zinc/80/59/04/721805904.db2.gz MJOUEQHRNBVCJP-PWIZWCRZSA-N 1 0 434.544 3.267 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)C[C@H]21 ZINC001165025233 721815320 /nfs/dbraw/zinc/81/53/20/721815320.db2.gz MAYKWRQJVYOVBP-BPLDGKMQSA-N 1 0 435.359 3.014 20 0 IGADRO CCOC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(OC)c1 ZINC001165021218 721842059 /nfs/dbraw/zinc/84/20/59/721842059.db2.gz IGWFKNRDMAJCAH-UHFFFAOYSA-N 1 0 443.544 3.385 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2nc(C)n3C)CC1 ZINC001165020233 721843595 /nfs/dbraw/zinc/84/35/95/721843595.db2.gz AJDPZFPZAYLORR-UHFFFAOYSA-N 1 0 444.967 3.443 20 0 IGADRO Cc1cc2c(ncnc2N2CC[NH+](C3CCCC3)CC2)n1S(=O)(=O)c1ccccc1 ZINC001165029268 721854436 /nfs/dbraw/zinc/85/44/36/721854436.db2.gz IPODZOGTAYFCFC-UHFFFAOYSA-N 1 0 425.558 3.041 20 0 IGADRO C[C@H]1C(=O)NCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165035158 721883497 /nfs/dbraw/zinc/88/34/97/721883497.db2.gz CUFMCNCUQQUBJG-INIZCTEOSA-N 1 0 426.948 3.081 20 0 IGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1 ZINC001164935967 721909786 /nfs/dbraw/zinc/90/97/86/721909786.db2.gz QHZHCLNEVLATCM-QHCPKHFHSA-N 1 0 438.620 3.233 20 0 IGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045295 721956070 /nfs/dbraw/zinc/95/60/70/721956070.db2.gz RUIHRXQOALMHLS-UHFFFAOYSA-N 1 0 426.904 3.271 20 0 IGADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045500 721956099 /nfs/dbraw/zinc/95/60/99/721956099.db2.gz WJDBNWDRBMNFJF-SFHVURJKSA-N 1 0 442.951 3.380 20 0 IGADRO CC(=O)Oc1cc2ncnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2cc1OC(C)=O ZINC001165050432 721973479 /nfs/dbraw/zinc/97/34/79/721973479.db2.gz XRTABKUISISKSA-SFHVURJKSA-N 1 0 426.517 3.325 20 0 IGADRO Cc1nc(Cn2c(=O)ccc3c2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)CC3)cs1 ZINC001164950723 722007476 /nfs/dbraw/zinc/00/74/76/722007476.db2.gz FSPOVHUKVJZMAR-UHFFFAOYSA-N 1 0 435.597 3.256 20 0 IGADRO CN(C)C(=O)c1cc2cnc(N3CC[NH+](CCc4ccccn4)CC3)nc2n1C1CCCC1 ZINC001165056609 722013094 /nfs/dbraw/zinc/01/30/94/722013094.db2.gz YGZLIMFOIOUPNN-UHFFFAOYSA-N 1 0 447.587 3.008 20 0 IGADRO COC(=O)c1c(Cl)cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1OC ZINC001164956107 722020531 /nfs/dbraw/zinc/02/05/31/722020531.db2.gz WLRGDMJLSWTBMP-UHFFFAOYSA-N 1 0 430.936 3.418 20 0 IGADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2C1 ZINC001164963337 722025054 /nfs/dbraw/zinc/02/50/54/722025054.db2.gz SJLDNCYNLZWGIC-FQEVSTJZSA-N 1 0 435.572 3.032 20 0 IGADRO O=C1[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968824 722082301 /nfs/dbraw/zinc/08/23/01/722082301.db2.gz HSUHVARNRVCEGW-PKTZIBPZSA-N 1 0 438.547 3.070 20 0 IGADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986392 722100989 /nfs/dbraw/zinc/10/09/89/722100989.db2.gz YXVROGVEOCTUSO-GDBMZVCRSA-N 1 0 444.313 3.451 20 0 IGADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983883 722106881 /nfs/dbraw/zinc/10/68/81/722106881.db2.gz QVPICWBEIXZBQV-HOCLYGCPSA-N 1 0 444.313 3.451 20 0 IGADRO COc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975700 722111346 /nfs/dbraw/zinc/11/13/46/722111346.db2.gz KKJBLZMXLCKAOP-DYESRHJHSA-N 1 0 439.947 3.414 20 0 IGADRO CSc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCCC2 ZINC001164981846 722113392 /nfs/dbraw/zinc/11/33/92/722113392.db2.gz VIJOXCFJQBTWQP-RXVVDRJESA-N 1 0 425.602 3.200 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164973886 722115218 /nfs/dbraw/zinc/11/52/18/722115218.db2.gz HVEKDBQXWGFKSO-AEFFLSMTSA-N 1 0 438.906 3.411 20 0 IGADRO Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983727 722125164 /nfs/dbraw/zinc/12/51/64/722125164.db2.gz ZIJYEQICOVAYQT-IFMALSPDSA-N 1 0 442.007 3.453 20 0 IGADRO c1ccc(COc2cnnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982673 722125955 /nfs/dbraw/zinc/12/59/55/722125955.db2.gz XREBYSKMEQQDAP-UPVQGACJSA-N 1 0 431.540 3.178 20 0 IGADRO FC(F)(COc1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983079 722128358 /nfs/dbraw/zinc/12/83/58/722128358.db2.gz YAQCVSMLGBUYHE-ROUUACIJSA-N 1 0 438.906 3.325 20 0 IGADRO COC(=O)c1ccc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164984600 722137182 /nfs/dbraw/zinc/13/71/82/722137182.db2.gz XNLBGVYARAMAHL-GGAORHGYSA-N 1 0 432.524 3.144 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983311 722141449 /nfs/dbraw/zinc/14/14/49/722141449.db2.gz TYLBEAXEHZUASK-QPPBQGQZSA-N 1 0 431.540 3.275 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975231 722145109 /nfs/dbraw/zinc/14/51/09/722145109.db2.gz GDGHMLCIXPJPPQ-QPPBQGQZSA-N 1 0 431.540 3.275 20 0 IGADRO COc1cc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164977098 722153209 /nfs/dbraw/zinc/15/32/09/722153209.db2.gz WTGSGRYNXYZDEJ-YADARESESA-N 1 0 434.540 3.374 20 0 IGADRO COc1cc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976358 722153450 /nfs/dbraw/zinc/15/34/50/722153450.db2.gz WTGSGRYNXYZDEJ-CYFREDJKSA-N 1 0 434.540 3.374 20 0 IGADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164971059 722158035 /nfs/dbraw/zinc/15/80/35/722158035.db2.gz ACBHSUXZBADJME-UTKZUKDTSA-N 1 0 432.503 3.373 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC[C@@H]32)cs1 ZINC001164989520 722173443 /nfs/dbraw/zinc/17/34/43/722173443.db2.gz TZNHUVBFGISOQM-PMACEKPBSA-N 1 0 428.606 3.020 20 0 IGADRO CCc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(N2CCOCC2)n1 ZINC001164996344 722204265 /nfs/dbraw/zinc/20/42/65/722204265.db2.gz UEIGOFBKUMQHBG-DEOSSOPVSA-N 1 0 425.552 3.260 20 0 IGADRO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994851 722207750 /nfs/dbraw/zinc/20/77/50/722207750.db2.gz ISFGHMUMYFYBSU-QFIPXVFZSA-N 1 0 432.565 3.152 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CCC2 ZINC001165002604 722254657 /nfs/dbraw/zinc/25/46/57/722254657.db2.gz RLYSQQFAPPZPRS-UHFFFAOYSA-N 1 0 449.983 3.375 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CCC2 ZINC001165004722 722258258 /nfs/dbraw/zinc/25/82/58/722258258.db2.gz VBUDULIQJWCTQV-UHFFFAOYSA-N 1 0 448.782 3.383 20 0 IGADRO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)c(Cl)nn2)c1 ZINC001164399790 718844560 /nfs/dbraw/zinc/84/45/60/718844560.db2.gz GMGQFVBVYJZPME-AWEZNQCLSA-N 1 0 447.839 3.455 20 0 IGADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3cccc(C(F)(F)F)c3)nnc1Cl)C2 ZINC001164406920 718854731 /nfs/dbraw/zinc/85/47/31/718854731.db2.gz PBPQFWQKXIBVFJ-CXAGYDPISA-N 1 0 448.823 3.379 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[NH2+]CC[C@H]43)c2c1C ZINC001164412557 718876002 /nfs/dbraw/zinc/87/60/02/718876002.db2.gz WQEOGTAKORDIJH-JKSUJKDBSA-N 1 0 429.590 3.103 20 0 IGADRO Cc1ccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164422700 718919159 /nfs/dbraw/zinc/91/91/59/718919159.db2.gz ABSWHQYZBWIQBH-HXUWFJFHSA-N 1 0 438.906 3.236 20 0 IGADRO Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164423014 718919314 /nfs/dbraw/zinc/91/93/14/718919314.db2.gz CYEZOYLDWTZGPP-HXUWFJFHSA-N 1 0 438.906 3.236 20 0 IGADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)cnc1Cl ZINC001164430782 718948567 /nfs/dbraw/zinc/94/85/67/718948567.db2.gz YILKKNOMONAURO-CVEARBPZSA-N 1 0 427.904 3.149 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164615302 719019454 /nfs/dbraw/zinc/01/94/54/719019454.db2.gz IGGIPNVKCZKCCN-NVGVWMPQSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164616998 719027973 /nfs/dbraw/zinc/02/79/73/719027973.db2.gz HTQJZVXPOHADNV-UHFFFAOYSA-N 1 0 437.968 3.464 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4cc(OC)c(OC)cc4n3)CC2)CC1 ZINC001164617897 719028565 /nfs/dbraw/zinc/02/85/65/719028565.db2.gz QYPOANNWUACAPB-UHFFFAOYSA-N 1 0 427.545 3.496 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(-c4ccc(N(C)C)cc4)n3)CC2)CC1 ZINC001164617432 719030018 /nfs/dbraw/zinc/03/00/18/719030018.db2.gz LXYKUUYRGIZOLC-UHFFFAOYSA-N 1 0 437.588 3.454 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)CC1 ZINC001164618624 719033180 /nfs/dbraw/zinc/03/31/80/719033180.db2.gz WGVKWRHYYNXRJG-UHFFFAOYSA-N 1 0 435.572 3.271 20 0 IGADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@H]5C[N@H+](Cc6ccccc6)C[C@@H]54)c3)cc21 ZINC001164619927 719075816 /nfs/dbraw/zinc/07/58/16/719075816.db2.gz DCVZYTYUPBXMLZ-RDPSFJRHSA-N 1 0 427.552 3.463 20 0 IGADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164631429 719095658 /nfs/dbraw/zinc/09/56/58/719095658.db2.gz YBPGWEWYMUXGOE-RDJZCZTQSA-N 1 0 425.920 3.499 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)c23)C1 ZINC001164667893 719443478 /nfs/dbraw/zinc/44/34/78/719443478.db2.gz IEABGVWDSJKXAJ-QRQLOZEOSA-N 1 0 441.645 3.321 20 0 IGADRO CC(C)N(C)Cc1nn(-c2ncnc3c2ccn3Cc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164684690 719624725 /nfs/dbraw/zinc/62/47/25/719624725.db2.gz WJFVHXOYJQOJLK-UHFFFAOYSA-N 1 0 433.535 3.290 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cccnc43)CC2)c2ccccc21 ZINC001164680631 719659237 /nfs/dbraw/zinc/65/92/37/719659237.db2.gz GMLCBDWJQRQXBU-IBGZPJMESA-N 1 0 444.583 3.118 20 0 IGADRO CCc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)n1 ZINC001164686242 719673560 /nfs/dbraw/zinc/67/35/60/719673560.db2.gz WUNKGHUTVZKRIA-FQEVSTJZSA-N 1 0 435.616 3.441 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc(Cl)cc3N)CC2)c2ccccc21 ZINC001164681040 719676427 /nfs/dbraw/zinc/67/64/27/719676427.db2.gz IYMCKOCLOXLBKL-KRWDZBQOSA-N 1 0 442.007 3.411 20 0 IGADRO FC(F)(Oc1cnc(Cl)cn1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706958 719908825 /nfs/dbraw/zinc/90/88/25/719908825.db2.gz MDNMSWIFKAMJCK-UHFFFAOYSA-N 1 0 430.908 3.488 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164809257 720096745 /nfs/dbraw/zinc/09/67/45/720096745.db2.gz IZPBYZXUIAURQY-OXQOHEQNSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164810454 720127345 /nfs/dbraw/zinc/12/73/45/720127345.db2.gz JWIBJRCKIAUNIR-OXQOHEQNSA-N 1 0 443.922 3.251 20 0 IGADRO CCCNC(=O)c1cccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164713080 720141653 /nfs/dbraw/zinc/14/16/53/720141653.db2.gz QFOWNAQYRFEGCZ-OAQYLSRUSA-N 1 0 437.588 3.124 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)C2 ZINC001164817888 720158434 /nfs/dbraw/zinc/15/84/34/720158434.db2.gz QQYPQMRSSNGWGR-HWBMXIPRSA-N 1 0 427.589 3.323 20 0 IGADRO Cn1nnc2c1CCN(c1nc(Cl)cc3cc(F)ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164713515 720164654 /nfs/dbraw/zinc/16/46/54/720164654.db2.gz LUUUXFWCWOKMGF-IBGZPJMESA-N 1 0 444.942 3.372 20 0 IGADRO Cc1ccc(F)c2cc(C)c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc12 ZINC001164719563 720188036 /nfs/dbraw/zinc/18/80/36/720188036.db2.gz WFTQSBFMAORQQH-NRFANRHFSA-N 1 0 438.551 3.335 20 0 IGADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716019 720196560 /nfs/dbraw/zinc/19/65/60/720196560.db2.gz OHOSTMHMFOKNRP-QGZVFWFLSA-N 1 0 448.015 3.081 20 0 IGADRO CCc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164715597 720199571 /nfs/dbraw/zinc/19/95/71/720199571.db2.gz LDTWCYQKQCIAIT-QHCPKHFHSA-N 1 0 447.587 3.051 20 0 IGADRO Cn1nnc2c1CCN(c1nc(Cl)cc3cccc(F)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717267 720207139 /nfs/dbraw/zinc/20/71/39/720207139.db2.gz HSMVEMBIIQXRGJ-SFHVURJKSA-N 1 0 444.942 3.372 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)nc1Cl)CCC2 ZINC001164815291 720211201 /nfs/dbraw/zinc/21/12/01/720211201.db2.gz YIMQDBHJXKIMNZ-UHFFFAOYSA-N 1 0 447.317 3.136 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cccc(F)c31)CCC2 ZINC001164811912 720218855 /nfs/dbraw/zinc/21/88/55/720218855.db2.gz AHCGJEFEEPHXRY-UHFFFAOYSA-N 1 0 430.915 3.230 20 0 IGADRO COc1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c(Cl)nc2c1 ZINC001164814723 720218973 /nfs/dbraw/zinc/21/89/73/720218973.db2.gz WSHQAAIDRFCZNH-UHFFFAOYSA-N 1 0 442.951 3.099 20 0 IGADRO COc1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(Cl)n1 ZINC001164814918 720221638 /nfs/dbraw/zinc/22/16/38/720221638.db2.gz ZYCMDJHHBQTTAV-UHFFFAOYSA-N 1 0 441.910 3.096 20 0 IGADRO Cc1nc2c3ccccc3oc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164814500 720229661 /nfs/dbraw/zinc/22/96/61/720229661.db2.gz VWLCSIKLGVCULV-UHFFFAOYSA-N 1 0 432.528 3.492 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3nc1N1CCCC1)CCC2 ZINC001164812044 720233929 /nfs/dbraw/zinc/23/39/29/720233929.db2.gz AUYJIDMSLVBKRK-UHFFFAOYSA-N 1 0 447.587 3.037 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC001164823122 720298030 /nfs/dbraw/zinc/29/80/30/720298030.db2.gz OOWARUZILIFFNI-IRXDYDNUSA-N 1 0 442.938 3.200 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Oc2cccnc2Cl)CC1 ZINC001164825252 720305455 /nfs/dbraw/zinc/30/54/55/720305455.db2.gz SXFGFXIROCCSDB-HOTGVXAUSA-N 1 0 428.911 3.071 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccnc2C2SCCCS2)CC1 ZINC001164821924 720308667 /nfs/dbraw/zinc/30/86/67/720308667.db2.gz LZIQWXLWHIOEDL-MSOLQXFVSA-N 1 0 447.674 3.257 20 0 IGADRO CSc1nc2ccccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831369 720322682 /nfs/dbraw/zinc/32/26/82/720322682.db2.gz RNXSFDYYEFKQQK-VQTJNVASSA-N 1 0 425.602 3.263 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)c1C ZINC001164834235 720326407 /nfs/dbraw/zinc/32/64/07/720326407.db2.gz YUOXISXOYKLVFK-SJORKVTESA-N 1 0 441.954 3.203 20 0 IGADRO CCCN(CCC)c1cncc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824763 720329681 /nfs/dbraw/zinc/32/96/81/720329681.db2.gz DFQJYLSOFNUYAB-RTWAWAEBSA-N 1 0 428.625 3.015 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc3c(n2)-c2ccccc2CC3)CC1 ZINC001164831957 720331651 /nfs/dbraw/zinc/33/16/51/720331651.db2.gz SKIABYGKSNCLLQ-PKTZIBPZSA-N 1 0 431.584 3.154 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(Oc3cccc(F)c3)n2)CC1 ZINC001164823810 720332821 /nfs/dbraw/zinc/33/28/21/720332821.db2.gz BIQYFHYQVMKLQR-LEWJYISDSA-N 1 0 439.535 3.320 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccccc3nc2N2CCCC2)CC1 ZINC001164829506 720335939 /nfs/dbraw/zinc/33/59/39/720335939.db2.gz MWICOUSRQGNRQX-XZOQPEGZSA-N 1 0 448.615 3.142 20 0 IGADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827840 720342471 /nfs/dbraw/zinc/34/24/71/720342471.db2.gz MWKSIHNQZSIEPR-FCHUYYIVSA-N 1 0 435.572 3.064 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)s1 ZINC001164830610 720348472 /nfs/dbraw/zinc/34/84/72/720348472.db2.gz WDWPPHPSSADEJM-PMACEKPBSA-N 1 0 440.617 3.128 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(F)ccc3c(Cl)ncnc32)CC1 ZINC001164822229 720354348 /nfs/dbraw/zinc/35/43/48/720354348.db2.gz COLHDJMSGGUXDU-QZTJIDSGSA-N 1 0 431.943 3.334 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164840040 720505986 /nfs/dbraw/zinc/50/59/86/720505986.db2.gz WBRYESHDBNANHX-GUDVDZBRSA-N 1 0 431.968 3.486 20 0 IGADRO COc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC ZINC001164834880 720519786 /nfs/dbraw/zinc/51/97/86/720519786.db2.gz HUFMULYFRVXVLH-DBXWQHBBSA-N 1 0 436.560 3.221 20 0 IGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c12 ZINC001164735230 720524478 /nfs/dbraw/zinc/52/44/78/720524478.db2.gz WSJKWSBIMZGVCV-OAQYLSRUSA-N 1 0 429.572 3.491 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3COC4(C)C)CC[C@@H]21 ZINC001164836048 720525054 /nfs/dbraw/zinc/52/50/54/720525054.db2.gz LXLRUTYMMFFLGV-RYRKJORJSA-N 1 0 430.984 3.470 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)CC[C@@H]21 ZINC001164838465 720527984 /nfs/dbraw/zinc/52/79/84/720527984.db2.gz RHZJSMIPJOCKGX-FHWLQOOXSA-N 1 0 441.580 3.398 20 0 IGADRO c1ccc(OC[C@@H]2CCC[C@@]23CN(c2cccc(OCC[NH+]4CCCC4)n2)CCO3)nc1 ZINC001164734619 720540523 /nfs/dbraw/zinc/54/05/23/720540523.db2.gz JMGVQBJQSITIGE-SQJMNOBHSA-N 1 0 438.572 3.406 20 0 IGADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835056 720542706 /nfs/dbraw/zinc/54/27/06/720542706.db2.gz GVEYJVJLZVWRDJ-RZUBCFFCSA-N 1 0 448.571 3.381 20 0 IGADRO CSc1nc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2s1 ZINC001164835462 720572547 /nfs/dbraw/zinc/57/25/47/720572547.db2.gz HJNUQCGFQLUVCX-ARFHVFGLSA-N 1 0 429.619 3.383 20 0 IGADRO CSc1nc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2s1 ZINC001164835470 720573098 /nfs/dbraw/zinc/57/30/98/720573098.db2.gz HJNUQCGFQLUVCX-OWCLPIDISA-N 1 0 429.619 3.383 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)Oc3cnc(Cl)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842016 720648369 /nfs/dbraw/zinc/64/83/69/720648369.db2.gz RQBMZLWPDSKNMD-HRCADAONSA-N 1 0 426.899 3.129 20 0 IGADRO COC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838853 720662782 /nfs/dbraw/zinc/66/27/82/720662782.db2.gz IBPHISFFRHJUKA-KRWDZBQOSA-N 1 0 430.936 3.177 20 0 IGADRO COC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1OC ZINC001164843762 720667422 /nfs/dbraw/zinc/66/74/22/720667422.db2.gz XRCALEUBBRUJJD-LJQANCHMSA-N 1 0 425.529 3.137 20 0 IGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164838200 720718332 /nfs/dbraw/zinc/71/83/32/720718332.db2.gz HDXSGBDGHANWDI-QFIPXVFZSA-N 1 0 449.599 3.409 20 0 IGADRO COC(=O)c1nc(Cl)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842353 720720894 /nfs/dbraw/zinc/72/08/94/720720894.db2.gz YSIGMCWHMRTCMS-QGZVFWFLSA-N 1 0 430.936 3.177 20 0 IGADRO CCS(=O)(=O)c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164838937 720729058 /nfs/dbraw/zinc/72/90/58/720729058.db2.gz ZUMVXOFHYBEZFI-FQEVSTJZSA-N 1 0 429.586 3.135 20 0 IGADRO CCS(=O)(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164838939 720729221 /nfs/dbraw/zinc/72/92/21/720729221.db2.gz ZUMVXOFHYBEZFI-HXUWFJFHSA-N 1 0 429.586 3.135 20 0 IGADRO CSc1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164739934 720743711 /nfs/dbraw/zinc/74/37/11/720743711.db2.gz JYSCNELEJSTIRX-AEFFLSMTSA-N 1 0 436.541 3.123 20 0 IGADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752725 720812001 /nfs/dbraw/zinc/81/20/01/720812001.db2.gz ZQHSLASGCGLTPO-BFYDXBDKSA-N 1 0 440.901 3.390 20 0 IGADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cncc(OCc5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164737686 720817336 /nfs/dbraw/zinc/81/73/36/720817336.db2.gz BYPVYJHAGLBHBE-DNVJHFABSA-N 1 0 445.571 3.027 20 0 IGADRO CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164745144 720839171 /nfs/dbraw/zinc/83/91/71/720839171.db2.gz LPZCGPISDCCOBH-BHDDXSALSA-N 1 0 438.624 3.074 20 0 IGADRO Fc1cccc(Oc2cncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164743696 720839840 /nfs/dbraw/zinc/83/98/40/720839840.db2.gz JUCHSEASFJEGSJ-SYYKKAFVSA-N 1 0 449.534 3.379 20 0 IGADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740030 720842291 /nfs/dbraw/zinc/84/22/91/720842291.db2.gz BOZOGJFDQOISBE-HHXXYDBFSA-N 1 0 441.942 3.393 20 0 IGADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740032 720842531 /nfs/dbraw/zinc/84/25/31/720842531.db2.gz BOZOGJFDQOISBE-SZVBFZGTSA-N 1 0 441.942 3.393 20 0 IGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164747537 720842795 /nfs/dbraw/zinc/84/27/95/720842795.db2.gz REFRBANKHGUSLX-HHXXYDBFSA-N 1 0 440.983 3.145 20 0 IGADRO Fc1ccc(-c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164745922 720850040 /nfs/dbraw/zinc/85/00/40/720850040.db2.gz OEGRYXYCTUGYGG-UNWVZKJWSA-N 1 0 433.535 3.254 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@H]2C1 ZINC001164853726 720851443 /nfs/dbraw/zinc/85/14/43/720851443.db2.gz OTALPLACKPLMPD-KBXCAEBGSA-N 1 0 426.895 3.002 20 0 IGADRO Fc1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164752667 720852147 /nfs/dbraw/zinc/85/21/47/720852147.db2.gz UEGMMYHALFWWDG-DNVFCKCGSA-N 1 0 433.535 3.254 20 0 IGADRO 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COC(=O)CSc1cccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905616 721718962 /nfs/dbraw/zinc/71/89/62/721718962.db2.gz IBOJYQWTCBNTIS-OAQYLSRUSA-N 1 0 448.539 3.479 20 0 IGADRO C[C@@H]1CCc2c(sc3ncnc(N4CCCC45CC[NH+](CC(=O)N(C)C)CC5)c32)C1 ZINC001165011558 721737304 /nfs/dbraw/zinc/73/73/04/721737304.db2.gz QKPZWNVVLYSGBR-MRXNPFEDSA-N 1 0 427.618 3.339 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2ccn3Cc2ccccc2)CC1 ZINC001165011108 721739213 /nfs/dbraw/zinc/73/92/13/721739213.db2.gz LPQWJIKNOHXWAR-UHFFFAOYSA-N 1 0 432.572 3.003 20 0 IGADRO CCOC(=O)c1nnc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025951 721810074 /nfs/dbraw/zinc/81/00/74/721810074.db2.gz OLEGZMDCSFFREG-SZMVWBNQSA-N 1 0 429.952 3.439 20 0 IGADRO CCOC(=O)Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026512 721810165 /nfs/dbraw/zinc/81/01/65/721810165.db2.gz QXKJDEBNWDUNOH-UHOSZYNNSA-N 1 0 443.979 3.368 20 0 IGADRO COC(=O)CSc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022587 721820770 /nfs/dbraw/zinc/82/07/70/721820770.db2.gz FZESWOOTQVUSKG-SXLOBPIMSA-N 1 0 426.586 3.479 20 0 IGADRO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc2C1 ZINC001165026356 721831900 /nfs/dbraw/zinc/83/19/00/721831900.db2.gz PCRYBFLJMVTCFP-KFELQJHASA-N 1 0 449.599 3.277 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)nc1 ZINC001165030239 721851183 /nfs/dbraw/zinc/85/11/83/721851183.db2.gz SIBZTCCPDLZKCF-FQEVSTJZSA-N 1 0 440.592 3.148 20 0 IGADRO C[C@@H]1C(=O)NCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165035159 721883292 /nfs/dbraw/zinc/88/32/92/721883292.db2.gz CUFMCNCUQQUBJG-MRXNPFEDSA-N 1 0 426.948 3.081 20 0 IGADRO C(c1nc2sc3c(c2c(N2CC[NH+](C[C@@H]4CCCO4)CC2)n1)CCC3)N1CCCCC1 ZINC001165039601 721918494 /nfs/dbraw/zinc/91/84/94/721918494.db2.gz UEBVNSXPUNQHND-SFHVURJKSA-N 1 0 441.645 3.467 20 0 IGADRO Cc1nc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2[nH]1 ZINC001164941045 721924737 /nfs/dbraw/zinc/92/47/37/721924737.db2.gz ZQJGECJEXJNIBY-UHFFFAOYSA-N 1 0 426.952 3.495 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nnc(Cl)c5c4N(C)CCO5)CC3)C2)cc1 ZINC001164940181 721929482 /nfs/dbraw/zinc/92/94/82/721929482.db2.gz RGRQRSMWICHUQL-UHFFFAOYSA-N 1 0 443.979 3.138 20 0 IGADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCC(C[NH+](C)C)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165044708 721948035 /nfs/dbraw/zinc/94/80/35/721948035.db2.gz HNCCOUKRBUJUTG-IRXDYDNUSA-N 1 0 436.551 3.004 20 0 IGADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045530 721958423 /nfs/dbraw/zinc/95/84/23/721958423.db2.gz XBSNNRHREYGKPH-UHFFFAOYSA-N 1 0 433.556 3.217 20 0 IGADRO NC(=O)c1ccc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164954892 722012805 /nfs/dbraw/zinc/01/28/05/722012805.db2.gz QNAUNNYOJRTUCI-UHFFFAOYSA-N 1 0 435.906 3.266 20 0 IGADRO c1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c(N3CCOCC3)nc2c1 ZINC001164951573 722017004 /nfs/dbraw/zinc/01/70/04/722017004.db2.gz BBBWAPHIHVGIQY-UHFFFAOYSA-N 1 0 444.583 3.354 20 0 IGADRO Cc1noc(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164961831 722040972 /nfs/dbraw/zinc/04/09/72/722040972.db2.gz NJDOTSSNYSKFAS-GIWBLDEGSA-N 1 0 431.540 3.168 20 0 IGADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960447 722052452 /nfs/dbraw/zinc/05/24/52/722052452.db2.gz NSUJXDJYECWXHR-WAYWQWQTSA-N 1 0 436.556 3.172 20 0 IGADRO Cn1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963045 722054898 /nfs/dbraw/zinc/05/48/98/722054898.db2.gz GRIOEPYAYYMKSE-UHFFFAOYSA-N 1 0 426.952 3.136 20 0 IGADRO Fc1ncccc1-c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960028 722058280 /nfs/dbraw/zinc/05/82/80/722058280.db2.gz DFVZMZOPVOMFCW-UHFFFAOYSA-N 1 0 434.519 3.192 20 0 IGADRO C[C@H]1CCCN(c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)C1 ZINC001164963397 722060820 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YNDYVIPFEPJWCZ-FUHWJXTLSA-N 1 0 429.952 3.018 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971389 722109612 /nfs/dbraw/zinc/10/96/12/722109612.db2.gz BVJNXPHAVUOVEJ-RTBURBONSA-N 1 0 444.963 3.342 20 0 IGADRO Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983728 722124965 /nfs/dbraw/zinc/12/49/65/722124965.db2.gz ZIJYEQICOVAYQT-IRLDBZIGSA-N 1 0 442.007 3.453 20 0 IGADRO COc1cc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164974052 722127639 /nfs/dbraw/zinc/12/76/39/722127639.db2.gz IHKCNGJZYURZGF-YKSBVNFPSA-N 1 0 434.540 3.374 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)c1C ZINC001164981019 722128135 /nfs/dbraw/zinc/12/81/35/722128135.db2.gz SAZYRORUYQZEPN-ROUUACIJSA-N 1 0 437.922 3.414 20 0 IGADRO CC1CCN(C(=O)c2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)CC1 ZINC001164982789 722140775 /nfs/dbraw/zinc/14/07/75/722140775.db2.gz SPPHWSJJNZNIOF-UPVQGACJSA-N 1 0 449.599 3.076 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975237 722144530 /nfs/dbraw/zinc/14/45/30/722144530.db2.gz GDGHMLCIXPJPPQ-ZJSXRUAMSA-N 1 0 431.540 3.275 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3C2)c1 ZINC001164985500 722149340 /nfs/dbraw/zinc/14/93/40/722149340.db2.gz ZQZGBWZKPWXCFG-XUZZJYLKSA-N 1 0 442.567 3.150 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]32)cs1 ZINC001164992994 722185617 /nfs/dbraw/zinc/18/56/17/722185617.db2.gz YMUIUHIXOQGNQH-YADHBBJMSA-N 1 0 427.618 3.311 20 0 IGADRO CCOc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cc1 ZINC001165004954 722257059 /nfs/dbraw/zinc/25/70/59/722257059.db2.gz YNJVJQDMIKMXTO-UHFFFAOYSA-N 1 0 436.560 3.227 20 0 IGADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416454 718885758 /nfs/dbraw/zinc/88/57/58/718885758.db2.gz WWEGKXCBKDVLDG-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164423983 718945638 /nfs/dbraw/zinc/94/56/38/718945638.db2.gz LCHIMLSIVUAHFM-WOJBJXKFSA-N 1 0 447.608 3.088 20 0 IGADRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164423982 718946025 /nfs/dbraw/zinc/94/60/25/718946025.db2.gz LCHIMLSIVUAHFM-VQTJNVASSA-N 1 0 447.608 3.088 20 0 IGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)CC3)[C@H]2C)n1 ZINC001164428920 718952024 /nfs/dbraw/zinc/95/20/24/718952024.db2.gz MAFOKNXNXUUYJZ-HXUWFJFHSA-N 1 0 449.599 3.166 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164617899 719009234 /nfs/dbraw/zinc/00/92/34/719009234.db2.gz QLHAXXOQIGLYNB-CYFREDJKSA-N 1 0 447.023 3.480 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164617851 719010437 /nfs/dbraw/zinc/01/04/37/719010437.db2.gz QFFAXGBNFIMGDW-HNAYVOBHSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164617846 719010602 /nfs/dbraw/zinc/01/06/02/719010602.db2.gz QFFAXGBNFIMGDW-BEFAXECRSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614735 719017648 /nfs/dbraw/zinc/01/76/48/719017648.db2.gz GHNJHTRYPJAGAQ-FGTMMUONSA-N 1 0 443.617 3.024 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4cc3C(=O)OC)CC2)CC1 ZINC001164617554 719029291 /nfs/dbraw/zinc/02/92/91/719029291.db2.gz OIOQEVJPGRCDJL-UHFFFAOYSA-N 1 0 425.529 3.265 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC2)CC1 ZINC001164617629 719032140 /nfs/dbraw/zinc/03/21/40/719032140.db2.gz OFVOCMQINLFEIJ-UHFFFAOYSA-N 1 0 442.938 3.408 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4nc(C(C)C)no4)ccn3)CC2)CC1 ZINC001164617210 719033555 /nfs/dbraw/zinc/03/35/55/719033555.db2.gz JZMNUVIFJAXQOF-UHFFFAOYSA-N 1 0 427.549 3.499 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4nc(C5CC5)no4)ccn3)CC2)CC1 ZINC001164618530 719034170 /nfs/dbraw/zinc/03/41/70/719034170.db2.gz UKFMDAMLKVOKCN-UHFFFAOYSA-N 1 0 425.533 3.253 20 0 IGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)C1 ZINC001164626729 719098020 /nfs/dbraw/zinc/09/80/20/719098020.db2.gz IPGRLGIFEHEMHD-ZRBLBEILSA-N 1 0 449.599 3.357 20 0 IGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)C1 ZINC001164626725 719098458 /nfs/dbraw/zinc/09/84/58/719098458.db2.gz IPGRLGIFEHEMHD-YTFSRNRJSA-N 1 0 449.599 3.357 20 0 IGADRO Fc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164646279 719296703 /nfs/dbraw/zinc/29/67/03/719296703.db2.gz ACMAFIQQWAMJAW-LADGPHEKSA-N 1 0 426.536 3.102 20 0 IGADRO CN1CCc2nc(Cl)nc(N(c3cccc(F)c3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2C1 ZINC001164647195 719297226 /nfs/dbraw/zinc/29/72/26/719297226.db2.gz CTFXYHVTZJKCMN-VGOFRKELSA-N 1 0 431.943 3.306 20 0 IGADRO CC(C)C[NH+]1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000301065864 719337442 /nfs/dbraw/zinc/33/74/42/719337442.db2.gz ZDPJZAWVGJDBLU-UHFFFAOYSA-N 1 0 429.634 3.180 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)ncn3)CC2)c2ccccc21 ZINC001164680650 719653940 /nfs/dbraw/zinc/65/39/40/719653940.db2.gz GVJHFJQLWPWHBN-QGZVFWFLSA-N 1 0 427.980 3.223 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4cc[nH]c4n3)CC2)c2ccccc21 ZINC001164680210 719656285 /nfs/dbraw/zinc/65/62/85/719656285.db2.gz DGPILCGQFLNSHF-SFHVURJKSA-N 1 0 432.572 3.051 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(Cl)cc3N)CC2)c2ccccc21 ZINC001164680409 719676111 /nfs/dbraw/zinc/67/61/11/719676111.db2.gz DSBFDLKEHXZYBZ-QGZVFWFLSA-N 1 0 442.007 3.411 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4c(n3)CCCC4)CC2)c2ccccc21 ZINC001164683570 719680930 /nfs/dbraw/zinc/68/09/30/719680930.db2.gz GESDAJNKYDUKKT-NRFANRHFSA-N 1 0 447.627 3.449 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(Cc3ccccc3)c3ccccc31)CC2 ZINC001164690233 719735757 /nfs/dbraw/zinc/73/57/57/719735757.db2.gz WGQPXWLBALGUBA-UHFFFAOYSA-N 1 0 429.568 3.401 20 0 IGADRO COC(=O)CSc1cncc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692740 719814398 /nfs/dbraw/zinc/81/43/98/719814398.db2.gz RLNHPAXIVQNDGG-UHFFFAOYSA-N 1 0 433.603 3.142 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164814990 720108852 /nfs/dbraw/zinc/10/88/52/720108852.db2.gz VCAYXZNGYZXRJO-MGPUTAFESA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164810452 720128112 /nfs/dbraw/zinc/12/81/12/720128112.db2.gz JWIBJRCKIAUNIR-OXJNMPFZSA-N 1 0 443.922 3.251 20 0 IGADRO CCOC(=O)c1cc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2s1 ZINC001164810483 720143773 /nfs/dbraw/zinc/14/37/73/720143773.db2.gz JXEMKJYXBULKEY-KSFYIVLOSA-N 1 0 430.574 3.053 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164711897 720157878 /nfs/dbraw/zinc/15/78/78/720157878.db2.gz DJGIXCNKAMQLAE-PXNSSMCTSA-N 1 0 435.931 3.160 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164817154 720172725 /nfs/dbraw/zinc/17/27/25/720172725.db2.gz OGILFIGBAYVNKP-YWZLYKJASA-N 1 0 426.939 3.348 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccc(F)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717721 720174261 /nfs/dbraw/zinc/17/42/61/720174261.db2.gz LVJHNDZBMPOZEQ-FQEVSTJZSA-N 1 0 444.942 3.372 20 0 IGADRO Cn1nnc2c1CCN(c1nc3ccccc3cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717685 720176321 /nfs/dbraw/zinc/17/63/21/720176321.db2.gz LKEGTNQJVREIAK-HXUWFJFHSA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3c(Cl)cccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718833 720181106 /nfs/dbraw/zinc/18/11/06/720181106.db2.gz SELVNQJHVZRMRN-HXUWFJFHSA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1cc(F)cc3ccc(Cl)nc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717121 720182818 /nfs/dbraw/zinc/18/28/18/720182818.db2.gz KXIIQQXYDOMSLT-IBGZPJMESA-N 1 0 444.942 3.372 20 0 IGADRO Cc1c(Cl)cnc(Cl)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714567 720194130 /nfs/dbraw/zinc/19/41/30/720194130.db2.gz GRTYCTJNZHIQIU-MRXNPFEDSA-N 1 0 425.364 3.042 20 0 IGADRO Cc1cccc2c(Cl)nnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164813522 720221505 /nfs/dbraw/zinc/22/15/05/720221505.db2.gz NMLLBEGKUCMFGL-UHFFFAOYSA-N 1 0 426.952 3.399 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813949 720221756 /nfs/dbraw/zinc/22/17/56/720221756.db2.gz PSEOYFHLDZOTBV-UHFFFAOYSA-N 1 0 442.951 3.099 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)-c1ccccc1CC3)CCC2 ZINC001164813432 720233158 /nfs/dbraw/zinc/23/31/58/720233158.db2.gz ODPSKDNIVPKZTM-UHFFFAOYSA-N 1 0 430.556 3.049 20 0 IGADRO COc1cc2cnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)cc2cc1OC ZINC001164812950 720238546 /nfs/dbraw/zinc/23/85/46/720238546.db2.gz KYGNXVQUSCOSAM-UHFFFAOYSA-N 1 0 437.544 3.059 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCCCC3)CC1 ZINC001164820008 720315771 /nfs/dbraw/zinc/31/57/71/720315771.db2.gz GFLBREROMCSMBK-VQTJNVASSA-N 1 0 432.012 3.310 20 0 IGADRO COc1cc2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164827929 720325748 /nfs/dbraw/zinc/32/57/48/720325748.db2.gz JFPAFCULKDVZBZ-LEWJYISDSA-N 1 0 438.572 3.164 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(Oc3ccc(F)cc3)n2)CC1 ZINC001164829751 720343950 /nfs/dbraw/zinc/34/39/50/720343950.db2.gz UHXHSEWNUQPBNK-LEWJYISDSA-N 1 0 439.535 3.320 20 0 IGADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2cccs2)n1 ZINC001164821731 720344765 /nfs/dbraw/zinc/34/47/65/720344765.db2.gz BPBIFECAXYDQRK-MOPGFXCFSA-N 1 0 425.602 3.425 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164822240 720346408 /nfs/dbraw/zinc/34/64/08/720346408.db2.gz CQQIDPAIHVTKJD-FCHUYYIVSA-N 1 0 434.588 3.067 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)c3ccc(F)cc32)CC1 ZINC001164827962 720348278 /nfs/dbraw/zinc/34/82/78/720348278.db2.gz NHOXTZPVIUWSFR-RBUKOAKNSA-N 1 0 431.943 3.334 20 0 IGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723074 720382481 /nfs/dbraw/zinc/38/24/81/720382481.db2.gz GADLNRDQOYGAFF-CABCVRRESA-N 1 0 433.965 3.277 20 0 IGADRO COc1ccc(CN(C)c2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164728954 720469778 /nfs/dbraw/zinc/46/97/78/720469778.db2.gz QAHMQCXJLFPVDM-GOTSBHOMSA-N 1 0 430.556 3.370 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164840041 720505519 /nfs/dbraw/zinc/50/55/19/720505519.db2.gz WBRYESHDBNANHX-IPMKNSEASA-N 1 0 431.968 3.486 20 0 IGADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164842506 720646207 /nfs/dbraw/zinc/64/62/07/720646207.db2.gz RUDJCIMYSIEWSJ-LVCYWYKZSA-N 1 0 436.560 3.221 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(Cl)n1 ZINC001164843772 720647340 /nfs/dbraw/zinc/64/73/40/720647340.db2.gz YEQTVMCMWCRGGD-BZUAXINKSA-N 1 0 440.926 3.258 20 0 IGADRO c1sc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164744403 720656893 /nfs/dbraw/zinc/65/68/93/720656893.db2.gz ZTPVKGDOOIEJDO-ZWKOTPCHSA-N 1 0 430.537 3.490 20 0 IGADRO Cn1cnc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839861 720680850 /nfs/dbraw/zinc/68/08/50/720680850.db2.gz CDRZGORXNQYYRC-QGZVFWFLSA-N 1 0 426.952 3.277 20 0 IGADRO CNC(=O)c1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164843832 720699237 /nfs/dbraw/zinc/69/92/37/720699237.db2.gz RHDHCIAFRRDDOA-SFHVURJKSA-N 1 0 428.964 3.355 20 0 IGADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741554 720803055 /nfs/dbraw/zinc/80/30/55/720803055.db2.gz BKIQDPCCVLCVKQ-CABCVRRESA-N 1 0 442.882 3.193 20 0 IGADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164741420 720803233 /nfs/dbraw/zinc/80/32/33/720803233.db2.gz BHMANDRMPBQRKJ-FUHWJXTLSA-N 1 0 438.919 3.363 20 0 IGADRO Fc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164746265 720822327 /nfs/dbraw/zinc/82/23/27/720822327.db2.gz YSULPUPZRMLIMO-JTDSTZFVSA-N 1 0 441.942 3.393 20 0 IGADRO Fc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164741544 720825631 /nfs/dbraw/zinc/82/56/31/720825631.db2.gz NXGQRVOKWLMURO-QILLFSRXSA-N 1 0 440.901 3.390 20 0 IGADRO Fc1ccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164742675 720826092 /nfs/dbraw/zinc/82/60/92/720826092.db2.gz QKWRQZXFVNRMPG-UNWVZKJWSA-N 1 0 433.535 3.254 20 0 IGADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743554 720832788 /nfs/dbraw/zinc/83/27/88/720832788.db2.gz JBXDWQQNDOPPPL-BZUAXINKSA-N 1 0 444.996 3.019 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC[C@@H]2C1 ZINC001164852575 720836077 /nfs/dbraw/zinc/83/60/77/720836077.db2.gz KYQPOBLAJXJNIY-RHSMWYFYSA-N 1 0 426.895 3.002 20 0 IGADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751026 720839826 /nfs/dbraw/zinc/83/98/26/720839826.db2.gz XWMSDNJNFGFAMP-BHDDXSALSA-N 1 0 438.624 3.074 20 0 IGADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cnc(OCc5ccccc5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741256 720841168 /nfs/dbraw/zinc/84/11/68/720841168.db2.gz DWERNKSWSQKXSD-DNVJHFABSA-N 1 0 445.571 3.027 20 0 IGADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747427 720841670 /nfs/dbraw/zinc/84/16/70/720841670.db2.gz QMJZMEOCQYFPNN-CQOQZXRMSA-N 1 0 441.583 3.213 20 0 IGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747891 720850434 /nfs/dbraw/zinc/85/04/34/720850434.db2.gz RYDMKRMXJQYVAM-GBESFXJTSA-N 1 0 427.984 3.287 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164752682 720853016 /nfs/dbraw/zinc/85/30/16/720853016.db2.gz UGIGPAWMQOUFFJ-MQSCRBSSSA-N 1 0 444.587 3.126 20 0 IGADRO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)n1 ZINC001164751888 720853722 /nfs/dbraw/zinc/85/37/22/720853722.db2.gz RLOBLPGPLMYERA-PCCBWWKXSA-N 1 0 448.575 3.226 20 0 IGADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164746212 720861091 /nfs/dbraw/zinc/86/10/91/720861091.db2.gz GMFWGWGROLKNLM-HGHGUNKESA-N 1 0 446.534 3.221 20 0 IGADRO COc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752408 720870912 /nfs/dbraw/zinc/87/09/12/720870912.db2.gz MWQBXGQZIFJRSJ-XXBNENTESA-N 1 0 443.979 3.289 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)CC[C@@H]2C1 ZINC001164855353 720875027 /nfs/dbraw/zinc/87/50/27/720875027.db2.gz HASOPPJCEJJRGE-MIZPHKNDSA-N 1 0 439.604 3.182 20 0 IGADRO COc1cnnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757120 720888262 /nfs/dbraw/zinc/88/82/62/720888262.db2.gz SQDGKEGGOGBPQX-CVDCTZTESA-N 1 0 443.979 3.289 20 0 IGADRO COc1cnnc(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757121 720888461 /nfs/dbraw/zinc/88/84/61/720888461.db2.gz SQDGKEGGOGBPQX-WMZHIEFXSA-N 1 0 443.979 3.289 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C)cc3)CC[C@@H]2C1 ZINC001164853768 720888789 /nfs/dbraw/zinc/88/87/89/720888789.db2.gz CRINLIZFSYJSJJ-YLJYHZDGSA-N 1 0 432.952 3.404 20 0 IGADRO CC(=O)Nc1cccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756234 720889817 /nfs/dbraw/zinc/88/98/17/720889817.db2.gz ONMVXTNYKPAYKV-WIOPSUGQSA-N 1 0 435.572 3.190 20 0 IGADRO CC(C)Oc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752823 720913926 /nfs/dbraw/zinc/91/39/26/720913926.db2.gz OZKYYUCDCWJDRZ-WIOPSUGQSA-N 1 0 437.588 3.414 20 0 IGADRO CSc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755258 720922901 /nfs/dbraw/zinc/92/29/01/720922901.db2.gz ZZRIVSOUMQTPHB-NFBKMPQASA-N 1 0 425.602 3.349 20 0 IGADRO COc1nc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164750143 720930794 /nfs/dbraw/zinc/93/07/94/720930794.db2.gz JJTSCNMWIJHWQB-DHLKQENFSA-N 1 0 437.588 3.252 20 0 IGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccsc3c(N3CCOCC3)n1)[C@@H]2C ZINC001164861736 720934144 /nfs/dbraw/zinc/93/41/44/720934144.db2.gz TYKYJAHTPOPNPW-MRXNPFEDSA-N 1 0 441.605 3.146 20 0 IGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)[C@@H]2C ZINC001164859228 720935220 /nfs/dbraw/zinc/93/52/20/720935220.db2.gz LOJKTRGEADYQBV-CYBMUJFWSA-N 1 0 427.931 3.359 20 0 IGADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)ccc1-c1ccccc1)CC2 ZINC001164752374 720953692 /nfs/dbraw/zinc/95/36/92/720953692.db2.gz XEJRYLQYVCTAFO-UHFFFAOYSA-N 1 0 425.920 3.244 20 0 IGADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164749842 720961126 /nfs/dbraw/zinc/96/11/26/720961126.db2.gz HQPZGBZGNYIFDG-UHFFFAOYSA-N 1 0 449.889 3.275 20 0 IGADRO COC(=O)c1nc(Cl)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)n1 ZINC001164857321 721020657 /nfs/dbraw/zinc/02/06/57/721020657.db2.gz CUVKGUUBLSDWHN-NSHDSACASA-N 1 0 427.336 3.188 20 0 IGADRO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]2C1=O ZINC001164860265 721029930 /nfs/dbraw/zinc/02/99/30/721029930.db2.gz KOEFEDWHTQXQDV-XPWALMASSA-N 1 0 426.605 3.025 20 0 IGADRO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]2C1=O ZINC001164864575 721030499 /nfs/dbraw/zinc/03/04/99/721030499.db2.gz YCLVTGFVVHGLHY-ZLNRFVROSA-N 1 0 426.605 3.025 20 0 IGADRO O=C(NC1CCCCC1)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866219 721053314 /nfs/dbraw/zinc/05/33/14/721053314.db2.gz CVTOXZKWBMMVCV-VXKWHMMOSA-N 1 0 435.572 3.019 20 0 IGADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868021 721054377 /nfs/dbraw/zinc/05/43/77/721054377.db2.gz MBXXXJZPRYAICV-ZIAGYGMSSA-N 1 0 430.286 3.203 20 0 IGADRO Fc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2cc1F ZINC001164863766 721077609 /nfs/dbraw/zinc/07/76/09/721077609.db2.gz DEOVVUWGGFVFNR-GJZGRUSLSA-N 1 0 431.874 3.436 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1Cl ZINC001164768298 721098194 /nfs/dbraw/zinc/09/81/94/721098194.db2.gz MTIQFUPMFRMEKS-LSDHHAIUSA-N 1 0 438.359 3.257 20 0 IGADRO Clc1ccc(CN2CCCC2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864578 721100893 /nfs/dbraw/zinc/10/08/93/721100893.db2.gz GMYPNAKCMGYSFW-NHCUHLMSSA-N 1 0 427.980 3.206 20 0 IGADRO CCOC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864392 721111511 /nfs/dbraw/zinc/11/15/11/721111511.db2.gz FSXRFSCVOKHTKO-NHCUHLMSSA-N 1 0 432.524 3.286 20 0 IGADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880718 721122699 /nfs/dbraw/zinc/12/26/99/721122699.db2.gz XFLHOJYQPBHHGL-DHIUTWEWSA-N 1 0 430.556 3.084 20 0 IGADRO CC(C)(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164872051 721127761 /nfs/dbraw/zinc/12/77/61/721127761.db2.gz GEVUNCGEFFUETA-PMACEKPBSA-N 1 0 434.544 3.304 20 0 IGADRO COc1ccc(OC)c(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164880367 721164719 /nfs/dbraw/zinc/16/47/19/721164719.db2.gz WAKRWJQOCWOBTE-CTNGQTDRSA-N 1 0 447.539 3.036 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(C(=O)OCc5ccccc5)cn4)C[C@@H]3C2)cn1 ZINC001164762538 721211165 /nfs/dbraw/zinc/21/11/65/721211165.db2.gz CRYWEGVCCFVROO-PKTZIBPZSA-N 1 0 431.540 3.130 20 0 IGADRO COc1ccc(Cc2c(C)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2C)cc1 ZINC001164763896 721235154 /nfs/dbraw/zinc/23/51/54/721235154.db2.gz NXABHXSIDUSKEM-PKTZIBPZSA-N 1 0 446.599 3.385 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)nc1 ZINC001164763932 721257060 /nfs/dbraw/zinc/25/70/60/721257060.db2.gz OCNXPAXMQRKZLP-XBYSBRQOSA-N 1 0 438.572 3.237 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)nc1 ZINC001164873370 721304786 /nfs/dbraw/zinc/30/47/86/721304786.db2.gz BEQDIDBHBXVLSE-XQUALCHDSA-N 1 0 449.599 3.181 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cccc(F)c43)C2)C1 ZINC001164779796 721353136 /nfs/dbraw/zinc/35/31/36/721353136.db2.gz WRVQLWYUTTWBAV-QHCPKHFHSA-N 1 0 425.508 3.493 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ncc(F)cc4n3)C2)C1 ZINC001164784994 721362884 /nfs/dbraw/zinc/36/28/84/721362884.db2.gz RSPGQSHHJIDPQF-QHCPKHFHSA-N 1 0 425.508 3.493 20 0 IGADRO COc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886723 721379739 /nfs/dbraw/zinc/37/97/39/721379739.db2.gz FYMXULOJAPPOCB-FDDCHVKYSA-N 1 0 445.995 3.057 20 0 IGADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc(Cl)n1 ZINC001164894061 721384258 /nfs/dbraw/zinc/38/42/58/721384258.db2.gz XBBOZBIIUKMSAS-UYAOXDASSA-N 1 0 428.955 3.354 20 0 IGADRO CSc1nc2sccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888062 721387853 /nfs/dbraw/zinc/38/78/53/721387853.db2.gz JFFCYHSGOZOQPC-HRAATJIYSA-N 1 0 433.647 3.179 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164885773 721408702 /nfs/dbraw/zinc/40/87/02/721408702.db2.gz HHWZJEGVLBSIPI-OXJNMPFZSA-N 1 0 444.954 3.054 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164885771 721408917 /nfs/dbraw/zinc/40/89/17/721408917.db2.gz HHWZJEGVLBSIPI-JXFKEZNVSA-N 1 0 444.954 3.054 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4F)C3)O2)CC1 ZINC001164886672 721410585 /nfs/dbraw/zinc/41/05/85/721410585.db2.gz KSMBAAUTEZJEGP-DNVCBOLYSA-N 1 0 432.918 3.184 20 0 IGADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890506 721412938 /nfs/dbraw/zinc/41/29/38/721412938.db2.gz SWLLTMZZFOVORN-AUSIDOKSSA-N 1 0 429.996 3.357 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)c1C ZINC001164883889 721421524 /nfs/dbraw/zinc/42/15/24/721421524.db2.gz CKGCDUDYJCLBDA-FXAWDEMLSA-N 1 0 443.970 3.057 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(F)cc5)nn4)C3)O2)CC1 ZINC001164896069 721438813 /nfs/dbraw/zinc/43/88/13/721438813.db2.gz QKCLAVVXOXNOAG-QPPBQGQZSA-N 1 0 425.552 3.048 20 0 IGADRO CCc1nc(Cl)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164895842 721439520 /nfs/dbraw/zinc/43/95/20/721439520.db2.gz QGWUWAWCVLDCFH-QRWLVFNGSA-N 1 0 428.408 3.111 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(C(F)F)nc5ccccc54)C3)O2)CC1 ZINC001164893015 721439824 /nfs/dbraw/zinc/43/98/24/721439824.db2.gz IQSBURAHFNOYAS-HXOBKFHXSA-N 1 0 431.531 3.333 20 0 IGADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccsc2)n1 ZINC001164899492 721440525 /nfs/dbraw/zinc/44/05/25/721440525.db2.gz YRDRFQLUBSGTQM-NFBKMPQASA-N 1 0 427.618 3.279 20 0 IGADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896178 721446185 /nfs/dbraw/zinc/44/61/85/721446185.db2.gz QTXBWZYEIQAMNG-CVDCTZTESA-N 1 0 436.044 3.402 20 0 IGADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891330 721446933 /nfs/dbraw/zinc/44/69/33/721446933.db2.gz UILCLGJUKAKKHB-NLFFAJNJSA-N 1 0 439.579 3.357 20 0 IGADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886567 721447047 /nfs/dbraw/zinc/44/70/47/721447047.db2.gz HHHVJGYZQMRJSG-RCZVLFRGSA-N 1 0 439.579 3.357 20 0 IGADRO CSc1ccc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886528 721447079 /nfs/dbraw/zinc/44/70/79/721447079.db2.gz GYJSWKWUEBLNJP-WZONZLPQSA-N 1 0 427.618 3.117 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164785948 721453501 /nfs/dbraw/zinc/45/35/01/721453501.db2.gz JXRYRPLTZBPZKD-GOSISDBHSA-N 1 0 445.995 3.412 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164790559 721454377 /nfs/dbraw/zinc/45/43/77/721454377.db2.gz ZENWMENNDCLGFG-SFHVURJKSA-N 1 0 445.995 3.412 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164786378 721455862 /nfs/dbraw/zinc/45/58/62/721455862.db2.gz MGUPSTPMIHOPPP-SFHVURJKSA-N 1 0 448.011 3.356 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C)nc(Cl)nc1OC)CC2 ZINC001164784477 721459855 /nfs/dbraw/zinc/45/98/55/721459855.db2.gz IISSZCQWQPLFIL-GOSISDBHSA-N 1 0 439.000 3.181 20 0 IGADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164793373 721491860 /nfs/dbraw/zinc/49/18/60/721491860.db2.gz QXLMSHAIDQCKHX-UHFFFAOYSA-N 1 0 434.544 3.411 20 0 IGADRO COC(OC)c1c(CO)ccnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795017 721498550 /nfs/dbraw/zinc/49/85/50/721498550.db2.gz ANJVVUAJZWRRTF-UHFFFAOYSA-N 1 0 426.561 3.141 20 0 IGADRO COC(=O)c1ccc2c(ccnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164806648 721547900 /nfs/dbraw/zinc/54/79/00/721547900.db2.gz PPKMAKVOXOOVRH-XPWALMASSA-N 1 0 432.524 3.285 20 0 IGADRO COC(=O)c1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ccc2c1 ZINC001164804589 721548417 /nfs/dbraw/zinc/54/84/17/721548417.db2.gz KOPFAIJVRONYSN-GPXNEJASSA-N 1 0 432.524 3.285 20 0 IGADRO CN(C)c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164904243 721564819 /nfs/dbraw/zinc/56/48/19/721564819.db2.gz DOCVIWQNWDUYHD-HOCLYGCPSA-N 1 0 441.885 3.222 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C ZINC001164802573 721585065 /nfs/dbraw/zinc/58/50/65/721585065.db2.gz GMKVJAPKSYFLDR-XPWALMASSA-N 1 0 430.556 3.419 20 0 IGADRO Cc1nc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164907403 721696418 /nfs/dbraw/zinc/69/64/18/721696418.db2.gz SGMWBYIRQKXUHH-IBGZPJMESA-N 1 0 433.894 3.447 20 0 IGADRO COCCn1ccc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906011 721708846 /nfs/dbraw/zinc/70/88/46/721708846.db2.gz JFRUKHUOZCCXTL-QFIPXVFZSA-N 1 0 442.514 3.210 20 0 IGADRO O=C1NCc2c1cc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906081 721712329 /nfs/dbraw/zinc/71/23/29/721712329.db2.gz JSCUMFOCLKCQQW-FQEVSTJZSA-N 1 0 433.890 3.111 20 0 IGADRO F[C@@H](Oc1ccc(Cl)nn1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910509 721738859 /nfs/dbraw/zinc/73/88/59/721738859.db2.gz FPPFHZZBKICEPP-MSOLQXFVSA-N 1 0 427.858 3.390 20 0 IGADRO Cc1ccc(-c2nc3c(ncnc3N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)o2)cc1 ZINC001165009372 721745819 /nfs/dbraw/zinc/74/58/19/721745819.db2.gz BSTOQKMLBZYCDS-UHFFFAOYSA-N 1 0 434.544 3.116 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165025675 721788143 /nfs/dbraw/zinc/78/81/43/721788143.db2.gz WGSSCQZWAVIDCV-WIOPSUGQSA-N 1 0 444.620 3.109 20 0 IGADRO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2cccc(OCC[NH+]3CCCC3)n2)n1 ZINC001164918957 721810821 /nfs/dbraw/zinc/81/08/21/721810821.db2.gz VIWVLFIUCKBLJB-SELNLUPBSA-N 1 0 444.601 3.213 20 0 IGADRO COC(=O)c1cc2c(OC)[nH]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc-2n1 ZINC001165027087 721811208 /nfs/dbraw/zinc/81/12/08/721811208.db2.gz SARAZBPAYUIDJS-XWFZLUIHSA-N 1 0 449.555 3.490 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)C[C@@H]21 ZINC001165023126 721827014 /nfs/dbraw/zinc/82/70/14/721827014.db2.gz HSJDWKKMXIHFMT-RZFNWQHOSA-N 1 0 434.588 3.281 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C[C@@H]21 ZINC001165025204 721831416 /nfs/dbraw/zinc/83/14/16/721831416.db2.gz MFPKKAZHAASVBV-BTHPGYMESA-N 1 0 443.979 3.430 20 0 IGADRO c1cnn(Cc2ncn3c2CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CCC3)c1 ZINC001164937547 721915245 /nfs/dbraw/zinc/91/52/45/721915245.db2.gz OLBJHDYFQFSJIS-UHFFFAOYSA-N 1 0 439.567 3.492 20 0 IGADRO COCCn1ccc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940916 721927220 /nfs/dbraw/zinc/92/72/20/721927220.db2.gz WNCVEGWSTZRBQO-UHFFFAOYSA-N 1 0 435.572 3.258 20 0 IGADRO COCCOC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164945267 721933230 /nfs/dbraw/zinc/93/32/30/721933230.db2.gz VLCRVBNDEHNJNK-UHFFFAOYSA-N 1 0 439.556 3.065 20 0 IGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC(C[NH+](C)C)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165044701 721948080 /nfs/dbraw/zinc/94/80/80/721948080.db2.gz HNCCOUKRBUJUTG-DLBZAZTESA-N 1 0 436.551 3.004 20 0 IGADRO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952753 722012575 /nfs/dbraw/zinc/01/25/75/722012575.db2.gz BBSJEGQPSQPSDE-UHFFFAOYSA-N 1 0 427.574 3.263 20 0 IGADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955493 722022343 /nfs/dbraw/zinc/02/23/43/722022343.db2.gz JIPXIOZVFYOCNJ-UHFFFAOYSA-N 1 0 433.894 3.390 20 0 IGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164963972 722025071 /nfs/dbraw/zinc/02/50/71/722025071.db2.gz UWMCRXCXUUOUEB-UHFFFAOYSA-N 1 0 428.968 3.157 20 0 IGADRO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961953 722052768 /nfs/dbraw/zinc/05/27/68/722052768.db2.gz ZRQQHSCYAHJKJI-UHFFFAOYSA-N 1 0 430.936 3.036 20 0 IGADRO Fc1cccc(-c2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)c1 ZINC001164960741 722060205 /nfs/dbraw/zinc/06/02/05/722060205.db2.gz KGTFETUJWYCACI-UHFFFAOYSA-N 1 0 434.519 3.192 20 0 IGADRO Cc1nc(-c2ccncc2)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962516 722060516 /nfs/dbraw/zinc/06/05/16/722060516.db2.gz SXWOUEPWFFWBON-UHFFFAOYSA-N 1 0 430.556 3.361 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982847 722099458 /nfs/dbraw/zinc/09/94/58/722099458.db2.gz PJVARSORUXQIKZ-PKOBYXMFSA-N 1 0 430.936 3.034 20 0 IGADRO O=C(Nc1ccccc1)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979780 722120154 /nfs/dbraw/zinc/12/01/54/722120154.db2.gz PYAGGKIQONQCRN-ISKFKSNPSA-N 1 0 443.551 3.456 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164972439 722123136 /nfs/dbraw/zinc/12/31/36/722123136.db2.gz FJQPCRMFCWBHHD-FXAWDEMLSA-N 1 0 439.947 3.414 20 0 IGADRO COC(=O)c1ccc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164984601 722136992 /nfs/dbraw/zinc/13/69/92/722136992.db2.gz XNLBGVYARAMAHL-GMAHTHKFSA-N 1 0 432.524 3.144 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164980883 722144866 /nfs/dbraw/zinc/14/48/66/722144866.db2.gz NHPJZEXDYSHTPV-GBXCKJPGSA-N 1 0 431.540 3.275 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164987855 722173112 /nfs/dbraw/zinc/17/31/12/722173112.db2.gz OZRSTGCGYAMDNT-FGZHOGPDSA-N 1 0 448.571 3.169 20 0 IGADRO COC(=O)c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C(=O)OC ZINC001164993990 722193511 /nfs/dbraw/zinc/19/35/11/722193511.db2.gz KIOYXBMHIGFYNK-QHCPKHFHSA-N 1 0 427.476 3.039 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CCC2 ZINC001165001641 722255480 /nfs/dbraw/zinc/25/54/80/722255480.db2.gz DUHPSMZYZADNFV-UHFFFAOYSA-N 1 0 449.333 3.099 20 0 IGADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164414978 718885630 /nfs/dbraw/zinc/88/56/30/718885630.db2.gz CDTAKURYYUURHP-UHFFFAOYSA-N 1 0 437.907 3.094 20 0 IGADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416017 718885716 /nfs/dbraw/zinc/88/57/16/718885716.db2.gz QJRQAYCUAGBDDI-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO O=C(c1cccnc1N1CCCC[C@@H]1C1CC[NH2+]CC1)N1CCN(Cc2ccccc2)CC1 ZINC001164419990 718892507 /nfs/dbraw/zinc/89/25/07/718892507.db2.gz SRGOVMHJGDOZHK-RUZDIDTESA-N 1 0 447.627 3.398 20 0 IGADRO O=C(c1cccnc1N1CCCCC12CC[NH2+]CC2)N1CCN(Cc2ccccc2)CC1 ZINC001164420785 718910813 /nfs/dbraw/zinc/91/08/13/718910813.db2.gz NEIACWMQYBYVCL-UHFFFAOYSA-N 1 0 433.600 3.152 20 0 IGADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164421861 718913545 /nfs/dbraw/zinc/91/35/45/718913545.db2.gz VDHNGUJBNRECAL-QGZVFWFLSA-N 1 0 433.286 3.067 20 0 IGADRO Fc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164423205 718919138 /nfs/dbraw/zinc/91/91/38/718919138.db2.gz FQQIHOJPHOXPJU-LJQANCHMSA-N 1 0 442.869 3.066 20 0 IGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)[C@@H]2C)n1 ZINC001164430746 718951331 /nfs/dbraw/zinc/95/13/31/718951331.db2.gz XNPITOUDUWQLCY-NRFANRHFSA-N 1 0 449.599 3.167 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164617550 719018573 /nfs/dbraw/zinc/01/85/73/719018573.db2.gz ONPAOXTYZLPUEA-DDTOSNHZSA-N 1 0 428.892 3.133 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)COc3cccc(Cl)n3)CC2)CC1 ZINC001164616333 719028835 /nfs/dbraw/zinc/02/88/35/719028835.db2.gz AWAMOZCGPBTYRI-UHFFFAOYSA-N 1 0 431.911 3.446 20 0 IGADRO O=C(c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCOCC1 ZINC001164629592 719099235 /nfs/dbraw/zinc/09/92/35/719099235.db2.gz STZUSANDUXOYBE-SIKLNZKXSA-N 1 0 440.975 3.308 20 0 IGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](CC(C)C)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164657555 719335992 /nfs/dbraw/zinc/33/59/92/719335992.db2.gz RKUKGDWFBLPGDS-DLBZAZTESA-N 1 0 436.551 3.004 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)c2c1CC[NH2+]C2 ZINC001164679497 719637223 /nfs/dbraw/zinc/63/72/23/719637223.db2.gz CXLNMILGFZUIAV-UHFFFAOYSA-N 1 0 447.921 3.472 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)c2c1CC[NH2+]C2 ZINC001164679632 719646634 /nfs/dbraw/zinc/64/66/34/719646634.db2.gz JDVLHQXEIWYZGR-UHFFFAOYSA-N 1 0 437.882 3.065 20 0 IGADRO Cn1ccc2c1ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683348 719660542 /nfs/dbraw/zinc/66/05/42/719660542.db2.gz VCMXDDBHEQQRGM-IBGZPJMESA-N 1 0 446.599 3.062 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(Cl)[n+]3[O-])CC2)c2ccccc21 ZINC001164679920 719664984 /nfs/dbraw/zinc/66/49/84/719664984.db2.gz ACRRLGJJPJVGCG-SFHVURJKSA-N 1 0 442.991 3.067 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c3CCCC4)CC2)c2ccccc21 ZINC001164684329 719665694 /nfs/dbraw/zinc/66/56/94/719665694.db2.gz SZUUSXVQLXQLBR-FQEVSTJZSA-N 1 0 447.627 3.449 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c3CCCC4)CC2)c2ccccc21 ZINC001164684341 719666216 /nfs/dbraw/zinc/66/62/16/719666216.db2.gz SZUUSXVQLXQLBR-HXUWFJFHSA-N 1 0 447.627 3.449 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cl)c[n+]3[O-])CC2)c2ccccc21 ZINC001164681492 719676827 /nfs/dbraw/zinc/67/68/27/719676827.db2.gz LXWJWBXPASBTPS-GOSISDBHSA-N 1 0 442.991 3.067 20 0 IGADRO O=C(NC1CCCC1)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164707491 719901557 /nfs/dbraw/zinc/90/15/57/719901557.db2.gz RLLQZOFJADMILK-UHFFFAOYSA-N 1 0 441.601 3.082 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 ZINC001164804531 720051723 /nfs/dbraw/zinc/05/17/23/720051723.db2.gz LLXHHQOMDYWQAK-WMTXJRDZSA-N 1 0 425.577 3.280 20 0 IGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2c1C ZINC001164806435 720069281 /nfs/dbraw/zinc/06/92/81/720069281.db2.gz CSUPREQOMKIWHF-SBUREZEXSA-N 1 0 444.601 3.361 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001164808453 720079144 /nfs/dbraw/zinc/07/91/44/720079144.db2.gz HKSJWVIZDICBAU-ATIYNZHBSA-N 1 0 434.584 3.196 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164813074 720091573 /nfs/dbraw/zinc/09/15/73/720091573.db2.gz SDKYRFXAKYIHJY-MGPUTAFESA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164711514 720098441 /nfs/dbraw/zinc/09/84/41/720098441.db2.gz QGRNHTSTNIBKAO-LJQANCHMSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)C2 ZINC001164813866 720120794 /nfs/dbraw/zinc/12/07/94/720120794.db2.gz RJANTIGZXCVRJH-MWTRTKDXSA-N 1 0 446.979 3.485 20 0 IGADRO CCOc1c(Cl)ncnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716880 720121182 /nfs/dbraw/zinc/12/11/82/720121182.db2.gz LEAIKSVBTGZANF-SFHVURJKSA-N 1 0 431.968 3.431 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ncn(C(C)C)c3n1)CC2 ZINC001164713944 720143230 /nfs/dbraw/zinc/14/32/30/720143230.db2.gz UGWXVNTUCPXVLQ-FQEVSTJZSA-N 1 0 435.576 3.310 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164818009 720153129 /nfs/dbraw/zinc/15/31/29/720153129.db2.gz REPNNYZTXQZADO-OXJNMPFZSA-N 1 0 437.922 3.408 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)C2 ZINC001164817886 720157958 /nfs/dbraw/zinc/15/79/58/720157958.db2.gz QQYPQMRSSNGWGR-FBLLAGFSSA-N 1 0 427.589 3.323 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164712933 720165269 /nfs/dbraw/zinc/16/52/69/720165269.db2.gz IPSHIUHSBLSCFN-FQEVSTJZSA-N 1 0 426.952 3.233 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)C2 ZINC001164818401 720188460 /nfs/dbraw/zinc/18/84/60/720188460.db2.gz SLYXDXDXLZWPRP-SQJMNOBHSA-N 1 0 435.572 3.222 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ccn3C1CCCC1)CCC2 ZINC001164814735 720225830 /nfs/dbraw/zinc/22/58/30/720225830.db2.gz XHTFBJNHNKIWGS-UHFFFAOYSA-N 1 0 435.576 3.354 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(OCc3ccccc3)n1)CCC2 ZINC001164812340 720230771 /nfs/dbraw/zinc/23/07/71/720230771.db2.gz FXDDJRLNDLMMPE-UHFFFAOYSA-N 1 0 433.556 3.468 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3c(F)cccc3F)nn1)CCC2 ZINC001164811869 720239880 /nfs/dbraw/zinc/23/98/80/720239880.db2.gz AGUGQNIEMTVONR-UHFFFAOYSA-N 1 0 440.498 3.229 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001164818953 720296990 /nfs/dbraw/zinc/29/69/90/720296990.db2.gz BZYBUXVDWXJMTA-KGLIPLIRSA-N 1 0 448.345 3.240 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC001164823119 720298367 /nfs/dbraw/zinc/29/83/67/720298367.db2.gz OOWARUZILIFFNI-DLBZAZTESA-N 1 0 442.938 3.200 20 0 IGADRO COc1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164826721 720313000 /nfs/dbraw/zinc/31/30/00/720313000.db2.gz WISLXGWFFITLNR-PMACEKPBSA-N 1 0 443.979 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c(F)cccc32)CC1 ZINC001164822610 720314444 /nfs/dbraw/zinc/31/44/44/720314444.db2.gz NMAZHZAIQHJEAL-QZTJIDSGSA-N 1 0 431.943 3.334 20 0 IGADRO CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164833378 720328850 /nfs/dbraw/zinc/32/88/50/720328850.db2.gz WKKRDPFHKXSXAR-LEWJYISDSA-N 1 0 428.625 3.015 20 0 IGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164721739 720331361 /nfs/dbraw/zinc/33/13/61/720331361.db2.gz DGRDENDXLMIEGJ-MOPGFXCFSA-N 1 0 442.523 3.307 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccccc3nc2N2CCCC2)CC1 ZINC001164829503 720336462 /nfs/dbraw/zinc/33/64/62/720336462.db2.gz MWICOUSRQGNRQX-DHIUTWEWSA-N 1 0 448.615 3.142 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCC3 ZINC001164830250 720337379 /nfs/dbraw/zinc/33/73/79/720337379.db2.gz VPSMJGCGNQKMJA-RBUKOAKNSA-N 1 0 439.629 3.400 20 0 IGADRO CCc1nc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827433 720343162 /nfs/dbraw/zinc/34/31/62/720343162.db2.gz LKFZVQRLCXELFM-CABCVRRESA-N 1 0 426.392 3.257 20 0 IGADRO CCOc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164827375 720345401 /nfs/dbraw/zinc/34/54/01/720345401.db2.gz LFFOKWXASXFBNR-RPWUZVMVSA-N 1 0 449.599 3.454 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(F)ccc3c(Cl)ncnc32)CC1 ZINC001164822231 720354696 /nfs/dbraw/zinc/35/46/96/720354696.db2.gz COLHDJMSGGUXDU-ROUUACIJSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(F)ccc3c(Cl)ncnc32)CC1 ZINC001164822232 720354814 /nfs/dbraw/zinc/35/48/14/720354814.db2.gz COLHDJMSGGUXDU-ZWKOTPCHSA-N 1 0 431.943 3.334 20 0 IGADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721663 720379967 /nfs/dbraw/zinc/37/99/67/720379967.db2.gz AIGLEGLJFDEPIA-SQNIBIBYSA-N 1 0 439.951 3.427 20 0 IGADRO COc1ccc(Oc2nc(Cl)ncc2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC001164736235 720533961 /nfs/dbraw/zinc/53/39/61/720533961.db2.gz WGJPMHOVLWYUIC-HNNXBMFYSA-N 1 0 428.924 3.325 20 0 IGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835024 720544129 /nfs/dbraw/zinc/54/41/29/720544129.db2.gz GTJGMRKEALXJJU-QKNQBKEWSA-N 1 0 438.576 3.105 20 0 IGADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164734278 720546087 /nfs/dbraw/zinc/54/60/87/720546087.db2.gz HSTUFPJLLOATGD-ORAYPTAESA-N 1 0 436.906 3.451 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164836640 720602873 /nfs/dbraw/zinc/60/28/73/720602873.db2.gz GAPJYQGVTRLKES-ULQDDVLXSA-N 1 0 440.926 3.172 20 0 IGADRO COC(=O)CSc1cncc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839014 720717883 /nfs/dbraw/zinc/71/78/83/720717883.db2.gz KHCGIGLHIVWIEJ-IBGZPJMESA-N 1 0 442.585 3.002 20 0 IGADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837435 720738798 /nfs/dbraw/zinc/73/87/98/720738798.db2.gz JMLTYPCYYPCYAD-UHFFFAOYSA-N 1 0 439.894 3.315 20 0 IGADRO FC(F)(c1ccc(Cl)nn1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843466 720741582 /nfs/dbraw/zinc/74/15/82/720741582.db2.gz KSHVTBJOIKGNFP-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO Clc1cc(OCc2ccccc2)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745920 720745193 /nfs/dbraw/zinc/74/51/93/720745193.db2.gz WUXBJTIDIJOOIU-AZUAARDMSA-N 1 0 437.931 3.446 20 0 IGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740443 720760951 /nfs/dbraw/zinc/76/09/51/720760951.db2.gz LERCUOKJVHZKBG-AABGKKOBSA-N 1 0 445.571 3.141 20 0 IGADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737522 720780056 /nfs/dbraw/zinc/78/00/56/720780056.db2.gz CDLADTVAJNBBFO-CVEARBPZSA-N 1 0 426.883 3.068 20 0 IGADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2sccc21 ZINC001164737713 720818460 /nfs/dbraw/zinc/81/84/60/720818460.db2.gz CFHDUENENYXPNN-ZMSDIMECSA-N 1 0 429.981 3.316 20 0 IGADRO c1ncn(C[C@H]2C[C@H]3CN(c4nccc(Oc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745053 720819369 /nfs/dbraw/zinc/81/93/69/720819369.db2.gz VZLLTZYJMNJOAJ-TUNNFDKTSA-N 1 0 431.544 3.240 20 0 IGADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164743836 720827681 /nfs/dbraw/zinc/82/76/81/720827681.db2.gz SSIJZNLBVPEPNB-PWRODBHTSA-N 1 0 438.576 3.008 20 0 IGADRO CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164743834 720828072 /nfs/dbraw/zinc/82/80/72/720828072.db2.gz SSIJZNLBVPEPNB-PCCBWWKXSA-N 1 0 438.576 3.008 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164739954 720847618 /nfs/dbraw/zinc/84/76/18/720847618.db2.gz BDAOGOJTTQTVHH-AWRGLXIESA-N 1 0 445.571 3.123 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164745202 720847930 /nfs/dbraw/zinc/84/79/30/720847930.db2.gz MRCPYIBNQVUGKT-MIZPHKNDSA-N 1 0 445.571 3.123 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164748779 720850201 /nfs/dbraw/zinc/85/02/01/720850201.db2.gz UXHSSUIANOWOFH-MIZPHKNDSA-N 1 0 445.571 3.123 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164750329 720850385 /nfs/dbraw/zinc/85/03/85/720850385.db2.gz XGVDMKIUFPIZFA-PQNGQFLHSA-N 1 0 445.571 3.123 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164745536 720852637 /nfs/dbraw/zinc/85/26/37/720852637.db2.gz DXDOJETWNPHVQX-RJGXRXQPSA-N 1 0 444.587 3.126 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164745540 720852946 /nfs/dbraw/zinc/85/29/46/720852946.db2.gz DXDOJETWNPHVQX-YTFSRNRJSA-N 1 0 444.587 3.126 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Oc4ccc(SC)cc4)ncn3)CC[C@H]2C1 ZINC001164862127 720868998 /nfs/dbraw/zinc/86/89/98/720868998.db2.gz ZCVUTNMAZBQOOS-PXNSSMCTSA-N 1 0 430.574 3.164 20 0 IGADRO COC(=O)c1cccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754944 720871604 /nfs/dbraw/zinc/87/16/04/720871604.db2.gz UUIHVQWOKHYISX-SQJMNOBHSA-N 1 0 436.556 3.018 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3c(C)c(C)n4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858357 720875601 /nfs/dbraw/zinc/87/56/01/720875601.db2.gz KSIDLUKERCBJIO-PKTZIBPZSA-N 1 0 449.599 3.270 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4sc5c(c43)CCCCC5)CC[C@H]2C1 ZINC001164862310 720877366 /nfs/dbraw/zinc/87/73/66/720877366.db2.gz ROTDFWSXAZBTLV-HKUYNNGSSA-N 1 0 430.618 3.442 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(OCc5ccccc5)ccc43)CC[C@@H]2C1 ZINC001164863801 720888214 /nfs/dbraw/zinc/88/82/14/720888214.db2.gz UICRVPMMCTZADK-PXDATVDWSA-N 1 0 448.567 3.382 20 0 IGADRO COCOc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753869 720892122 /nfs/dbraw/zinc/89/21/22/720892122.db2.gz HJWNDWZHPUIRDZ-RCZVLFRGSA-N 1 0 438.572 3.214 20 0 IGADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4cccnc4n2)C3)c1 ZINC001164755968 720892371 /nfs/dbraw/zinc/89/23/71/720892371.db2.gz NVADXEXWOBEBHG-RCZVLFRGSA-N 1 0 430.556 3.175 20 0 IGADRO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(OCC4CC4)ncn2)C3)c1 ZINC001164755713 720895450 /nfs/dbraw/zinc/89/54/50/720895450.db2.gz NBVWHMPNUFYNCC-OZXSUGGESA-N 1 0 449.599 3.416 20 0 IGADRO CSc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164747247 720910575 /nfs/dbraw/zinc/91/05/75/720910575.db2.gz CJAAAACJEXWTPI-NFBKMPQASA-N 1 0 425.602 3.349 20 0 IGADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3ccccc3)cc(Cl)n1)CC2 ZINC001164752255 720954436 /nfs/dbraw/zinc/95/44/36/720954436.db2.gz UVGUMVOHXWVLTK-UHFFFAOYSA-N 1 0 425.920 3.244 20 0 IGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1 ZINC001164856316 721006482 /nfs/dbraw/zinc/00/64/82/721006482.db2.gz BIQKWQUUDIFVEL-KRWDZBQOSA-N 1 0 448.637 3.166 20 0 IGADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868650 721064985 /nfs/dbraw/zinc/06/49/85/721064985.db2.gz OZXIMYBUEUIGFD-UONOGXRCSA-N 1 0 430.286 3.203 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871539 721070778 /nfs/dbraw/zinc/07/07/78/721070778.db2.gz ZNWRAUKWXMVPPL-MSOLQXFVSA-N 1 0 430.936 3.095 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871475 721072111 /nfs/dbraw/zinc/07/21/11/721072111.db2.gz YYZSWKMLQMFWGW-QZTJIDSGSA-N 1 0 430.936 3.095 20 0 IGADRO O=C(Nc1ccccc1)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865027 721093125 /nfs/dbraw/zinc/09/31/25/721093125.db2.gz IBYCSXMKJWDQMV-DHIUTWEWSA-N 1 0 429.524 3.209 20 0 IGADRO CCOC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864399 721112704 /nfs/dbraw/zinc/11/27/04/721112704.db2.gz FSXRFSCVOKHTKO-SFTDATJTSA-N 1 0 432.524 3.286 20 0 IGADRO COc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164865439 721116806 /nfs/dbraw/zinc/11/68/06/721116806.db2.gz LIVCORMLIBVJBK-KNQAVFIVSA-N 1 0 433.512 3.152 20 0 IGADRO CN(C)c1ccc(-c2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880719 721124051 /nfs/dbraw/zinc/12/40/51/721124051.db2.gz XFLHOJYQPBHHGL-GOTSBHOMSA-N 1 0 430.556 3.084 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164774425 721173338 /nfs/dbraw/zinc/17/33/38/721173338.db2.gz ZCJIVRWNSSCUKQ-CVEARBPZSA-N 1 0 448.905 3.400 20 0 IGADRO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)o2)cc1 ZINC001164771844 721205587 /nfs/dbraw/zinc/20/55/87/721205587.db2.gz REJLZNOWLDLNMZ-VQTJNVASSA-N 1 0 429.528 3.285 20 0 IGADRO COc1ccc(Cc2c(C)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2C)cc1 ZINC001164763894 721234949 /nfs/dbraw/zinc/23/49/49/721234949.db2.gz NXABHXSIDUSKEM-DHIUTWEWSA-N 1 0 446.599 3.385 20 0 IGADRO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]2C1 ZINC001164881996 721299902 /nfs/dbraw/zinc/29/99/02/721299902.db2.gz YZDZTERUYOSROA-WIYYLYMNSA-N 1 0 426.586 3.106 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NCc3cccnc3)C2)nc1 ZINC001164873374 721305062 /nfs/dbraw/zinc/30/50/62/721305062.db2.gz BEQDIDBHBXVLSE-YCAMKHIRSA-N 1 0 449.599 3.181 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5[nH]cc(Cl)c54)C3)O2)CC1 ZINC001164884992 721382083 /nfs/dbraw/zinc/38/20/83/721382083.db2.gz BLDFVBCHNDQGJV-VBKZILBWSA-N 1 0 439.391 3.030 20 0 IGADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)cc(Cl)n1 ZINC001164894059 721384274 /nfs/dbraw/zinc/38/42/74/721384274.db2.gz XBBOZBIIUKMSAS-ICSRJNTNSA-N 1 0 428.955 3.354 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164887748 721408104 /nfs/dbraw/zinc/40/81/04/721408104.db2.gz NEVMGADYTPBGCA-MBSDFSHPSA-N 1 0 434.028 3.164 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886585 721413316 /nfs/dbraw/zinc/41/33/16/721413316.db2.gz KGOOIEZBTMZDFN-UZUQRXQVSA-N 1 0 445.995 3.057 20 0 IGADRO Cc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164892859 721415661 /nfs/dbraw/zinc/41/56/61/721415661.db2.gz YZAQPNCUFHDTFE-FXAWDEMLSA-N 1 0 428.955 3.354 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)c1C ZINC001164883894 721421437 /nfs/dbraw/zinc/42/14/37/721421437.db2.gz CKGCDUDYJCLBDA-XLIONFOSSA-N 1 0 443.970 3.057 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(F)cc5ncnc(Cl)c54)C3)O2)CC1 ZINC001164892367 721428281 /nfs/dbraw/zinc/42/82/81/721428281.db2.gz IGVOPBSYAMKHRQ-VGSWGCGISA-N 1 0 433.959 3.188 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)c(NCC3CC3)n1)CC2 ZINC001164783830 721447714 /nfs/dbraw/zinc/44/77/14/721447714.db2.gz CPABGGFRLPFGBU-QFIPXVFZSA-N 1 0 443.636 3.341 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)c(NC3CC3)n1)CC2 ZINC001164787713 721447797 /nfs/dbraw/zinc/44/77/97/721447797.db2.gz PYCZNUPQFSCDCP-OAQYLSRUSA-N 1 0 429.609 3.093 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(Cl)nc(Cl)nc4C4CC4)C3)O2)CC1 ZINC001164886472 721451144 /nfs/dbraw/zinc/45/11/44/721451144.db2.gz GSCGXCHICQIDGV-HRAATJIYSA-N 1 0 440.419 3.426 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4c(F)ccc5c(Cl)ncnc54)C3)O2)CC1 ZINC001164891646 721451669 /nfs/dbraw/zinc/45/16/69/721451669.db2.gz VDEUEHNTJAXGBK-OPAMFIHVSA-N 1 0 433.959 3.188 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001164783234 721452023 /nfs/dbraw/zinc/45/20/23/721452023.db2.gz AOAAAGGJGUVKED-KRWDZBQOSA-N 1 0 444.954 3.409 20 0 IGADRO CCOC(=O)c1cc(F)cnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788694 721453363 /nfs/dbraw/zinc/45/33/63/721453363.db2.gz SQEFOIBRRHIACY-HXUWFJFHSA-N 1 0 449.567 3.131 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164790294 721454041 /nfs/dbraw/zinc/45/40/41/721454041.db2.gz XXOTUTSAZVOXRG-QGZVFWFLSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(F)cc1C(=O)OC)CC2 ZINC001164790234 721459945 /nfs/dbraw/zinc/45/99/45/721459945.db2.gz ZVKGMOVPNNSUCJ-IBGZPJMESA-N 1 0 449.567 3.050 20 0 IGADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncc1C ZINC001164782348 721460758 /nfs/dbraw/zinc/46/07/58/721460758.db2.gz AIDUBVJCWBPWCN-NRFANRHFSA-N 1 0 445.604 3.301 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(N3CCCCC3)n1)CC2 ZINC001164787723 721463479 /nfs/dbraw/zinc/46/34/79/721463479.db2.gz RWJPLUPCHKVKLN-JOCHJYFZSA-N 1 0 443.636 3.201 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164789231 721463733 /nfs/dbraw/zinc/46/37/33/721463733.db2.gz VXZGUERGLRZVHY-OAQYLSRUSA-N 1 0 425.577 3.206 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(N3CCCCC3)n1)CC2 ZINC001164790666 721467003 /nfs/dbraw/zinc/46/70/03/721467003.db2.gz UHVMNYKUFSYLHV-JOCHJYFZSA-N 1 0 443.636 3.201 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccnc1OC1CCC1)CC2 ZINC001164787406 721470683 /nfs/dbraw/zinc/47/06/83/721470683.db2.gz FNYXQMPQZBCWOB-HXUWFJFHSA-N 1 0 430.593 3.142 20 0 IGADRO CCOC(=O)c1nc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900066 721514349 /nfs/dbraw/zinc/51/43/49/721514349.db2.gz NRPHPFZUFYMFTO-PKOBYXMFSA-N 1 0 436.487 3.288 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(C4CC4)c2)CC3)CC1 ZINC001164794448 721522422 /nfs/dbraw/zinc/52/24/22/721522422.db2.gz DFGDXPFELRZXDR-UHFFFAOYSA-N 1 0 436.938 3.121 20 0 IGADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164795631 721523570 /nfs/dbraw/zinc/52/35/70/721523570.db2.gz PMXRRCOPLRXUCH-UHFFFAOYSA-N 1 0 444.942 3.000 20 0 IGADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164910340 721534571 /nfs/dbraw/zinc/53/45/71/721534571.db2.gz UJCVGGROCRGKCO-IEBWSBKVSA-N 1 0 438.503 3.436 20 0 IGADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911172 721541444 /nfs/dbraw/zinc/54/14/44/721541444.db2.gz VPPRUKSVCWTMPF-PZJWPPBQSA-N 1 0 434.519 3.086 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902673 721549584 /nfs/dbraw/zinc/54/95/84/721549584.db2.gz AWNSGBYMHMJIRZ-HIFRSBDPSA-N 1 0 428.842 3.165 20 0 IGADRO CSc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n1)CCCC2 ZINC001164803010 721551035 /nfs/dbraw/zinc/55/10/35/721551035.db2.gz HDZRXNUOCJGCPV-HKBOAZHASA-N 1 0 425.602 3.341 20 0 IGADRO CC1CCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CC1 ZINC001164908576 721553423 /nfs/dbraw/zinc/55/34/23/721553423.db2.gz QMOUICJBLRZCLN-GGAORHGYSA-N 1 0 438.547 3.435 20 0 IGADRO COc1cc2nc(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1OC ZINC001164810525 721555860 /nfs/dbraw/zinc/55/58/60/721555860.db2.gz YQQJXZFHXJTLTI-DPLHUUCSSA-N 1 0 449.555 3.219 20 0 IGADRO COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907206 721566220 /nfs/dbraw/zinc/56/62/20/721566220.db2.gz MRVSKHBCEHVOHI-HIFRSBDPSA-N 1 0 428.842 3.165 20 0 IGADRO CCOC(=O)c1cc2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH]c-2n1 ZINC001164798128 721567260 /nfs/dbraw/zinc/56/72/60/721567260.db2.gz AIMXKWAUHHFEFM-ONTIZHBOSA-N 1 0 435.528 3.003 20 0 IGADRO COC(=O)c1cc2ccccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806990 721581367 /nfs/dbraw/zinc/58/13/67/721581367.db2.gz OHRKNZYOKKDKMB-XPWALMASSA-N 1 0 432.524 3.285 20 0 IGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164807529 721586103 /nfs/dbraw/zinc/58/61/03/721586103.db2.gz OIZMJHGXGTWZLW-RBZQAINGSA-N 1 0 442.567 3.291 20 0 IGADRO CCOC(=O)Cc1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904960 721587389 /nfs/dbraw/zinc/58/73/89/721587389.db2.gz IJQIANFJXPPRMU-QFIPXVFZSA-N 1 0 430.499 3.320 20 0 IGADRO Cn1cnc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905975 721698436 /nfs/dbraw/zinc/69/84/36/721698436.db2.gz KLTNWXYSCZJQCG-LJQANCHMSA-N 1 0 433.894 3.149 20 0 IGADRO COCc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(SC)n1 ZINC001164904255 721702513 /nfs/dbraw/zinc/70/25/13/721702513.db2.gz DYPZVVDBLANKBJ-HXUWFJFHSA-N 1 0 435.544 3.478 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001165009431 721743449 /nfs/dbraw/zinc/74/34/49/721743449.db2.gz CXNSNRBMQVFKTN-UHFFFAOYSA-N 1 0 445.567 3.248 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025414 721800251 /nfs/dbraw/zinc/80/02/51/721800251.db2.gz NZPKHJXKUOMJBO-SNRMKQJTSA-N 1 0 429.952 3.439 20 0 IGADRO CCOC(=O)c1ncnc(Cl)c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023111 721821584 /nfs/dbraw/zinc/82/15/84/721821584.db2.gz HLFOAGASRMPSBW-SZMVWBNQSA-N 1 0 429.952 3.439 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(Cn4ccccc4=O)cn3)C[C@H]21 ZINC001165019877 721825508 /nfs/dbraw/zinc/82/55/08/721825508.db2.gz CJAFJIPQLSLKJF-GMKZXUHWSA-N 1 0 429.568 3.424 20 0 IGADRO CCCNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021377 721832156 /nfs/dbraw/zinc/83/21/56/721832156.db2.gz FFMCCOGIJWUYJH-HQRMLTQVSA-N 1 0 442.995 3.402 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2[C@H](C)CC(=O)N3)CC1 ZINC001165022639 721841317 /nfs/dbraw/zinc/84/13/17/721841317.db2.gz QVJSDJDSPRIYTF-OAHLLOKOSA-N 1 0 425.533 3.040 20 0 IGADRO CCOc1ccc(C(=O)OC)c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022733 721841686 /nfs/dbraw/zinc/84/16/86/721841686.db2.gz SXRYSNOHYMCANO-UHFFFAOYSA-N 1 0 443.544 3.385 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)nc1 ZINC001165030241 721851374 /nfs/dbraw/zinc/85/13/74/721851374.db2.gz SIBZTCCPDLZKCF-HXUWFJFHSA-N 1 0 440.592 3.148 20 0 IGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC001164931514 721884725 /nfs/dbraw/zinc/88/47/25/721884725.db2.gz GGTKRRFLYOSJFW-RBUKOAKNSA-N 1 0 449.628 3.242 20 0 IGADRO CCN(CCC(N)=O)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001165046998 721983896 /nfs/dbraw/zinc/98/38/96/721983896.db2.gz GMUNLMMWHXZIMM-UHFFFAOYSA-N 1 0 442.947 3.098 20 0 IGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952615 722016244 /nfs/dbraw/zinc/01/62/44/722016244.db2.gz OOXOTRCYNZOKTN-UHFFFAOYSA-N 1 0 429.952 3.123 20 0 IGADRO Cc1noc(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164961832 722040956 /nfs/dbraw/zinc/04/09/56/722040956.db2.gz NJDOTSSNYSKFAS-QNWVGRARSA-N 1 0 431.540 3.168 20 0 IGADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164960499 722052848 /nfs/dbraw/zinc/05/28/48/722052848.db2.gz PXRCTHBQRMMZTD-UHFFFAOYSA-N 1 0 430.936 3.036 20 0 IGADRO c1cnc(-c2nc3sc4c(c3c(N3C[C@@H]5C[N@H+](CC6CC6)C[C@H](C3)O5)n2)CCCC4)cn1 ZINC001164967733 722076335 /nfs/dbraw/zinc/07/63/35/722076335.db2.gz KZIFVFZCCHJSHA-CALCHBBNSA-N 1 0 448.596 3.327 20 0 IGADRO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164976873 722091626 /nfs/dbraw/zinc/09/16/26/722091626.db2.gz UGLZQDMPKZNKIU-NRFANRHFSA-N 1 0 426.605 3.469 20 0 IGADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986398 722100983 /nfs/dbraw/zinc/10/09/83/722100983.db2.gz YXVROGVEOCTUSO-GOEBONIOSA-N 1 0 444.313 3.451 20 0 IGADRO COCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164976353 722102404 /nfs/dbraw/zinc/10/24/04/722102404.db2.gz CQJQERGSVJWJPC-VWNXMTODSA-N 1 0 445.567 3.412 20 0 IGADRO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972557 722114458 /nfs/dbraw/zinc/11/44/58/722114458.db2.gz GBBRFJDECNXUFN-IEBWSBKVSA-N 1 0 438.906 3.325 20 0 IGADRO FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983078 722128070 /nfs/dbraw/zinc/12/80/70/722128070.db2.gz YAQCVSMLGBUYHE-QZTJIDSGSA-N 1 0 438.906 3.325 20 0 IGADRO Clc1nc2c(Cl)nccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979686 722137561 /nfs/dbraw/zinc/13/75/61/722137561.db2.gz LSYCPITZRFFEAF-WBVHZDCISA-N 1 0 445.354 3.454 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164980886 722144631 /nfs/dbraw/zinc/14/46/31/722144631.db2.gz NHPJZEXDYSHTPV-YKSBVNFPSA-N 1 0 431.540 3.275 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164975076 722148897 /nfs/dbraw/zinc/14/88/97/722148897.db2.gz DTSWLCUBFNIKTM-XZOQPEGZSA-N 1 0 430.556 3.278 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@@H]3C2)c1 ZINC001164973925 722151708 /nfs/dbraw/zinc/15/17/08/722151708.db2.gz NNMXDPSPYZTHAQ-NHCUHLMSSA-N 1 0 432.528 3.131 20 0 IGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(-n2c([C@@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164987859 722172958 /nfs/dbraw/zinc/17/29/58/722172958.db2.gz OZRSTGCGYAMDNT-VXKWHMMOSA-N 1 0 448.571 3.169 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164990829 722184716 /nfs/dbraw/zinc/18/47/16/722184716.db2.gz RZXWWUGXVYIJSU-QUCCMNQESA-N 1 0 434.009 3.015 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(CNC(=O)C(C)C)nnc3C2)nc1 ZINC001164989439 722190452 /nfs/dbraw/zinc/19/04/52/722190452.db2.gz NLUAMTWRKSXXIG-FQEVSTJZSA-N 1 0 439.608 3.293 20 0 IGADRO CCc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(N2CCOCC2)n1 ZINC001164996345 722204629 /nfs/dbraw/zinc/20/46/29/722204629.db2.gz UEIGOFBKUMQHBG-XMMPIXPASA-N 1 0 425.552 3.260 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)ncc1Cl)CCC2 ZINC001165000481 722251764 /nfs/dbraw/zinc/25/17/64/722251764.db2.gz QBYFGHTYAYCWAB-UHFFFAOYSA-N 1 0 435.306 3.013 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C(=O)Nc3ccccc3)ccn1)CCC2 ZINC001165001649 722253751 /nfs/dbraw/zinc/25/37/51/722253751.db2.gz FCGPIDFDECTOHY-UHFFFAOYSA-N 1 0 434.544 3.019 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(SCc3ccccc3)ncn1)CCC2 ZINC001165004296 722257432 /nfs/dbraw/zinc/25/74/32/722257432.db2.gz PVMNFUDGXPKUBR-UHFFFAOYSA-N 1 0 438.601 3.454 20 0 IGADRO [NH3+]C1CC2(C1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164387266 718802111 /nfs/dbraw/zinc/80/21/11/718802111.db2.gz KWYLURPNWPFBQA-UHFFFAOYSA-N 1 0 427.618 3.110 20 0 IGADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)cc1 ZINC001164388398 718824079 /nfs/dbraw/zinc/82/40/79/718824079.db2.gz BUTPGQLGMQCHHE-IAGOWNOFSA-N 1 0 437.874 3.301 20 0 IGADRO c1sc2nc(CN3CCCCC3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1-c1ccccc1 ZINC001164403454 718839406 /nfs/dbraw/zinc/83/94/06/718839406.db2.gz JJGWWTBYFDHTOJ-FQEVSTJZSA-N 1 0 448.640 3.438 20 0 IGADRO OC[C@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401615 718852963 /nfs/dbraw/zinc/85/29/63/718852963.db2.gz CKFXROWHVBLZHJ-UQBPGWFLSA-N 1 0 449.624 3.362 20 0 IGADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3C(F)(F)F)nnc1Cl)C2 ZINC001164403805 718854663 /nfs/dbraw/zinc/85/46/63/718854663.db2.gz IUTVINCADRZDFY-DIFFPNOSSA-N 1 0 448.823 3.379 20 0 IGADRO Fc1ccccc1-c1cc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c(Cl)nn1 ZINC001164415003 718885938 /nfs/dbraw/zinc/88/59/38/718885938.db2.gz DFKCOFKOMXQCCL-UHFFFAOYSA-N 1 0 449.868 3.171 20 0 IGADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164421858 718913791 /nfs/dbraw/zinc/91/37/91/718913791.db2.gz VDHNGUJBNRECAL-KRWDZBQOSA-N 1 0 433.286 3.067 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164617103 719006878 /nfs/dbraw/zinc/00/68/78/719006878.db2.gz MHUKJPFNYZDXFD-KZULUSFZSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164619304 719008798 /nfs/dbraw/zinc/00/87/98/719008798.db2.gz VOCSVKPGKGFBAO-KXBFYZLASA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164617903 719009387 /nfs/dbraw/zinc/00/93/87/719009387.db2.gz QLHAXXOQIGLYNB-DVECYGJZSA-N 1 0 447.023 3.480 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1C ZINC001164618518 719025816 /nfs/dbraw/zinc/02/58/16/719025816.db2.gz XUXYXWPOVJELOE-UHFFFAOYSA-N 1 0 437.968 3.464 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4ccc(C(=O)OC)cc4cn3)CC2)CC1 ZINC001164617863 719030837 /nfs/dbraw/zinc/03/08/37/719030837.db2.gz QGCPFAHVJRXDBI-UHFFFAOYSA-N 1 0 425.529 3.265 20 0 IGADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164626844 719097130 /nfs/dbraw/zinc/09/71/30/719097130.db2.gz JEKMLIAVYZUVHR-UNMCSNQZSA-N 1 0 428.602 3.213 20 0 IGADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164621192 719134105 /nfs/dbraw/zinc/13/41/05/719134105.db2.gz LOKVVRKWXHIBJX-NSHDSACASA-N 1 0 425.650 3.086 20 0 IGADRO CC(C)N(c1ncnc2c1CN(Cc1ccccc1)CC2)c1ncnc2c1CC[NH2+]CC2 ZINC001164659952 719344868 /nfs/dbraw/zinc/34/48/68/719344868.db2.gz GSDRICNZVAZXGQ-UHFFFAOYSA-N 1 0 429.572 3.060 20 0 IGADRO CN(C)c1nccc(N2CCOC[C@@]3(CCC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2)n1 ZINC001164664627 719357527 /nfs/dbraw/zinc/35/75/27/719357527.db2.gz PTDNFBVYKDPOJE-QHCPKHFHSA-N 1 0 445.011 3.445 20 0 IGADRO COc1cc(C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681137 719667727 /nfs/dbraw/zinc/66/77/27/719667727.db2.gz KBHJTFZLJFJBKM-FQEVSTJZSA-N 1 0 436.600 3.492 20 0 IGADRO Cc1noc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164686269 719680035 /nfs/dbraw/zinc/68/00/35/719680035.db2.gz WWWFEXUKTNVOPT-GOSISDBHSA-N 1 0 448.571 3.020 20 0 IGADRO COC(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1C(=O)OC ZINC001164692298 719804609 /nfs/dbraw/zinc/80/46/09/719804609.db2.gz MWKQOMJGZNVBSG-UHFFFAOYSA-N 1 0 444.557 3.055 20 0 IGADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(Cl)c4c2N(C)CCO4)CC3)cs1 ZINC001164693592 719812629 /nfs/dbraw/zinc/81/26/29/719812629.db2.gz WWSMEMZSTAJCGJ-UHFFFAOYSA-N 1 0 434.997 3.359 20 0 IGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2c1C ZINC001164806434 720068737 /nfs/dbraw/zinc/06/87/37/720068737.db2.gz CSUPREQOMKIWHF-HXOBKFHXSA-N 1 0 444.601 3.361 20 0 IGADRO COCc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1C[NH2+]C2 ZINC001164713812 720078636 /nfs/dbraw/zinc/07/86/36/720078636.db2.gz UPGINHJTBMEJLF-CQSZACIVSA-N 1 0 438.601 3.347 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)c(Cl)cn1)CC2 ZINC001164711180 720097498 /nfs/dbraw/zinc/09/74/98/720097498.db2.gz OZHHEYUTYVTYID-SFHVURJKSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1C(=O)OC)CC2 ZINC001164711564 720098489 /nfs/dbraw/zinc/09/84/89/720098489.db2.gz QVXOUVSOGWELFL-SFHVURJKSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164814396 720105561 /nfs/dbraw/zinc/10/55/61/720105561.db2.gz SFPNURSMNKHEPW-HOFKKMOUSA-N 1 0 447.627 3.220 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc3cc(OC)c(OC)cc31)C2 ZINC001164808176 720117846 /nfs/dbraw/zinc/11/78/46/720117846.db2.gz DURJFPRZDCWLOY-UUOWRZLLSA-N 1 0 426.561 3.140 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cc(C(=O)OC)ccc31)C2 ZINC001164813827 720118740 /nfs/dbraw/zinc/11/87/40/720118740.db2.gz RBNWMQOZFWSADZ-HXOBKFHXSA-N 1 0 444.963 3.255 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)C2 ZINC001164813870 720119779 /nfs/dbraw/zinc/11/97/79/720119779.db2.gz RJANTIGZXCVRJH-WAIKUNEKSA-N 1 0 446.979 3.485 20 0 IGADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164808691 720128323 /nfs/dbraw/zinc/12/83/23/720128323.db2.gz GBLRPQWGWKEDNE-XOBRGWDASA-N 1 0 443.375 3.145 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1OCC(C)C)CC2 ZINC001164714007 720150706 /nfs/dbraw/zinc/15/07/06/720150706.db2.gz VCLJXHSDAKYAQJ-NRFANRHFSA-N 1 0 425.577 3.414 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164812418 720164026 /nfs/dbraw/zinc/16/40/26/720164026.db2.gz AMSKCXBCXLMONE-MGPUTAFESA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)N1CCc3ccccc31)C2 ZINC001164815556 720165443 /nfs/dbraw/zinc/16/54/43/720165443.db2.gz IDPCDQJFUNNDCT-WXVAWEFUSA-N 1 0 446.595 3.469 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)C2 ZINC001164819550 720166797 /nfs/dbraw/zinc/16/67/97/720166797.db2.gz XSZBMYFEABWQPS-RCZVLFRGSA-N 1 0 426.605 3.138 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3cc(Cl)ccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713424 720171092 /nfs/dbraw/zinc/17/10/92/720171092.db2.gz KCKQVWTTYFWUJP-HXUWFJFHSA-N 1 0 426.952 3.233 20 0 IGADRO Cc1c(Cl)cnc(Cl)c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164714564 720194331 /nfs/dbraw/zinc/19/43/31/720194331.db2.gz GRTYCTJNZHIQIU-INIZCTEOSA-N 1 0 425.364 3.042 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3c(Cl)ccc(F)c3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715278 720203966 /nfs/dbraw/zinc/20/39/66/720203966.db2.gz KOQAIFTZQFMEBA-IBGZPJMESA-N 1 0 444.942 3.372 20 0 IGADRO Cc1ccc2nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c(Cl)nc2c1 ZINC001164814755 720220764 /nfs/dbraw/zinc/22/07/64/720220764.db2.gz YFPYJRHZANOKHE-UHFFFAOYSA-N 1 0 426.952 3.399 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c(F)cccc31)CCC2 ZINC001164813966 720220849 /nfs/dbraw/zinc/22/08/49/720220849.db2.gz QJJLJTZYSJCMMX-UHFFFAOYSA-N 1 0 430.915 3.230 20 0 IGADRO CCOC(=O)c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc2ccccc21 ZINC001164814095 720221664 /nfs/dbraw/zinc/22/16/64/720221664.db2.gz SYBHUDQEOJSECJ-UHFFFAOYSA-N 1 0 449.555 3.219 20 0 IGADRO Cc1cc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814736 720223390 /nfs/dbraw/zinc/22/33/90/720223390.db2.gz XJDHMDKMTLUSEE-UHFFFAOYSA-N 1 0 425.911 3.396 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812175 720227631 /nfs/dbraw/zinc/22/76/31/720227631.db2.gz GDZWYAFUOSBVNT-UHFFFAOYSA-N 1 0 447.967 3.027 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)COc1cccc(Cl)n1)CCC2 ZINC001164812854 720229694 /nfs/dbraw/zinc/22/96/94/720229694.db2.gz JGHUYMQGMRDUBT-UHFFFAOYSA-N 1 0 441.910 3.009 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)ncc2Cl)CC1 ZINC001164822664 720304952 /nfs/dbraw/zinc/30/49/52/720304952.db2.gz OAMBQJCKYBQULX-LSDHHAIUSA-N 1 0 448.345 3.240 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821109 720309646 /nfs/dbraw/zinc/30/96/46/720309646.db2.gz JOKJXAZDTVSHGK-ROUUACIJSA-N 1 0 448.995 3.132 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001164827981 720312855 /nfs/dbraw/zinc/31/28/55/720312855.db2.gz YWRLIXVGZQDMBQ-OALUTQOASA-N 1 0 449.933 3.473 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001164827985 720312911 /nfs/dbraw/zinc/31/29/11/720312911.db2.gz YWRLIXVGZQDMBQ-RTBURBONSA-N 1 0 449.933 3.473 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c21 ZINC001164831980 720322624 /nfs/dbraw/zinc/32/26/24/720322624.db2.gz SOEONHMZARHYNW-QZTJIDSGSA-N 1 0 443.979 3.203 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164824234 720339343 /nfs/dbraw/zinc/33/93/43/720339343.db2.gz HRQWNSGLAREKJF-GOTSBHOMSA-N 1 0 435.572 3.064 20 0 IGADRO COc1ccccc1-c1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827846 720342167 /nfs/dbraw/zinc/34/21/67/720342167.db2.gz MWKSIHNQZSIEPR-VXKWHMMOSA-N 1 0 435.572 3.064 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164830228 720342186 /nfs/dbraw/zinc/34/21/86/720342186.db2.gz VPMBBUSILTWRNJ-FCHUYYIVSA-N 1 0 435.572 3.064 20 0 IGADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccsc2)n1 ZINC001164821759 720344415 /nfs/dbraw/zinc/34/44/15/720344415.db2.gz BSWGWXZVNZNSMU-VQTJNVASSA-N 1 0 425.602 3.425 20 0 IGADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2cccs2)n1 ZINC001164821739 720344706 /nfs/dbraw/zinc/34/47/06/720344706.db2.gz BPBIFECAXYDQRK-RBUKOAKNSA-N 1 0 425.602 3.425 20 0 IGADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164826815 720345278 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Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2cccs2)n1 ZINC001164899508 721440221 /nfs/dbraw/zinc/44/02/21/721440221.db2.gz YSNJLXWGWJSVJX-AUSIDOKSSA-N 1 0 427.618 3.279 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccc(F)cc54)C3)O2)CC1 ZINC001164899773 721443608 /nfs/dbraw/zinc/44/36/08/721443608.db2.gz YYYYHYSJIHJOBQ-VGOFRKELSA-N 1 0 433.959 3.188 20 0 IGADRO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891324 721447105 /nfs/dbraw/zinc/44/71/05/721447105.db2.gz UILCLGJUKAKKHB-NBGIEHNGSA-N 1 0 439.579 3.357 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001164786789 721448425 /nfs/dbraw/zinc/44/84/25/721448425.db2.gz NNRGZVDRXVIXOU-QGZVFWFLSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc[nH]c31)CC2 ZINC001164788716 721448486 /nfs/dbraw/zinc/44/84/86/721448486.db2.gz SXXWUEVQUDQZOE-KRWDZBQOSA-N 1 0 433.984 3.345 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164787780 721448543 /nfs/dbraw/zinc/44/85/43/721448543.db2.gz QLMNGGFIUVLQJF-QGZVFWFLSA-N 1 0 433.984 3.345 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(OC)cc31)CC2 ZINC001164783553 721454767 /nfs/dbraw/zinc/45/47/67/721454767.db2.gz CHJPCGIOIXXHRQ-FQEVSTJZSA-N 1 0 440.588 3.372 20 0 IGADRO CCN(CC)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncn1 ZINC001164786830 721463723 /nfs/dbraw/zinc/46/37/23/721463723.db2.gz PQQLEVRBKJJNIY-OAQYLSRUSA-N 1 0 431.625 3.057 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164787164 721465179 /nfs/dbraw/zinc/46/51/79/721465179.db2.gz CWKRREVNTLEUGY-INIZCTEOSA-N 1 0 449.646 3.109 20 0 IGADRO Cc1cc(NC(=O)c2cccnc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)no1 ZINC001164903537 721552198 /nfs/dbraw/zinc/55/21/98/721552198.db2.gz CCMCEVFYFKYXPB-IEBWSBKVSA-N 1 0 437.475 3.111 20 0 IGADRO CCOC(=O)c1cnc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH]cc1-2 ZINC001164801187 721573702 /nfs/dbraw/zinc/57/37/02/721573702.db2.gz GJQIXASIRQKTNE-QNWVGRARSA-N 1 0 435.528 3.003 20 0 IGADRO CCOC(=O)c1cnc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH]cc1-2 ZINC001164801185 721573729 /nfs/dbraw/zinc/57/37/29/721573729.db2.gz GJQIXASIRQKTNE-GIWBLDEGSA-N 1 0 435.528 3.003 20 0 IGADRO CC1CCN(C(=O)c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2)CC1 ZINC001164800224 721577109 /nfs/dbraw/zinc/57/71/09/721577109.db2.gz DJYACUULDWLNFO-SONWIMMPSA-N 1 0 449.599 3.217 20 0 IGADRO CCOC(=O)Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904977 721705455 /nfs/dbraw/zinc/70/54/55/721705455.db2.gz GEBWWVILFMZYMN-QFIPXVFZSA-N 1 0 430.499 3.320 20 0 IGADRO CON(C)C(=O)c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908555 721718569 /nfs/dbraw/zinc/71/85/69/721718569.db2.gz XYXPMWQLLYDJAN-QFIPXVFZSA-N 1 0 445.514 3.156 20 0 IGADRO F[C@@H](Oc1ccc(Cl)nn1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910510 721738837 /nfs/dbraw/zinc/73/88/37/721738837.db2.gz FPPFHZZBKICEPP-QZTJIDSGSA-N 1 0 427.858 3.390 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3[nH]c4ccc(Cl)cc4c32)CC1 ZINC001165011059 721743232 /nfs/dbraw/zinc/74/32/32/721743232.db2.gz TZTKHCVAWQKOJF-UHFFFAOYSA-N 1 0 426.952 3.288 20 0 IGADRO CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027324 721806228 /nfs/dbraw/zinc/80/62/28/721806228.db2.gz VNJMPTJNILSLKR-IPELMVKDSA-N 1 0 429.952 3.439 20 0 IGADRO CCOC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022687 721813248 /nfs/dbraw/zinc/81/32/48/721813248.db2.gz GPYIUAHYDZFNNW-VDGAXYAQSA-N 1 0 443.979 3.368 20 0 IGADRO CCOC(=O)c1ncnc(Cl)c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023103 721821279 /nfs/dbraw/zinc/82/12/79/721821279.db2.gz HLFOAGASRMPSBW-CGTJXYLNSA-N 1 0 429.952 3.439 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@H]21 ZINC001165021437 721821701 /nfs/dbraw/zinc/82/17/01/721821701.db2.gz FPVJBFFPRCVBNW-CGTJXYLNSA-N 1 0 434.993 3.270 20 0 IGADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1C ZINC001165026021 721822670 /nfs/dbraw/zinc/82/26/70/721822670.db2.gz OBSGFTQWVBLHCY-CGTJXYLNSA-N 1 0 425.968 3.457 20 0 IGADRO CN1CCc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2C1 ZINC001165021329 721829952 /nfs/dbraw/zinc/82/99/52/721829952.db2.gz DYQUQKHAYPVNRV-MDKPJZGXSA-N 1 0 426.996 3.250 20 0 IGADRO CCOC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1C ZINC001165023305 721840934 /nfs/dbraw/zinc/84/09/34/721840934.db2.gz UTVHMCNHWPTBAM-UHFFFAOYSA-N 1 0 428.533 3.080 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)c(F)c3c2C(=O)NC3)CC1 ZINC001165023223 721841537 /nfs/dbraw/zinc/84/15/37/721841537.db2.gz YTZBNFFUTKVYCY-UHFFFAOYSA-N 1 0 448.926 3.236 20 0 IGADRO COC(=O)CSc1cccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165021196 721843048 /nfs/dbraw/zinc/84/30/48/721843048.db2.gz HHABCWSVOROCEX-UHFFFAOYSA-N 1 0 445.585 3.465 20 0 IGADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001165029182 721853671 /nfs/dbraw/zinc/85/36/71/721853671.db2.gz HKSIGWGCWYFQBL-UHFFFAOYSA-N 1 0 425.558 3.041 20 0 IGADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H](CO)C3)c21 ZINC001165032977 721878307 /nfs/dbraw/zinc/87/83/07/721878307.db2.gz JXYKKHFKGOCQIR-KRWDZBQOSA-N 1 0 427.932 3.215 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1 ZINC001164937300 721919271 /nfs/dbraw/zinc/91/92/71/721919271.db2.gz BEPKSTIBEXEZSW-TZBSWOFLSA-N 1 0 442.604 3.005 20 0 IGADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)cc1OC ZINC001164939378 721921893 /nfs/dbraw/zinc/92/18/93/721921893.db2.gz KQTHIFVYRHVLSZ-UHFFFAOYSA-N 1 0 425.529 3.057 20 0 IGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1 ZINC001165049875 721981802 /nfs/dbraw/zinc/98/18/02/721981802.db2.gz NEKBDVYFPMXMPS-NZQKXSOJSA-N 1 0 436.556 3.117 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)nc1 ZINC001164952737 722010926 /nfs/dbraw/zinc/01/09/26/722010926.db2.gz AYVOMEQFLLYTOT-LGVFNWMJSA-N 1 0 429.609 3.418 20 0 IGADRO Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(Cl)n1 ZINC001164963186 722054810 /nfs/dbraw/zinc/05/48/10/722054810.db2.gz HZTGUJAAZJKNOX-UHFFFAOYSA-N 1 0 437.922 3.497 20 0 IGADRO COC(=O)c1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1Cl ZINC001164962960 722055681 /nfs/dbraw/zinc/05/56/81/722055681.db2.gz GDBJBFLKBRUSHF-UHFFFAOYSA-N 1 0 430.936 3.036 20 0 IGADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc(C)c2c1 ZINC001164964165 722057402 /nfs/dbraw/zinc/05/74/02/722057402.db2.gz SESFKXCWILZCAZ-UHFFFAOYSA-N 1 0 433.556 3.461 20 0 IGADRO Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(-c2ccccn2)n1 ZINC001164960672 722059440 /nfs/dbraw/zinc/05/94/40/722059440.db2.gz GRCJQRQPAKDXID-UHFFFAOYSA-N 1 0 430.556 3.361 20 0 IGADRO O=C1[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968825 722082342 /nfs/dbraw/zinc/08/23/42/722082342.db2.gz HSUHVARNRVCEGW-XZOQPEGZSA-N 1 0 438.547 3.070 20 0 IGADRO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164986055 722104239 /nfs/dbraw/zinc/10/42/39/722104239.db2.gz XVBHFCVJPBNTNM-TZIWHRDSSA-N 1 0 436.947 3.314 20 0 IGADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983885 722107131 /nfs/dbraw/zinc/10/71/31/722107131.db2.gz QVPICWBEIXZBQV-ZBFHGGJFSA-N 1 0 444.313 3.451 20 0 IGADRO COC(=O)c1ccc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979257 722110973 /nfs/dbraw/zinc/11/09/73/722110973.db2.gz PQWABNJBLSFCFN-JTHBVZDNSA-N 1 0 432.524 3.144 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981997 722120092 /nfs/dbraw/zinc/12/00/92/722120092.db2.gz VPYILDWYERGWRF-JTSKRJEESA-N 1 0 439.947 3.414 20 0 IGADRO c1ccc(COc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cn2)cc1 ZINC001164984936 722133685 /nfs/dbraw/zinc/13/36/85/722133685.db2.gz YLFWGWCCMKDCJO-XZOQPEGZSA-N 1 0 431.540 3.178 20 0 IGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)C1 ZINC001164972729 722139510 /nfs/dbraw/zinc/13/95/10/722139510.db2.gz AKTAITRQUUCABO-HUVFLSCGSA-N 1 0 449.599 3.076 20 0 IGADRO CC1CCN(C(=O)c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)CC1 ZINC001164972636 722141007 /nfs/dbraw/zinc/14/10/07/722141007.db2.gz AFUJHLQGHDJWOY-RPWUZVMVSA-N 1 0 449.599 3.076 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164985088 722141435 /nfs/dbraw/zinc/14/14/35/722141435.db2.gz ZELPULJERNHFIM-RDPSFJRHSA-N 1 0 431.540 3.275 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3C2)c1 ZINC001164985499 722149352 /nfs/dbraw/zinc/14/93/52/722149352.db2.gz ZQZGBWZKPWXCFG-URXFXBBRSA-N 1 0 442.567 3.150 20 0 IGADRO COc1cc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976362 722153324 /nfs/dbraw/zinc/15/33/24/722153324.db2.gz WTGSGRYNXYZDEJ-DVECYGJZSA-N 1 0 434.540 3.374 20 0 IGADRO CCCSc1ncnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164971682 722156341 /nfs/dbraw/zinc/15/63/41/722156341.db2.gz CYQNMYVLXWQYHN-MOPGFXCFSA-N 1 0 429.590 3.110 20 0 IGADRO C[NH+]1CCN(c2cccc(N3CCC4(CC3)C(=O)N(CC3CC3)[C@H]4c3ccccc3)n2)CC1 ZINC001164999500 722221539 /nfs/dbraw/zinc/22/15/39/722221539.db2.gz SIPCYEFPZHAJCN-VWLOTQADSA-N 1 0 445.611 3.414 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cccc(-c3cccc(Cl)n3)n1)CCC2 ZINC001165001803 722253812 /nfs/dbraw/zinc/25/38/12/722253812.db2.gz GCSHRLOXVWJUAE-UHFFFAOYSA-N 1 0 426.952 3.482 20 0 IGADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3C(F)(F)F)nnc1Cl)C2 ZINC001164403807 718854910 /nfs/dbraw/zinc/85/49/10/718854910.db2.gz IUTVINCADRZDFY-PIGZYNQJSA-N 1 0 448.823 3.379 20 0 IGADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)cnc1Cl ZINC001164430784 718948241 /nfs/dbraw/zinc/94/82/41/718948241.db2.gz YILKKNOMONAURO-HZPDHXFCSA-N 1 0 427.904 3.149 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164618672 719009422 /nfs/dbraw/zinc/00/94/22/719009422.db2.gz SENFBUYJGCJNEI-KUHUBIRLSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164616067 719013708 /nfs/dbraw/zinc/01/37/08/719013708.db2.gz KIPKOAXWKOBTHX-IIMNLJJBSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614732 719017758 /nfs/dbraw/zinc/01/77/58/719017758.db2.gz GHNJHTRYPJAGAQ-BZSNNMDCSA-N 1 0 443.617 3.024 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164617544 719018505 /nfs/dbraw/zinc/01/85/05/719018505.db2.gz ONPAOXTYZLPUEA-BPNCWPANSA-N 1 0 428.892 3.133 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164613980 719020118 /nfs/dbraw/zinc/02/01/18/719020118.db2.gz AYOPJJRKOBZYEF-JCGIZDLHSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)CC1 ZINC001164618680 719030164 /nfs/dbraw/zinc/03/01/64/719030164.db2.gz ZQOVJOPZISPBTJ-UHFFFAOYSA-N 1 0 434.940 3.208 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(cc(OC)cc4OC)n3)CC2)CC1 ZINC001164617452 719034788 /nfs/dbraw/zinc/03/47/88/719034788.db2.gz KOSXEARWOBUEFD-UHFFFAOYSA-N 1 0 427.545 3.496 20 0 IGADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620158 719044448 /nfs/dbraw/zinc/04/44/48/719044448.db2.gz FMGZQKRCYMNLEJ-LAUBAEHRSA-N 1 0 449.933 3.095 20 0 IGADRO O=C(c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCOCC1 ZINC001164629590 719099811 /nfs/dbraw/zinc/09/98/11/719099811.db2.gz STZUSANDUXOYBE-KNQAVFIVSA-N 1 0 440.975 3.308 20 0 IGADRO Cc1c[nH]c2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164685212 719655647 /nfs/dbraw/zinc/65/56/47/719655647.db2.gz YOBBLWNMUXRUMA-IBGZPJMESA-N 1 0 446.599 3.360 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001164680255 719660644 /nfs/dbraw/zinc/66/06/44/719660644.db2.gz DQNJVSOTRHSURG-KRWDZBQOSA-N 1 0 427.980 3.223 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N)cc(Cl)n3)CC2)c2ccccc21 ZINC001164681662 719665088 /nfs/dbraw/zinc/66/50/88/719665088.db2.gz PQNHLMJGZWTDKL-KRWDZBQOSA-N 1 0 442.007 3.411 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C4CC4)ncn3)CC2)c2ccccc21 ZINC001164681112 719678772 /nfs/dbraw/zinc/67/87/72/719678772.db2.gz JTMPZMKGJSWOPL-HXUWFJFHSA-N 1 0 433.600 3.447 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4c(nn3)CCC4)CC2)c2ccccc21 ZINC001164687192 719681367 /nfs/dbraw/zinc/68/13/67/719681367.db2.gz QUMLKVGWKIDVEQ-FQEVSTJZSA-N 1 0 433.600 3.059 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 ZINC001164804526 720051856 /nfs/dbraw/zinc/05/18/56/720051856.db2.gz LLXHHQOMDYWQAK-CQOQZXRMSA-N 1 0 425.577 3.280 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1C(=O)OC)CC2 ZINC001164712618 720097619 /nfs/dbraw/zinc/09/76/19/720097619.db2.gz XITHFKJCWSPUAQ-LJQANCHMSA-N 1 0 444.963 3.424 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164814400 720105712 /nfs/dbraw/zinc/10/57/12/720105712.db2.gz SFPNURSMNKHEPW-WNCULLNHSA-N 1 0 447.627 3.220 20 0 IGADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(C)c1 ZINC001164714168 720108117 /nfs/dbraw/zinc/10/81/17/720108117.db2.gz AJKGMLADWJWCNM-JOCHJYFZSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3nc(C)[nH]c31)CC2 ZINC001164719465 720108704 /nfs/dbraw/zinc/10/87/04/720108704.db2.gz XJTVXGFCJANAEC-QGZVFWFLSA-N 1 0 441.967 3.217 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164807489 720110280 /nfs/dbraw/zinc/11/02/80/720110280.db2.gz CNIKMTQZTCDODC-YWZLYKJASA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c1C(=O)OC3(C)C)CC2 ZINC001164716892 720113860 /nfs/dbraw/zinc/11/38/60/720113860.db2.gz LHEQVTPKGZTRLR-IBGZPJMESA-N 1 0 436.556 3.390 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)c1C(=O)OC)CC2 ZINC001164718579 720116716 /nfs/dbraw/zinc/11/67/16/720116716.db2.gz SPULZXJSOJIQML-OAQYLSRUSA-N 1 0 438.572 3.388 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc3cc(OC)c(OC)cc31)C2 ZINC001164808174 720117525 /nfs/dbraw/zinc/11/75/25/720117525.db2.gz DURJFPRZDCWLOY-MHECFPHRSA-N 1 0 426.561 3.140 20 0 IGADRO CCOC(=O)c1c(C)ccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712234 720132666 /nfs/dbraw/zinc/13/26/66/720132666.db2.gz LLHGHKGUVAUHNM-NRFANRHFSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164819742 720154888 /nfs/dbraw/zinc/15/48/88/720154888.db2.gz XYKFVCPDNMXPHO-OXJNMPFZSA-N 1 0 443.922 3.251 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3c(Cl)cccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718339 720180920 /nfs/dbraw/zinc/18/09/20/720180920.db2.gz OVZYTIQACGKKRC-HXUWFJFHSA-N 1 0 426.952 3.233 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)C2 ZINC001164818343 720183623 /nfs/dbraw/zinc/18/36/23/720183623.db2.gz SKIRQTPZBVCNSA-BVZFJXPGSA-N 1 0 439.556 3.215 20 0 IGADRO Cn1nnc2c1CCN(c1cccc(OCc3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713298 720191315 /nfs/dbraw/zinc/19/13/15/720191315.db2.gz APGHTMHPZNKHCA-QFIPXVFZSA-N 1 0 448.571 3.005 20 0 IGADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716167 720204739 /nfs/dbraw/zinc/20/47/39/720204739.db2.gz AUIOKHKJEUJYQH-GOSISDBHSA-N 1 0 445.999 3.051 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820232 720267890 /nfs/dbraw/zinc/26/78/90/720267890.db2.gz VETZKWLZNMOMGH-GMAHTHKFSA-N 1 0 436.604 3.474 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)cc2-c2ccncc2)CC1 ZINC001164820967 720300124 /nfs/dbraw/zinc/30/01/24/720300124.db2.gz IMTFMPHCLYMKJX-VQTJNVASSA-N 1 0 440.979 3.104 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164829714 720316436 /nfs/dbraw/zinc/31/64/36/720316436.db2.gz NBYPGVUBJFQPIB-IRXDYDNUSA-N 1 0 442.938 3.200 20 0 IGADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829806 720319293 /nfs/dbraw/zinc/31/92/93/720319293.db2.gz NUYDKYDMLSZAQN-ROUUACIJSA-N 1 0 426.939 3.500 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164823501 720339176 /nfs/dbraw/zinc/33/91/76/720339176.db2.gz GKCYMCOSKZNNCE-FCHUYYIVSA-N 1 0 435.572 3.064 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164823504 720339320 /nfs/dbraw/zinc/33/93/20/720339320.db2.gz GKCYMCOSKZNNCE-YADHBBJMSA-N 1 0 435.572 3.064 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830789 720346424 /nfs/dbraw/zinc/34/64/24/720346424.db2.gz XCCRFTXZUAXFDE-FCHUYYIVSA-N 1 0 434.588 3.067 20 0 IGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727783 720384429 /nfs/dbraw/zinc/38/44/29/720384429.db2.gz RLFPSRBDTOFCOH-PMACEKPBSA-N 1 0 434.544 3.226 20 0 IGADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164730969 720415179 /nfs/dbraw/zinc/41/51/79/720415179.db2.gz KNOFKPFZGGMFPS-VQTJNVASSA-N 1 0 437.544 3.101 20 0 IGADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164827074 720417427 /nfs/dbraw/zinc/41/74/27/720417427.db2.gz QSQFJHKNAFEMSX-WXFUMESZSA-N 1 0 448.611 3.253 20 0 IGADRO c1ccc(N2CCN(c3cc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730089 720461035 /nfs/dbraw/zinc/46/10/35/720461035.db2.gz HQQCJQFGVPEYCW-ZEQRLZLVSA-N 1 0 441.583 3.051 20 0 IGADRO COc1cc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164841436 720537873 /nfs/dbraw/zinc/53/78/73/720537873.db2.gz VUBRADZCXYRKDM-LVCYWYKZSA-N 1 0 436.560 3.221 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(NC(=O)C(C)(C)C)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842965 720543607 /nfs/dbraw/zinc/54/36/07/720543607.db2.gz ZGWOBTSBYQMBSS-CEXWTWQISA-N 1 0 425.581 3.036 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1Cl ZINC001164734126 720556038 /nfs/dbraw/zinc/55/60/38/720556038.db2.gz VOCVCWVVHLSCSO-UHFFFAOYSA-N 1 0 438.359 3.420 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164836635 720602257 /nfs/dbraw/zinc/60/22/57/720602257.db2.gz GAPJYQGVTRLKES-IKGGRYGDSA-N 1 0 440.926 3.172 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164844206 720630487 /nfs/dbraw/zinc/63/04/87/720630487.db2.gz ZYRUXIOPPLQQMH-KKUMJFAQSA-N 1 0 447.374 3.301 20 0 IGADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164840231 720638906 /nfs/dbraw/zinc/63/89/06/720638906.db2.gz PFOKWATWBPGEJR-ABSDTBQOSA-N 1 0 431.968 3.404 20 0 IGADRO COC(OC)c1c(CO)ccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839336 720704195 /nfs/dbraw/zinc/70/41/95/720704195.db2.gz LCRXCPGABVBLLZ-NRFANRHFSA-N 1 0 441.572 3.125 20 0 IGADRO COC(=O)c1nc(Cl)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842351 720720858 /nfs/dbraw/zinc/72/08/58/720720858.db2.gz YSIGMCWHMRTCMS-KRWDZBQOSA-N 1 0 430.936 3.177 20 0 IGADRO FC(F)(c1cnc(Cl)cn1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844967 720741857 /nfs/dbraw/zinc/74/18/57/720741857.db2.gz WEYHWJLBSIBRBX-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO Fc1ccc(-c2nc(Cl)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738901 720775101 /nfs/dbraw/zinc/77/51/01/720775101.db2.gz GYEXXMRSCRMSRJ-IAGOWNOFSA-N 1 0 426.883 3.068 20 0 IGADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164741429 720803091 /nfs/dbraw/zinc/80/30/91/720803091.db2.gz BHMANDRMPBQRKJ-WMZOPIPTSA-N 1 0 438.919 3.363 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(C(=O)NCCc3ccccc3)C2)nc1 ZINC001164848608 720817543 /nfs/dbraw/zinc/81/75/43/720817543.db2.gz DEZOGPFPGSSFRU-XFAFFCHDSA-N 1 0 448.611 3.440 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)nc1 ZINC001164848845 720823031 /nfs/dbraw/zinc/82/30/31/720823031.db2.gz NKVWGKLJAMYJJF-YUMYIRISSA-N 1 0 428.577 3.309 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164745203 720847564 /nfs/dbraw/zinc/84/75/64/720847564.db2.gz MRCPYIBNQVUGKT-SXWKCWPCSA-N 1 0 445.571 3.123 20 0 IGADRO 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YANBDNBJAFLNGK-QPPBQGQZSA-N 1 0 449.599 3.266 20 0 IGADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983973 722103320 /nfs/dbraw/zinc/10/33/20/722103320.db2.gz RJWUYDHBAYNCHI-CABCVRRESA-N 1 0 444.313 3.451 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164984683 722103446 /nfs/dbraw/zinc/10/34/46/722103446.db2.gz TYWSDEIRVPTOJG-FUHWJXTLSA-N 1 0 438.906 3.411 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971387 722109582 /nfs/dbraw/zinc/10/95/82/722109582.db2.gz BVJNXPHAVUOVEJ-OALUTQOASA-N 1 0 444.963 3.342 20 0 IGADRO FC(F)(COc1ccnc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972555 722114721 /nfs/dbraw/zinc/11/47/21/722114721.db2.gz GBBRFJDECNXUFN-HKUYNNGSSA-N 1 0 438.906 3.325 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164973392 722139830 /nfs/dbraw/zinc/13/98/30/722139830.db2.gz CAYTWHUUAHENNE-ZJSXRUAMSA-N 1 0 431.540 3.275 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164973388 722139999 /nfs/dbraw/zinc/13/99/99/722139999.db2.gz CAYTWHUUAHENNE-XUZZJYLKSA-N 1 0 431.540 3.275 20 0 IGADRO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001164982787 722141108 /nfs/dbraw/zinc/14/11/08/722141108.db2.gz SPPHWSJJNZNIOF-ISKFKSNPSA-N 1 0 449.599 3.076 20 0 IGADRO COC(=O)c1cc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980259 722144462 /nfs/dbraw/zinc/14/44/62/722144462.db2.gz MFZYUVPKVRFQJX-REWPJTCUSA-N 1 0 432.524 3.144 20 0 IGADRO COc1cc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2cc1OC ZINC001164983279 722145750 /nfs/dbraw/zinc/14/57/50/722145750.db2.gz SXSGLYYWXCSRGD-DVECYGJZSA-N 1 0 434.540 3.374 20 0 IGADRO NC(=S)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2sccc21 ZINC001164972236 722158021 /nfs/dbraw/zinc/15/80/21/722158021.db2.gz HLJREFZNFKBFIU-VQIMIIECSA-N 1 0 439.610 3.053 20 0 IGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)nc1 ZINC001164987860 722173152 /nfs/dbraw/zinc/17/31/52/722173152.db2.gz OZRSTGCGYAMDNT-YADHBBJMSA-N 1 0 448.571 3.169 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(Cl)nc1-c1ccccc1)CCC2 ZINC001165003390 722257086 /nfs/dbraw/zinc/25/70/86/722257086.db2.gz BNGTWYWXAGTRMH-UHFFFAOYSA-N 1 0 426.952 3.482 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164616725 719007267 /nfs/dbraw/zinc/00/72/67/719007267.db2.gz LKWRFHPPFWOWKZ-FZKQIMNGSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164613965 719014190 /nfs/dbraw/zinc/01/41/90/719014190.db2.gz ATVWWWBZUPMRLD-IIMNLJJBSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614219 719024490 /nfs/dbraw/zinc/02/44/90/719024490.db2.gz PXUQIGYLIGRYIY-UHFFFAOYSA-N 1 0 437.968 3.464 20 0 IGADRO CCOC(=O)C1CCN(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164629067 719086567 /nfs/dbraw/zinc/08/65/67/719086567.db2.gz QTFGMHYFBSATJF-PKTZIBPZSA-N 1 0 449.599 3.357 20 0 IGADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164629465 719137747 /nfs/dbraw/zinc/13/77/47/719137747.db2.gz BJBGISFRBFTOEH-QGZVFWFLSA-N 1 0 432.858 3.446 20 0 IGADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001164632951 719171071 /nfs/dbraw/zinc/17/10/71/719171071.db2.gz GAIBVQVZWCFKFB-HUUCEWRRSA-N 1 0 433.965 3.159 20 0 IGADRO CCOC(=O)c1sc2nc(C)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164680527 719638109 /nfs/dbraw/zinc/63/81/09/719638109.db2.gz UNLCLXUWDQRJGS-UHFFFAOYSA-N 1 0 442.589 3.156 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4ncccc43)CC2)c2ccccc21 ZINC001164681715 719660659 /nfs/dbraw/zinc/66/06/59/719660659.db2.gz QKHCNGSDEYBVCY-LJQANCHMSA-N 1 0 444.583 3.118 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(Cl)[n+]3[O-])CC2)c2ccccc21 ZINC001164679919 719664548 /nfs/dbraw/zinc/66/45/48/719664548.db2.gz ACRRLGJJPJVGCG-GOSISDBHSA-N 1 0 442.991 3.067 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(N)cc3Cl)CC2)c2ccccc21 ZINC001164687161 719668841 /nfs/dbraw/zinc/66/88/41/719668841.db2.gz ZSOCMVXRSJXEAH-QGZVFWFLSA-N 1 0 442.007 3.411 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4cccnc4n3)CC2)c2ccccc21 ZINC001164683152 719669775 /nfs/dbraw/zinc/66/97/75/719669775.db2.gz RAOCJQBPEOUYIU-FQEVSTJZSA-N 1 0 444.583 3.118 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C4CC4)nn3)CC2)c2ccccc21 ZINC001164681574 719670933 /nfs/dbraw/zinc/67/09/33/719670933.db2.gz MYKHQMUSXHATKM-HXUWFJFHSA-N 1 0 433.600 3.447 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4c(n3)CCCC4)CC2)c2ccccc21 ZINC001164683576 719680635 /nfs/dbraw/zinc/68/06/35/719680635.db2.gz GESDAJNKYDUKKT-OAQYLSRUSA-N 1 0 447.627 3.449 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164805887 720078732 /nfs/dbraw/zinc/07/87/32/720078732.db2.gz AIZFDISIJIQZAZ-NBGIEHNGSA-N 1 0 426.605 3.329 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(N3CCCC3)n1)CC2 ZINC001164710016 720093112 /nfs/dbraw/zinc/09/31/12/720093112.db2.gz FMNYEWNTCXMXCD-JOCHJYFZSA-N 1 0 436.604 3.288 20 0 IGADRO CCOC(=O)c1ccc(C)c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164710981 720093359 /nfs/dbraw/zinc/09/33/59/720093359.db2.gz MNDDBHKXKFYNLT-NRFANRHFSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1C(=O)OC)C2 ZINC001164810074 720102470 /nfs/dbraw/zinc/10/24/70/720102470.db2.gz JPHKCOHQMKMWAC-FOIQADDNSA-N 1 0 443.922 3.251 20 0 IGADRO CCOC(=O)c1cc(C)cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164709674 720103235 /nfs/dbraw/zinc/10/32/35/720103235.db2.gz CDTVUGRJLNGHQB-NRFANRHFSA-N 1 0 438.572 3.469 20 0 IGADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164719000 720118636 /nfs/dbraw/zinc/11/86/36/720118636.db2.gz UPGIWPVNVRWSDS-QFIPXVFZSA-N 1 0 438.572 3.090 20 0 IGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001164815917 720127721 /nfs/dbraw/zinc/12/77/21/720127721.db2.gz XKYXMPKCULBRIH-AUSIDOKSSA-N 1 0 435.012 3.402 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164711317 720144826 /nfs/dbraw/zinc/14/48/26/720144826.db2.gz HEAAOKVRRZKTDZ-HXUWFJFHSA-N 1 0 433.560 3.064 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)N1CCC(C)CC1)C2 ZINC001164820265 720167702 /nfs/dbraw/zinc/16/77/02/720167702.db2.gz ZWBPIVUNYPJRPD-BWKNWUBXSA-N 1 0 426.605 3.138 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3cc(Cl)ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718207 720175955 /nfs/dbraw/zinc/17/59/55/720175955.db2.gz NHZAYESVTNTHBA-HXUWFJFHSA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3ccc(Cl)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718777 720176374 /nfs/dbraw/zinc/17/63/74/720176374.db2.gz QYBUVNQLRGRCHJ-HXUWFJFHSA-N 1 0 426.952 3.233 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164816344 720178990 /nfs/dbraw/zinc/17/89/90/720178990.db2.gz KZSCQAZOUMLCGS-BEVDRBHNSA-N 1 0 448.917 3.120 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)C2 ZINC001164814403 720181914 /nfs/dbraw/zinc/18/19/14/720181914.db2.gz GCJNQBFANUMWRC-KBMIEXCESA-N 1 0 438.572 3.346 20 0 IGADRO CC(C)c1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc(C(C)(C)C)n1 ZINC001164714648 720200445 /nfs/dbraw/zinc/20/04/45/720200445.db2.gz HMWYHEQQGBSPRZ-LJQANCHMSA-N 1 0 441.624 3.242 20 0 IGADRO Cc1cc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)s1 ZINC001164814113 720217415 /nfs/dbraw/zinc/21/74/15/720217415.db2.gz UNZJPFALPQIKAI-UHFFFAOYSA-N 1 0 432.981 3.460 20 0 IGADRO Cc1sc2nc(C)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164814781 720222841 /nfs/dbraw/zinc/22/28/41/720222841.db2.gz YZMFQIFKOQKZRF-UHFFFAOYSA-N 1 0 426.590 3.424 20 0 IGADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814681 720224470 /nfs/dbraw/zinc/22/44/70/720224470.db2.gz UWDNSHGLPWMUOH-UHFFFAOYSA-N 1 0 426.952 3.399 20 0 IGADRO COCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccccc2)n1 ZINC001164821619 720295436 /nfs/dbraw/zinc/29/54/36/720295436.db2.gz LLRUMOAQCXVPLJ-PKTZIBPZSA-N 1 0 449.599 3.202 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)ncc2Cl)CC1 ZINC001164822662 720304159 /nfs/dbraw/zinc/30/41/59/720304159.db2.gz OAMBQJCKYBQULX-GJZGRUSLSA-N 1 0 448.345 3.240 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821028 720309592 /nfs/dbraw/zinc/30/95/92/720309592.db2.gz JFCCUFVKJVJHDD-MSOLQXFVSA-N 1 0 448.995 3.132 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)COc2ccnc(Cl)c2)CC1 ZINC001164823806 720315732 /nfs/dbraw/zinc/31/57/32/720315732.db2.gz 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CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906372 721546603 /nfs/dbraw/zinc/54/66/03/721546603.db2.gz KFMIFALPYXHFNJ-UYAOXDASSA-N 1 0 442.535 3.040 20 0 IGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)CC[N@@H+]3C2)c1 ZINC001164905890 721562760 /nfs/dbraw/zinc/56/27/60/721562760.db2.gz HUGQULFEPAYMFU-CTNGQTDRSA-N 1 0 430.487 3.297 20 0 IGADRO COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907207 721566519 /nfs/dbraw/zinc/56/65/19/721566519.db2.gz MRVSKHBCEHVOHI-UKRRQHHQSA-N 1 0 428.842 3.165 20 0 IGADRO CCOC(=O)c1cc2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH]c-2n1 ZINC001164798126 721567031 /nfs/dbraw/zinc/56/70/31/721567031.db2.gz AIMXKWAUHHFEFM-JAXLGGSGSA-N 1 0 435.528 3.003 20 0 IGADRO COC(=O)c1ccc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncc2c1 ZINC001164804701 721573453 /nfs/dbraw/zinc/57/34/53/721573453.db2.gz MHJDAKUIJICOQX-FIXSFTCYSA-N 1 0 432.524 3.285 20 0 IGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2)C1 ZINC001164798192 721576896 /nfs/dbraw/zinc/57/68/96/721576896.db2.gz APMKEBXPCYOECS-BRXVMWLGSA-N 1 0 449.599 3.217 20 0 IGADRO Cc1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C(N)=O ZINC001164904174 721585464 /nfs/dbraw/zinc/58/54/64/721585464.db2.gz DMLYMVQYEJULOQ-HXUWFJFHSA-N 1 0 435.906 3.275 20 0 IGADRO COC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1OC ZINC001164906253 721586691 /nfs/dbraw/zinc/58/66/91/721586691.db2.gz MQENFSDPLYWQNR-NRFANRHFSA-N 1 0 432.471 3.010 20 0 IGADRO C[C@@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010737 721692015 /nfs/dbraw/zinc/69/20/15/721692015.db2.gz WUMZIWRITIXZCK-KPCPBYSCSA-N 1 0 435.572 3.474 20 0 IGADRO C[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007496 721692391 /nfs/dbraw/zinc/69/23/91/721692391.db2.gz CTFUGYOXONPIOS-RZTXVSJASA-N 1 0 435.572 3.475 20 0 IGADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164911139 721763463 /nfs/dbraw/zinc/76/34/63/721763463.db2.gz MVFCLQJWDVMYEX-UHFFFAOYSA-N 1 0 448.571 3.038 20 0 IGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H](OCC2CC2)[C@@H]2COC[C@H]21 ZINC001165015389 721764810 /nfs/dbraw/zinc/76/48/10/721764810.db2.gz POUMNFRNNVOBFU-QRVBRYPASA-N 1 0 425.907 3.287 20 0 IGADRO O=C1[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2CN1c1cccnc1 ZINC001165024873 721790083 /nfs/dbraw/zinc/79/00/83/721790083.db2.gz UDHSTBBRASRLDA-GMAHTHKFSA-N 1 0 425.536 3.134 20 0 IGADRO FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@]12CCN(c1cnccn1)C2 ZINC001164914202 721802947 /nfs/dbraw/zinc/80/29/47/721802947.db2.gz AWSDAVDCQLKAFU-QFIPXVFZSA-N 1 0 444.530 3.088 20 0 IGADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165024604 721805711 /nfs/dbraw/zinc/80/57/11/721805711.db2.gz MJOUEQHRNBVCJP-FFZOFVMBSA-N 1 0 434.544 3.267 20 0 IGADRO C(c1nc2sc3c(c2c(N2CC[NH+](C[C@H]4CCCO4)CC2)n1)CCCC3)N1CCCC1 ZINC001165036250 721918630 /nfs/dbraw/zinc/91/86/30/721918630.db2.gz AVNOBKUZTQDKMQ-GOSISDBHSA-N 1 0 441.645 3.467 20 0 IGADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955613 722021229 /nfs/dbraw/zinc/02/12/29/722021229.db2.gz KGJKMBCWGASHIZ-UHFFFAOYSA-N 1 0 435.906 3.266 20 0 IGADRO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164964314 722056696 /nfs/dbraw/zinc/05/66/96/722056696.db2.gz UQBRDRKXLUEREG-UHFFFAOYSA-N 1 0 444.963 3.426 20 0 IGADRO Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)nn1 ZINC001164960656 722059998 /nfs/dbraw/zinc/05/99/98/722059998.db2.gz GDDMGYRWHGANQH-UHFFFAOYSA-N 1 0 437.922 3.497 20 0 IGADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164984342 722099265 /nfs/dbraw/zinc/09/92/65/722099265.db2.gz SQLWPLRRXLOIRR-UTKZUKDTSA-N 1 0 439.947 3.414 20 0 IGADRO COc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164984340 722099551 /nfs/dbraw/zinc/09/95/51/722099551.db2.gz SQLWPLRRXLOIRR-LAUBAEHRSA-N 1 0 439.947 3.414 20 0 IGADRO CCOC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164980808 722103095 /nfs/dbraw/zinc/10/30/95/722103095.db2.gz KLDPAGDFZYIKGF-FXAWDEMLSA-N 1 0 430.936 3.034 20 0 IGADRO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164986044 722104314 /nfs/dbraw/zinc/10/43/14/722104314.db2.gz XVBHFCVJPBNTNM-CTNGQTDRSA-N 1 0 436.947 3.314 20 0 IGADRO COc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975709 722111231 /nfs/dbraw/zinc/11/12/31/722111231.db2.gz KKJBLZMXLCKAOP-UWJYYQICSA-N 1 0 439.947 3.414 20 0 IGADRO c1ccc(COc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cn2)cc1 ZINC001164984919 722133379 /nfs/dbraw/zinc/13/33/79/722133379.db2.gz YLFWGWCCMKDCJO-DHIUTWEWSA-N 1 0 431.540 3.178 20 0 IGADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980895 722145627 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PBPQFWQKXIBVFJ-SUMWQHHRSA-N 1 0 448.823 3.379 20 0 IGADRO CS(=O)(=O)c1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164415021 718882038 /nfs/dbraw/zinc/88/20/38/718882038.db2.gz ZBQXQZDPAMWRFJ-GFCCVEGCSA-N 1 0 447.857 3.337 20 0 IGADRO Fc1ccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164424076 718919808 /nfs/dbraw/zinc/91/98/08/718919808.db2.gz KNNFLQYWNXXWBR-LJQANCHMSA-N 1 0 442.869 3.066 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164619863 719007101 /nfs/dbraw/zinc/00/71/01/719007101.db2.gz XEIJEOBSCDMBSJ-LIRRHRJNSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164615919 719008074 /nfs/dbraw/zinc/00/80/74/719008074.db2.gz JRKQYXUNOSXACO-IFXJQAMLSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(OC)nc1Cl)C2 ZINC001164616528 719008831 /nfs/dbraw/zinc/00/88/31/719008831.db2.gz KXQIDQPGXPLWNU-YWZLYKJASA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164616169 719009415 /nfs/dbraw/zinc/00/94/15/719009415.db2.gz KMTACQDBZVUPOL-QRWLVFNGSA-N 1 0 442.938 3.441 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164618806 719019740 /nfs/dbraw/zinc/01/97/40/719019740.db2.gz TWVDBEZXXUMGEO-DQYPLSBCSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4cc(C(=O)OC)ccc4n3)CC2)CC1 ZINC001164614429 719025067 /nfs/dbraw/zinc/02/50/67/719025067.db2.gz SMFUBVYJVYNNPH-UHFFFAOYSA-N 1 0 425.529 3.265 20 0 IGADRO Fc1ccc(CN2CCOCC23CCN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)cc1 ZINC001164671700 719519664 /nfs/dbraw/zinc/51/96/64/719519664.db2.gz HWFWSEHQSLQVSQ-UHFFFAOYSA-N 1 0 430.955 3.391 20 0 IGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676953 719568273 /nfs/dbraw/zinc/56/82/73/719568273.db2.gz RVIMLLUNGLXBAD-UHFFFAOYSA-N 1 0 446.889 3.452 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(Cl)cn3)CC2)c2ccccc21 ZINC001164680957 719655585 /nfs/dbraw/zinc/65/55/85/719655585.db2.gz JTZSURZNOPGXHE-QGZVFWFLSA-N 1 0 427.980 3.223 20 0 IGADRO COc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c1 ZINC001164681127 719667862 /nfs/dbraw/zinc/66/78/62/719667862.db2.gz JXOKBIZEBJZVJM-HXUWFJFHSA-N 1 0 436.600 3.492 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cl)c[n+]3[O-])CC2)c2ccccc21 ZINC001164681493 719676309 /nfs/dbraw/zinc/67/63/09/719676309.db2.gz LXWJWBXPASBTPS-SFHVURJKSA-N 1 0 442.991 3.067 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164682250 719706561 /nfs/dbraw/zinc/70/65/61/719706561.db2.gz CSLRIEVZLGYVRQ-UHFFFAOYSA-N 1 0 429.924 3.070 20 0 IGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)nc1 ZINC001164695445 719835486 /nfs/dbraw/zinc/83/54/86/719835486.db2.gz MYOOGJXICCHQDC-GMAHTHKFSA-N 1 0 447.587 3.473 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nnn(C)c3[C@H](COCc3cccnc3)C2)nc1 ZINC001164695447 719835784 /nfs/dbraw/zinc/83/57/84/719835784.db2.gz MYOOGJXICCHQDC-JTHBVZDNSA-N 1 0 447.587 3.473 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703850 719877107 /nfs/dbraw/zinc/87/71/07/719877107.db2.gz KYRIBCAIHAIRBQ-TZBSWOFLSA-N 1 0 444.620 3.251 20 0 IGADRO O=c1ccccn1Cc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164707750 719898508 /nfs/dbraw/zinc/89/85/08/719898508.db2.gz XIFIRELXOXEIOG-UHFFFAOYSA-N 1 0 436.581 3.225 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164805888 720077786 /nfs/dbraw/zinc/07/77/86/720077786.db2.gz AIZFDISIJIQZAZ-NLFFAJNJSA-N 1 0 426.605 3.329 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)C2 ZINC001164810413 720078204 /nfs/dbraw/zinc/07/82/04/720078204.db2.gz LSSCXCQMXSQZIR-GAJHUEQPSA-N 1 0 444.963 3.255 20 0 IGADRO CCOC(=O)c1cc(C)cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164709675 720102585 /nfs/dbraw/zinc/10/25/85/720102585.db2.gz CDTVUGRJLNGHQB-OAQYLSRUSA-N 1 0 438.572 3.469 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccc(F)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717723 720174220 /nfs/dbraw/zinc/17/42/20/720174220.db2.gz LVJHNDZBMPOZEQ-HXUWFJFHSA-N 1 0 444.942 3.372 20 0 IGADRO CC(C)c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C(C)(C)C)n1 ZINC001164717624 720200615 /nfs/dbraw/zinc/20/06/15/720200615.db2.gz VLGHDSNLXWFMOA-FQEVSTJZSA-N 1 0 441.624 3.242 20 0 IGADRO COc1cc2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2cc1OC ZINC001164811968 720227900 /nfs/dbraw/zinc/22/79/00/720227900.db2.gz BNOFAGGIPBEHNJ-UHFFFAOYSA-N 1 0 437.544 3.059 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(Oc3ccc(F)cc3)n1)CCC2 ZINC001164813852 720239723 /nfs/dbraw/zinc/23/97/23/720239723.db2.gz QBUPOEMRMPBUOI-UHFFFAOYSA-N 1 0 438.507 3.215 20 0 IGADRO COc1cc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ccc2c(OC)c1 ZINC001164817480 720244139 /nfs/dbraw/zinc/24/41/39/720244139.db2.gz RMDQZHIBNYBOHY-UHFFFAOYSA-N 1 0 437.544 3.059 20 0 IGADRO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)cs1 ZINC001164817966 720257124 /nfs/dbraw/zinc/25/71/24/720257124.db2.gz VQLRNAKMLRTPEB-PMACEKPBSA-N 1 0 441.601 3.091 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccnc2C2SCCCS2)CC1 ZINC001164821931 720308346 /nfs/dbraw/zinc/30/83/46/720308346.db2.gz LZIQWXLWHIOEDL-ROUUACIJSA-N 1 0 447.674 3.257 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001164827983 720312531 /nfs/dbraw/zinc/31/25/31/720312531.db2.gz YWRLIXVGZQDMBQ-RBUKOAKNSA-N 1 0 449.933 3.473 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)ccc2F)CC1 ZINC001164831354 720316584 /nfs/dbraw/zinc/31/65/84/720316584.db2.gz RJVCBGDVCCRFCM-JKSUJKDBSA-N 1 0 430.902 3.331 20 0 IGADRO CSc1nc2ccccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831368 720322316 /nfs/dbraw/zinc/32/23/16/720322316.db2.gz RNXSFDYYEFKQQK-UXHICEINSA-N 1 0 425.602 3.263 20 0 IGADRO CSc1nc2ccccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831370 720322643 /nfs/dbraw/zinc/32/26/43/720322643.db2.gz RNXSFDYYEFKQQK-WOJBJXKFSA-N 1 0 425.602 3.263 20 0 IGADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164829722 720324333 /nfs/dbraw/zinc/32/43/33/720324333.db2.gz NCADDKJICGWSDH-IAGOWNOFSA-N 1 0 426.939 3.500 20 0 IGADRO COc1cc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164827931 720326051 /nfs/dbraw/zinc/32/60/51/720326051.db2.gz JFPAFCULKDVZBZ-NHCUHLMSSA-N 1 0 438.572 3.164 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)c1C ZINC001164834227 720326798 /nfs/dbraw/zinc/32/67/98/720326798.db2.gz YUOXISXOYKLVFK-IAGOWNOFSA-N 1 0 441.954 3.203 20 0 IGADRO CCCN(CCC)c1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164833384 720328541 /nfs/dbraw/zinc/32/85/41/720328541.db2.gz 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3.256 20 0 IGADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164721655 720380044 /nfs/dbraw/zinc/38/00/44/720380044.db2.gz AIGLEGLJFDEPIA-FGTMMUONSA-N 1 0 439.951 3.427 20 0 IGADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1OCC ZINC001164838435 720540153 /nfs/dbraw/zinc/54/01/53/720540153.db2.gz NUWXPCZFWBNCPO-SFHLNBCPSA-N 1 0 441.576 3.231 20 0 IGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC[C@@H]21 ZINC001164842107 720560767 /nfs/dbraw/zinc/56/07/67/720560767.db2.gz WNIPCLNFBRVENL-FSSWDIPSSA-N 1 0 446.603 3.179 20 0 IGADRO CCOC(=O)c1cc2c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH]c(C)c(C)c-2n1 ZINC001164730501 720572799 /nfs/dbraw/zinc/57/27/99/720572799.db2.gz WRKCYMBKZHKEKG-UHFFFAOYSA-N 1 0 436.560 3.211 20 0 IGADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164842500 720645243 /nfs/dbraw/zinc/64/52/43/720645243.db2.gz RUDJCIMYSIEWSJ-DBXWQHBBSA-N 1 0 436.560 3.221 20 0 IGADRO Cc1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C(N)=O ZINC001164837512 720664336 /nfs/dbraw/zinc/66/43/36/720664336.db2.gz BXCNGKWHMAOKEH-SFHVURJKSA-N 1 0 428.964 3.402 20 0 IGADRO COC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1OC ZINC001164843760 720669098 /nfs/dbraw/zinc/66/90/98/720669098.db2.gz XRCALEUBBRUJJD-IBGZPJMESA-N 1 0 425.529 3.137 20 0 IGADRO COCCOC(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842282 720724938 /nfs/dbraw/zinc/72/49/38/720724938.db2.gz XOMWBFHKVFRTOA-JOCHJYFZSA-N 1 0 439.556 3.145 20 0 IGADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838942 720738851 /nfs/dbraw/zinc/73/88/51/720738851.db2.gz ZUPPZDCFFPBVDG-UHFFFAOYSA-N 1 0 433.894 3.472 20 0 IGADRO c1ccc(Cc2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc23)cc1 ZINC001164742868 720755030 /nfs/dbraw/zinc/75/50/30/720755030.db2.gz OQSAQDWPZOIRPV-RTWAWAEBSA-N 1 0 438.535 3.353 20 0 IGADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739927 720766597 /nfs/dbraw/zinc/76/65/97/720766597.db2.gz JUYRRRQUQSVPDB-NVXWUHKLSA-N 1 0 442.882 3.193 20 0 IGADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164747680 720800340 /nfs/dbraw/zinc/80/03/40/720800340.db2.gz PAXMLSNWABZTBJ-KGLIPLIRSA-N 1 0 432.862 3.353 20 0 IGADRO Fc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164742696 720814850 /nfs/dbraw/zinc/81/48/50/720814850.db2.gz DAUWGZMMKYXFON-HLLBOEOZSA-N 1 0 440.901 3.390 20 0 IGADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164742054 720815608 /nfs/dbraw/zinc/81/56/08/720815608.db2.gz PGIIPIJCLJLPTE-NJDAHSKKSA-N 1 0 438.576 3.008 20 0 IGADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(OCc5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164737688 720817221 /nfs/dbraw/zinc/81/72/21/720817221.db2.gz BYPVYJHAGLBHBE-XPWALMASSA-N 1 0 445.571 3.027 20 0 IGADRO 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COc1cccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164748323 720838808 /nfs/dbraw/zinc/83/88/08/720838808.db2.gz UEUQAUIYFAEHCN-PQNGQFLHSA-N 1 0 445.571 3.123 20 0 IGADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751027 720839523 /nfs/dbraw/zinc/83/95/23/720839523.db2.gz XWMSDNJNFGFAMP-BHIFYINESA-N 1 0 438.624 3.074 20 0 IGADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164747421 720841897 /nfs/dbraw/zinc/84/18/97/720841897.db2.gz QMJZMEOCQYFPNN-AOHZBQACSA-N 1 0 441.583 3.213 20 0 IGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741705 720842594 /nfs/dbraw/zinc/84/25/94/720842594.db2.gz FODSEMPPCVREES-CMKODMSKSA-N 1 0 434.592 3.226 20 0 IGADRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164742485 720845185 /nfs/dbraw/zinc/84/51/85/720845185.db2.gz GSDYXLHRKXZCMS-WPFOTENUSA-N 1 0 429.572 3.423 20 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JFRUKHUOZCCXTL-JOCHJYFZSA-N 1 0 442.514 3.210 20 0 IGADRO CCCNC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909717 721725481 /nfs/dbraw/zinc/72/54/81/721725481.db2.gz DEBYUQMHHXACHR-QFIPXVFZSA-N 1 0 429.515 3.354 20 0 IGADRO COc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2c1ccn2C ZINC001164913140 721735717 /nfs/dbraw/zinc/73/57/17/721735717.db2.gz UJCSYOJRJSARDK-NRFANRHFSA-N 1 0 428.487 3.110 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(F)c4c3C(=O)NC4)C[C@@H]21 ZINC001165025359 721815202 /nfs/dbraw/zinc/81/52/02/721815202.db2.gz MUHCCHOLYFMPBJ-XOKHGSTOSA-N 1 0 429.927 3.249 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)C[C@H]21 ZINC001165025235 721815537 /nfs/dbraw/zinc/81/55/37/721815537.db2.gz MAYKWRQJVYOVBP-NWANDNLSSA-N 1 0 435.359 3.014 20 0 IGADRO COC(=O)CSc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022585 721820728 /nfs/dbraw/zinc/82/07/28/721820728.db2.gz FZESWOOTQVUSKG-IHPCNDPISA-N 1 0 426.586 3.479 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(Cn4ccccc4=O)cn3)C[C@@H]21 ZINC001165019880 721825497 /nfs/dbraw/zinc/82/54/97/721825497.db2.gz CJAFJIPQLSLKJF-OEMFJLHTSA-N 1 0 429.568 3.424 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C(C)C)nc(N(C)C)n2)CC1 ZINC001165020362 721842114 /nfs/dbraw/zinc/84/21/14/721842114.db2.gz CXJNLFKGHJCYON-UHFFFAOYSA-N 1 0 428.581 3.179 20 0 IGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC001164931513 721884797 /nfs/dbraw/zinc/88/47/97/721884797.db2.gz GGTKRRFLYOSJFW-OALUTQOASA-N 1 0 449.628 3.242 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(CN5CCOCC5)cn4)CC3)C2)cc1 ZINC001164938222 721921266 /nfs/dbraw/zinc/92/12/66/721921266.db2.gz JOVHGKUSSGUEKQ-UHFFFAOYSA-N 1 0 436.600 3.094 20 0 IGADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048986 721967074 /nfs/dbraw/zinc/96/70/74/721967074.db2.gz QKSQCWKZTFGTNW-INIZCTEOSA-N 1 0 429.943 3.356 20 0 IGADRO Cc1ccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960613 722025317 /nfs/dbraw/zinc/02/53/17/722025317.db2.gz LLFOWZBOIHCTKL-AUSIDOKSSA-N 1 0 442.995 3.478 20 0 IGADRO O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)N1CCCCC1 ZINC001164960533 722053149 /nfs/dbraw/zinc/05/31/49/722053149.db2.gz ROSFCUKZXQTARE-UHFFFAOYSA-N 1 0 449.599 3.222 20 0 IGADRO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963305 722058336 /nfs/dbraw/zinc/05/83/36/722058336.db2.gz WGHOUHYLOGZEIJ-ONEGZZNKSA-N 1 0 436.556 3.090 20 0 IGADRO COCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164976349 722102546 /nfs/dbraw/zinc/10/25/46/722102546.db2.gz CQJQERGSVJWJPC-LADGPHEKSA-N 1 0 445.567 3.412 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972537 722116395 /nfs/dbraw/zinc/11/63/95/722116395.db2.gz FYCXZNWDCOWFQO-YLJYHZDGSA-N 1 0 439.947 3.414 20 0 IGADRO c1ccc(COc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971365 722116613 /nfs/dbraw/zinc/11/66/13/722116613.db2.gz BITJKGSTIWNGHI-XZOQPEGZSA-N 1 0 431.540 3.178 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164983763 722122568 /nfs/dbraw/zinc/12/25/68/722122568.db2.gz ZZGUVYIYLKXMRF-FXAWDEMLSA-N 1 0 439.947 3.414 20 0 IGADRO Clc1ccc(CN2CCCC2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983730 722125376 /nfs/dbraw/zinc/12/53/76/722125376.db2.gz ZIJYEQICOVAYQT-UNMCSNQZSA-N 1 0 442.007 3.453 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985553 722130927 /nfs/dbraw/zinc/13/09/27/722130927.db2.gz ZUIOMHWRXZCVIZ-XUZZJYLKSA-N 1 0 431.540 3.275 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985550 722131023 /nfs/dbraw/zinc/13/10/23/722131023.db2.gz ZUIOMHWRXZCVIZ-QPPBQGQZSA-N 1 0 431.540 3.275 20 0 IGADRO COc1cc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983283 722145888 /nfs/dbraw/zinc/14/58/88/722145888.db2.gz SXSGLYYWXCSRGD-YADARESESA-N 1 0 434.540 3.374 20 0 IGADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164971058 722157783 /nfs/dbraw/zinc/15/77/83/722157783.db2.gz ACBHSUXZBADJME-LAUBAEHRSA-N 1 0 432.503 3.373 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]32)cs1 ZINC001164992906 722185057 /nfs/dbraw/zinc/18/50/57/722185057.db2.gz XUZJOIJISMOTFJ-YADHBBJMSA-N 1 0 427.618 3.312 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]32)cs1 ZINC001164990907 722186510 /nfs/dbraw/zinc/18/65/10/722186510.db2.gz SIBCNIBHPPQXMF-VXKWHMMOSA-N 1 0 427.618 3.312 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)nc1Cl)CCC2 ZINC001164999814 722250868 /nfs/dbraw/zinc/25/08/68/722250868.db2.gz GLBJTBIFMNJJLR-UHFFFAOYSA-N 1 0 435.306 3.013 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1c(Cl)nc(Cl)nc1C1CC1)CCC2 ZINC001165003630 722257901 /nfs/dbraw/zinc/25/79/01/722257901.db2.gz FNXIIZVEGKSTRH-UHFFFAOYSA-N 1 0 425.364 3.346 20 0 IGADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)c2ccccc21 ZINC001164390769 718823524 /nfs/dbraw/zinc/82/35/24/718823524.db2.gz QQPRLVKRPVZMDL-AEFFLSMTSA-N 1 0 433.890 3.401 20 0 IGADRO CS(=O)(=O)c1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164415024 718882232 /nfs/dbraw/zinc/88/22/32/718882232.db2.gz ZBQXQZDPAMWRFJ-LBPRGKRZSA-N 1 0 447.857 3.337 20 0 IGADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415561 718885141 /nfs/dbraw/zinc/88/51/41/718885141.db2.gz KTGSQHIJCOUJAT-UHFFFAOYSA-N 1 0 440.285 3.172 20 0 IGADRO Cc1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)c1 ZINC001164416532 718886021 /nfs/dbraw/zinc/88/60/21/718886021.db2.gz YXHJVOCZAFGFKR-UHFFFAOYSA-N 1 0 445.905 3.341 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164614205 719007379 /nfs/dbraw/zinc/00/73/79/719007379.db2.gz DHRVDLADYIQQCU-KZULUSFZSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164613941 719015301 /nfs/dbraw/zinc/01/53/01/719015301.db2.gz AOPVDEAGOAKMQK-BIGNPOOSSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(cccc4C(=O)OC)n3)CC2)CC1 ZINC001164618095 719033947 /nfs/dbraw/zinc/03/39/47/719033947.db2.gz RVTSAYOTRHSGBW-UHFFFAOYSA-N 1 0 425.529 3.265 20 0 IGADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@@H]5C[N@H+](Cc6ccccc6)C[C@@H]54)c3)cc21 ZINC001164619929 719075666 /nfs/dbraw/zinc/07/56/66/719075666.db2.gz DCVZYTYUPBXMLZ-YKSBVNFPSA-N 1 0 427.552 3.463 20 0 IGADRO O=S(=O)(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC001164628118 719103879 /nfs/dbraw/zinc/10/38/79/719103879.db2.gz MCFWMJVSEIZAET-VXKWHMMOSA-N 1 0 440.613 3.357 20 0 IGADRO O=C1CCCN1[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12 ZINC001164656903 719303228 /nfs/dbraw/zinc/30/32/28/719303228.db2.gz ZFCISXRNSWURBE-LLGBQNBKSA-N 1 0 446.595 3.246 20 0 IGADRO O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164679228 719537538 /nfs/dbraw/zinc/53/75/38/719537538.db2.gz VZRPZQMEOQLXMD-QLBJFCOMSA-N 1 0 446.595 3.246 20 0 IGADRO O=S(=O)(c1ccccc1)N(c1ncccc1CN1CCCC1)[C@H]1CCC12CC[NH2+]CC2 ZINC001164687010 719592051 /nfs/dbraw/zinc/59/20/51/719592051.db2.gz PXZOUYXMMDRIIM-QFIPXVFZSA-N 1 0 440.613 3.405 20 0 IGADRO CSc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684452 719660125 /nfs/dbraw/zinc/66/01/25/719660125.db2.gz XJUHRNXIFOVQKD-GOSISDBHSA-N 1 0 439.629 3.292 20 0 IGADRO CSc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684454 719660499 /nfs/dbraw/zinc/66/04/99/719660499.db2.gz XJUHRNXIFOVQKD-SFHVURJKSA-N 1 0 439.629 3.292 20 0 IGADRO COc1ccc(C)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680506 719668242 /nfs/dbraw/zinc/66/82/42/719668242.db2.gz GROWDDUIJPWDDO-HXUWFJFHSA-N 1 0 436.600 3.492 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(C4CC4)n3)CC2)c2ccccc21 ZINC001164686941 719671952 /nfs/dbraw/zinc/67/19/52/719671952.db2.gz ZBYRIIDPCBXNMK-FQEVSTJZSA-N 1 0 433.600 3.447 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4c(nn3)CCC4)CC2)c2ccccc21 ZINC001164687195 719681393 /nfs/dbraw/zinc/68/13/93/719681393.db2.gz QUMLKVGWKIDVEQ-HXUWFJFHSA-N 1 0 433.600 3.059 20 0 IGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ncc2N2CCOCC2)CC3)cs1 ZINC001164692476 719809206 /nfs/dbraw/zinc/80/92/06/719809206.db2.gz HZFMXJFPSWMKDV-UHFFFAOYSA-N 1 0 449.024 3.367 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703843 719876629 /nfs/dbraw/zinc/87/66/29/719876629.db2.gz KYRIBCAIHAIRBQ-FBLLAGFSSA-N 1 0 444.620 3.251 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1 ZINC001164704185 719924164 /nfs/dbraw/zinc/92/41/64/719924164.db2.gz OPJVANAPMRASRS-SSGKUCQKSA-N 1 0 442.604 3.271 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001164808456 720079972 /nfs/dbraw/zinc/07/99/72/720079972.db2.gz HKSJWVIZDICBAU-NVQXNPDNSA-N 1 0 434.584 3.196 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164710651 720100631 /nfs/dbraw/zinc/10/06/31/720100631.db2.gz KLQICLUPSIGICZ-QGZVFWFLSA-N 1 0 426.952 3.465 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164807484 720110224 /nfs/dbraw/zinc/11/02/24/720110224.db2.gz CNIKMTQZTCDODC-FOIQADDNSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)c1C(=O)OC)CC2 ZINC001164718578 720116008 /nfs/dbraw/zinc/11/60/08/720116008.db2.gz SPULZXJSOJIQML-NRFANRHFSA-N 1 0 438.572 3.388 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164719095 720121638 /nfs/dbraw/zinc/12/16/38/720121638.db2.gz VXIQCUCRYXCSOG-SFHVURJKSA-N 1 0 430.984 3.099 20 0 IGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1 ZINC001164815919 720127362 /nfs/dbraw/zinc/12/73/62/720127362.db2.gz XKYXMPKCULBRIH-WMZHIEFXSA-N 1 0 435.012 3.402 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC001164714024 720143748 /nfs/dbraw/zinc/14/37/48/720143748.db2.gz VLIIOVPANSINKP-FQEVSTJZSA-N 1 0 434.544 3.343 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccncc3)ncn1)CC2 ZINC001164714110 720144329 /nfs/dbraw/zinc/14/43/29/720144329.db2.gz WGQNTCXDLNIRDZ-JOCHJYFZSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164713894 720148321 /nfs/dbraw/zinc/14/83/21/720148321.db2.gz UDGAYIQDKIDWLX-JOCHJYFZSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164818008 720154009 /nfs/dbraw/zinc/15/40/09/720154009.db2.gz REPNNYZTXQZADO-JXFKEZNVSA-N 1 0 437.922 3.408 20 0 IGADRO Cn1nnc2c1CCN(c1ncccc1OCc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716043 720196176 /nfs/dbraw/zinc/19/61/76/720196176.db2.gz OXXRLHRCVOEABI-QFIPXVFZSA-N 1 0 448.571 3.005 20 0 IGADRO CC(C)c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C(C)(C)C)n1 ZINC001164717625 720200414 /nfs/dbraw/zinc/20/04/14/720200414.db2.gz VLGHDSNLXWFMOA-HXUWFJFHSA-N 1 0 441.624 3.242 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812684 720217951 /nfs/dbraw/zinc/21/79/51/720217951.db2.gz IEYTXOMXHHOFIN-UHFFFAOYSA-N 1 0 447.967 3.027 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813566 720224209 /nfs/dbraw/zinc/22/42/09/720224209.db2.gz PKIYBWJHOMUHLJ-UHFFFAOYSA-N 1 0 442.951 3.099 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(Oc3cccc(F)c3)n1)CCC2 ZINC001164814547 720230591 /nfs/dbraw/zinc/23/05/91/720230591.db2.gz XULSISCTRKLLCK-UHFFFAOYSA-N 1 0 438.507 3.215 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2F)CC1 ZINC001164822550 720293159 /nfs/dbraw/zinc/29/31/59/720293159.db2.gz MYQILMZEXZHPMG-HZPDHXFCSA-N 1 0 430.902 3.331 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3cccc(F)c32)CC1 ZINC001164819623 720310045 /nfs/dbraw/zinc/31/00/45/720310045.db2.gz FGJSDQKVKUWIBR-ZWKOTPCHSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2ccn3C2CCCC2)CC1 ZINC001164823886 720322105 /nfs/dbraw/zinc/32/21/05/720322105.db2.gz BODVLZAUKPYLFK-FCHUYYIVSA-N 1 0 436.604 3.458 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ccc2CN2CCCC2)CC1 ZINC001164825449 720323799 /nfs/dbraw/zinc/32/37/99/720323799.db2.gz FEMHPLAKJDSOLC-LEWJYISDSA-N 1 0 446.039 3.242 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccccc3nc2N2CCCC2)CC1 ZINC001164829504 720336398 /nfs/dbraw/zinc/33/63/98/720336398.db2.gz MWICOUSRQGNRQX-GOTSBHOMSA-N 1 0 448.615 3.142 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164830230 720342416 /nfs/dbraw/zinc/34/24/16/720342416.db2.gz VPMBBUSILTWRNJ-FGZHOGPDSA-N 1 0 435.572 3.064 20 0 IGADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827843 720342626 /nfs/dbraw/zinc/34/26/26/720342626.db2.gz MWKSIHNQZSIEPR-FGZHOGPDSA-N 1 0 435.572 3.064 20 0 IGADRO CCc1nc(Cl)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827435 720343361 /nfs/dbraw/zinc/34/33/61/720343361.db2.gz LKFZVQRLCXELFM-GJZGRUSLSA-N 1 0 426.392 3.257 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830791 720345965 /nfs/dbraw/zinc/34/59/65/720345965.db2.gz XCCRFTXZUAXFDE-FGZHOGPDSA-N 1 0 434.588 3.067 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164822246 720346066 /nfs/dbraw/zinc/34/60/66/720346066.db2.gz CQQIDPAIHVTKJD-YADHBBJMSA-N 1 0 434.588 3.067 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830795 720346296 /nfs/dbraw/zinc/34/62/96/720346296.db2.gz XCCRFTXZUAXFDE-YADHBBJMSA-N 1 0 434.588 3.067 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164830793 720346565 /nfs/dbraw/zinc/34/65/65/720346565.db2.gz XCCRFTXZUAXFDE-VXKWHMMOSA-N 1 0 434.588 3.067 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(F)c(-c3ccsc3)n2)CC1 ZINC001164828875 720352273 /nfs/dbraw/zinc/35/22/73/720352273.db2.gz QKQZYZWZZQLBRV-RBUKOAKNSA-N 1 0 429.565 3.256 20 0 IGADRO Cc1cc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164731006 720402586 /nfs/dbraw/zinc/40/25/86/720402586.db2.gz XWNIZTIDFGFTLJ-WOJBJXKFSA-N 1 0 436.585 3.085 20 0 IGADRO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164827071 720417657 /nfs/dbraw/zinc/41/76/57/720417657.db2.gz QSQFJHKNAFEMSX-TZRRMPRUSA-N 1 0 448.611 3.253 20 0 IGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164832395 720507306 /nfs/dbraw/zinc/50/73/06/720507306.db2.gz ANVCVBOONWODQO-JENIJYKNSA-N 1 0 431.968 3.486 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CSCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841757 720516828 /nfs/dbraw/zinc/51/68/28/720516828.db2.gz ZZFCNGXFBHHNAD-TXPKVOOTSA-N 1 0 433.025 3.494 20 0 IGADRO COc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC ZINC001164834881 720519456 /nfs/dbraw/zinc/51/94/56/720519456.db2.gz HUFMULYFRVXVLH-LVCYWYKZSA-N 1 0 436.560 3.221 20 0 IGADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2[nH]1 ZINC001164836794 720532426 /nfs/dbraw/zinc/53/24/26/720532426.db2.gz KXDUGLAXWZFBCM-SVFBPWRDSA-N 1 0 436.560 3.314 20 0 IGADRO CCOc1cc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2cc1OCC ZINC001164728097 720566444 /nfs/dbraw/zinc/56/64/44/720566444.db2.gz JGONWVDUFKDQHR-UHFFFAOYSA-N 1 0 436.560 3.282 20 0 IGADRO c1cn(Cc2ccccc2)c2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164730364 720568610 /nfs/dbraw/zinc/56/86/10/720568610.db2.gz VADNAYUJJQNFJB-UHFFFAOYSA-N 1 0 427.556 3.335 20 0 IGADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743398 720760011 /nfs/dbraw/zinc/76/00/11/720760011.db2.gz PVAYLBWCAHZENS-CVEARBPZSA-N 1 0 442.882 3.193 20 0 IGADRO c1cc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cs1 ZINC001164745390 720766393 /nfs/dbraw/zinc/76/63/93/720766393.db2.gz VNUDMFMOJPSLMW-ZWKOTPCHSA-N 1 0 430.537 3.490 20 0 IGADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164742289 720802034 /nfs/dbraw/zinc/80/20/34/720802034.db2.gz CTKNNFCPVXSFTI-AEFFLSMTSA-N 1 0 438.919 3.363 20 0 IGADRO O=C1[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2CN1Cc1ccncc1 ZINC001164851979 720810493 /nfs/dbraw/zinc/81/04/93/720810493.db2.gz MEYKJBQCEPRYAJ-BJKOFHAPSA-N 1 0 439.563 3.130 20 0 IGADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164742055 720815808 /nfs/dbraw/zinc/81/58/08/720815808.db2.gz PGIIPIJCLJLPTE-PCCBWWKXSA-N 1 0 438.576 3.008 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@H]32)nc1 ZINC001164848843 720822866 /nfs/dbraw/zinc/82/28/66/720822866.db2.gz NKVWGKLJAMYJJF-CZYKHXBRSA-N 1 0 428.577 3.309 20 0 IGADRO CSc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737726 720825521 /nfs/dbraw/zinc/82/55/21/720825521.db2.gz CGZKWWYJLBKMCQ-JFIYKMOQSA-N 1 0 441.630 3.384 20 0 IGADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741207 720827850 /nfs/dbraw/zinc/82/78/50/720827850.db2.gz MHNHFJVQLXMZNU-RVKKMQEKSA-N 1 0 440.901 3.390 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCC3 ZINC001164745771 720846722 /nfs/dbraw/zinc/84/67/22/720846722.db2.gz NHLXHSHYPCPQSO-NLWGTHIKSA-N 1 0 449.628 3.459 20 0 IGADRO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749705 720849438 /nfs/dbraw/zinc/84/94/38/720849438.db2.gz WPWLLXBHILOBLQ-MIZPHKNDSA-N 1 0 445.571 3.123 20 0 IGADRO Fc1ccc(-c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164745919 720850208 /nfs/dbraw/zinc/85/02/08/720850208.db2.gz OEGRYXYCTUGYGG-KJXAQDMKSA-N 1 0 433.535 3.254 20 0 IGADRO Fc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164752676 720852339 /nfs/dbraw/zinc/85/23/39/720852339.db2.gz UEGMMYHALFWWDG-YCRNBWNJSA-N 1 0 433.535 3.254 20 0 IGADRO CSc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750535 720876476 /nfs/dbraw/zinc/87/64/76/720876476.db2.gz JGWHZOLSGBVHAB-OFNKIYASSA-N 1 0 425.602 3.349 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164864283 720879441 /nfs/dbraw/zinc/87/94/41/720879441.db2.gz VHNXSEUZWCCCIK-YOEHRIQHSA-N 1 0 426.895 3.002 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC[C@H]2C1 ZINC001164859113 720883444 /nfs/dbraw/zinc/88/34/44/720883444.db2.gz LPZHQPVJBFPTND-ZWKOTPCHSA-N 1 0 441.557 3.034 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC[C@@H]2C1 ZINC001164858524 720888775 /nfs/dbraw/zinc/88/87/75/720888775.db2.gz KZYHCYGPVIYJFF-DNVCBOLYSA-N 1 0 436.915 3.235 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3OC)CC[C@@H]2C1 ZINC001164865030 720890257 /nfs/dbraw/zinc/89/02/57/720890257.db2.gz XZXUGOGBDFVXOK-OXQOHEQNSA-N 1 0 448.951 3.104 20 0 IGADRO Fc1cc(Cl)nnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749987 720890541 /nfs/dbraw/zinc/89/05/41/720890541.db2.gz BGPFFUGNMVIFBQ-PGRDOPGGSA-N 1 0 431.943 3.419 20 0 IGADRO Cc1noc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164749109 720926270 /nfs/dbraw/zinc/92/62/70/720926270.db2.gz HSZVOYVNZOBXBQ-YKSBVNFPSA-N 1 0 434.544 3.076 20 0 IGADRO COc1nc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164750151 720931772 /nfs/dbraw/zinc/93/17/72/720931772.db2.gz JJTSCNMWIJHWQB-RCZVLFRGSA-N 1 0 437.588 3.252 20 0 IGADRO 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CCOC(=O)c1cnc(Cl)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1Cl ZINC001164768291 721097719 /nfs/dbraw/zinc/09/77/19/721097719.db2.gz MTIQFUPMFRMEKS-HUUCEWRRSA-N 1 0 438.359 3.257 20 0 IGADRO CCOC(=O)c1cc2c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164866351 721107121 /nfs/dbraw/zinc/10/71/21/721107121.db2.gz SOGMCKSRYSZVFC-UXHICEINSA-N 1 0 449.555 3.231 20 0 IGADRO CC(C)(C)c1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001164872055 721128759 /nfs/dbraw/zinc/12/87/59/721128759.db2.gz GEVUNCGEFFUETA-UXHICEINSA-N 1 0 434.544 3.304 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164764987 721145724 /nfs/dbraw/zinc/14/57/24/721145724.db2.gz IRDOFSJKPGTMOC-FCHUYYIVSA-N 1 0 427.556 3.171 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164763408 721145840 /nfs/dbraw/zinc/14/58/40/721145840.db2.gz FORHUWCEGOCSSD-LEWJYISDSA-N 1 0 445.546 3.311 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3cc(CNC(=O)c4cccn4C)nc3C2)nc1 ZINC001164867193 721200242 /nfs/dbraw/zinc/20/02/42/721200242.db2.gz FHGXQHHVKQMAIJ-OAQYLSRUSA-N 1 0 447.587 3.114 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)C[C@@H]3C2)cn1 ZINC001164759471 721229477 /nfs/dbraw/zinc/22/94/77/721229477.db2.gz AMYJORRNUAPNIJ-MOPGFXCFSA-N 1 0 431.569 3.445 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C[C@H]3C2)cn1 ZINC001164769734 721233769 /nfs/dbraw/zinc/23/37/69/721233769.db2.gz ZLJYLFKDZIJWNC-FUHWJXTLSA-N 1 0 431.968 3.382 20 0 IGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)cc4ccc(F)cc43)CC2)C1 ZINC001164869897 721268395 /nfs/dbraw/zinc/26/83/95/721268395.db2.gz SSROEKQVLJIOMX-UHFFFAOYSA-N 1 0 434.943 3.034 20 0 IGADRO CCOC(=O)c1ccc(C)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776982 721331214 /nfs/dbraw/zinc/33/12/14/721331214.db2.gz JGEGYKRZQYISJC-DEOSSOPVSA-N 1 0 442.560 3.291 20 0 IGADRO 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COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(C)c1C(=O)OC)CC2 ZINC001164782369 721458867 /nfs/dbraw/zinc/45/88/67/721458867.db2.gz AKSQITWPMNVFJX-NRFANRHFSA-N 1 0 445.604 3.219 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(C)c1C(=O)OC)CC2 ZINC001164782371 721459138 /nfs/dbraw/zinc/45/91/38/721459138.db2.gz AKSQITWPMNVFJX-OAQYLSRUSA-N 1 0 445.604 3.219 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001164784106 721459991 /nfs/dbraw/zinc/45/99/91/721459991.db2.gz GWSJNHCOIXQBNK-GOSISDBHSA-N 1 0 444.954 3.409 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164783718 721461833 /nfs/dbraw/zinc/46/18/33/721461833.db2.gz GBRKYZOEFLSNSQ-LJQANCHMSA-N 1 0 445.995 3.412 20 0 IGADRO CCOC(=O)c1c(C)ccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164787491 721463587 /nfs/dbraw/zinc/46/35/87/721463587.db2.gz RBHKJITZDZDRON-OAQYLSRUSA-N 1 0 445.604 3.301 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164788120 721469584 /nfs/dbraw/zinc/46/95/84/721469584.db2.gz IFNCHLJCVQUQRB-JOCHJYFZSA-N 1 0 437.588 3.273 20 0 IGADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901455 721519008 /nfs/dbraw/zinc/51/90/08/721519008.db2.gz XPALCKOYFMMGOB-ZBFHGGJFSA-N 1 0 441.885 3.222 20 0 IGADRO CC(C)(C)OC(=O)Nc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164902062 721519332 /nfs/dbraw/zinc/51/93/32/721519332.db2.gz YWNQXCXXDKIEMB-SJLPKXTDSA-N 1 0 429.496 3.305 20 0 IGADRO CC(C)(C)OC(=O)Nc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164902063 721519799 /nfs/dbraw/zinc/51/97/99/721519799.db2.gz YWNQXCXXDKIEMB-WMZOPIPTSA-N 1 0 429.496 3.305 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4cccc5ccccc54)nn2)CC3)CC1 ZINC001164795376 721520632 /nfs/dbraw/zinc/52/06/32/721520632.db2.gz NWOXEMWNDRTXJK-UHFFFAOYSA-N 1 0 439.567 3.261 20 0 IGADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1OCC ZINC001164911284 721531834 /nfs/dbraw/zinc/53/18/34/721531834.db2.gz VYHRSJYHRKNWLA-PKOBYXMFSA-N 1 0 429.492 3.138 20 0 IGADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164912058 721533713 /nfs/dbraw/zinc/53/37/13/721533713.db2.gz YMJHTHDGYPJDGZ-ICSRJNTNSA-N 1 0 436.487 3.288 20 0 IGADRO CSc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n1)CCCC2 ZINC001164803011 721550606 /nfs/dbraw/zinc/55/06/06/721550606.db2.gz HDZRXNUOCJGCPV-PCCBWWKXSA-N 1 0 425.602 3.341 20 0 IGADRO Cc1cc(NC(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)no1 ZINC001164903538 721551487 /nfs/dbraw/zinc/55/14/87/721551487.db2.gz CCMCEVFYFKYXPB-MJGOQNOKSA-N 1 0 437.475 3.111 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164798118 721560249 /nfs/dbraw/zinc/56/02/49/721560249.db2.gz AHNRVQULRPIVRB-DYXWJJEUSA-N 1 0 444.963 3.483 20 0 IGADRO 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F[C@H](Oc1ccc(Cl)nn1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164910512 721738064 /nfs/dbraw/zinc/73/80/64/721738064.db2.gz FPPFHZZBKICEPP-ZWKOTPCHSA-N 1 0 427.858 3.390 20 0 IGADRO Cc1nc2sc3c(c2c(N2CCCC24CC[NH+](CC(=O)N(C)C)CC4)n1)CCCC3 ZINC001165010877 721744143 /nfs/dbraw/zinc/74/41/43/721744143.db2.gz QDUGHAZYLOUWTC-UHFFFAOYSA-N 1 0 427.618 3.402 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(F)c4c3C(=O)NC4)C[C@H]21 ZINC001165025355 721815423 /nfs/dbraw/zinc/81/54/23/721815423.db2.gz MUHCCHOLYFMPBJ-KBRIMQKVSA-N 1 0 429.927 3.249 20 0 IGADRO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025484 721820841 /nfs/dbraw/zinc/82/08/41/721820841.db2.gz MXIQZGJZRXZBQU-HFSMHLIXSA-N 1 0 448.571 3.277 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C[C@@H]21 ZINC001165025211 721831290 /nfs/dbraw/zinc/83/12/90/721831290.db2.gz MFPKKAZHAASVBV-RSPOEFSDSA-N 1 0 443.979 3.430 20 0 IGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC001164923098 721863508 /nfs/dbraw/zinc/86/35/08/721863508.db2.gz IBMQJKFCXNSYFF-RTBURBONSA-N 1 0 431.943 3.341 20 0 IGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939294 721923834 /nfs/dbraw/zinc/92/38/34/721923834.db2.gz GTVWCPOQXVIJIJ-UHFFFAOYSA-N 1 0 444.963 3.487 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(=O)N5CCCC5)ccn4)CC3)C2)cc1 ZINC001164940747 721928834 /nfs/dbraw/zinc/92/88/34/721928834.db2.gz ZUGAJMKYBDWDEB-UHFFFAOYSA-N 1 0 434.584 3.497 20 0 IGADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044343 721957777 /nfs/dbraw/zinc/95/77/77/721957777.db2.gz MGNCCEZNRVDWQZ-UHFFFAOYSA-N 1 0 432.503 3.215 20 0 IGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2C1 ZINC001164963339 722025196 /nfs/dbraw/zinc/02/51/96/722025196.db2.gz SJLDNCYNLZWGIC-HXUWFJFHSA-N 1 0 435.572 3.032 20 0 IGADRO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958064 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IGADRO COc1cccc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985551 722130692 /nfs/dbraw/zinc/13/06/92/722130692.db2.gz ZUIOMHWRXZCVIZ-URXFXBBRSA-N 1 0 431.540 3.275 20 0 IGADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982021 722134624 /nfs/dbraw/zinc/13/46/24/722134624.db2.gz QROAWYYNYMTUFP-LSDHHAIUSA-N 1 0 441.935 3.086 20 0 IGADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982019 722134696 /nfs/dbraw/zinc/13/46/96/722134696.db2.gz QROAWYYNYMTUFP-HUUCEWRRSA-N 1 0 441.935 3.086 20 0 IGADRO Clc1nc2c(Cl)nccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979684 722137926 /nfs/dbraw/zinc/13/79/26/722137926.db2.gz LSYCPITZRFFEAF-RDJZCZTQSA-N 1 0 445.354 3.454 20 0 IGADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164980879 722138461 /nfs/dbraw/zinc/13/84/61/722138461.db2.gz NHJLCAGAAIOKED-QPPBQGQZSA-N 1 0 444.583 3.352 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983312 722141351 /nfs/dbraw/zinc/14/13/51/722141351.db2.gz TYLBEAXEHZUASK-URXFXBBRSA-N 1 0 431.540 3.275 20 0 IGADRO COc1ccccc1-c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164985085 722141581 /nfs/dbraw/zinc/14/15/81/722141581.db2.gz ZELPULJERNHFIM-HYBUGGRVSA-N 1 0 431.540 3.275 20 0 IGADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980896 722145390 /nfs/dbraw/zinc/14/53/90/722145390.db2.gz NKHITMSFERZDRT-NVXWUHKLSA-N 1 0 448.905 3.279 20 0 IGADRO COC(=O)c1cccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164977097 722149777 /nfs/dbraw/zinc/14/97/77/722149777.db2.gz ISHDQROOVMDSNJ-WMZHIEFXSA-N 1 0 432.524 3.144 20 0 IGADRO Fc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccsc1 ZINC001164977211 722154330 /nfs/dbraw/zinc/15/43/30/722154330.db2.gz YGACMOUUOZXGBT-YLJYHZDGSA-N 1 0 425.533 3.467 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCC5)[nH+]c(C)n4)CC[C@@H]32)cs1 ZINC001164987081 722176023 /nfs/dbraw/zinc/17/60/23/722176023.db2.gz MJJNLRKOLJBHOS-PMACEKPBSA-N 1 0 428.606 3.020 20 0 IGADRO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995527 722196790 /nfs/dbraw/zinc/19/67/90/722196790.db2.gz VFOOHLLJDJEBKM-OAQYLSRUSA-N 1 0 431.537 3.154 20 0 IGADRO CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@H]2C1 ZINC001164994318 722214638 /nfs/dbraw/zinc/21/46/38/722214638.db2.gz ALRJLLFZQVSDIU-XWGVYQGASA-N 1 0 434.584 3.148 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc1 ZINC001165002261 722239833 /nfs/dbraw/zinc/23/98/33/722239833.db2.gz SFQCVGGEILWVTQ-XMMPIXPASA-N 1 0 449.647 3.166 20 0 IGADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415535 718885516 /nfs/dbraw/zinc/88/55/16/718885516.db2.gz JPHOEGGPLNRYRC-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO Fc1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)c1 ZINC001164414984 718885999 /nfs/dbraw/zinc/88/59/99/718885999.db2.gz CMBVWHZVHUYKFN-UHFFFAOYSA-N 1 0 449.868 3.171 20 0 IGADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164426322 718914285 /nfs/dbraw/zinc/91/42/85/718914285.db2.gz ZVXTUZCSNBOSSE-QGZVFWFLSA-N 1 0 433.286 3.067 20 0 IGADRO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164426122 718918214 /nfs/dbraw/zinc/91/82/14/718918214.db2.gz WSANAKAWGQKHQZ-HXUWFJFHSA-N 1 0 439.890 3.412 20 0 IGADRO Fc1ccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164424075 718920050 /nfs/dbraw/zinc/92/00/50/718920050.db2.gz KNNFLQYWNXXWBR-IBGZPJMESA-N 1 0 442.869 3.066 20 0 IGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)CC3)[C@@H]2C)n1 ZINC001164428918 718951980 /nfs/dbraw/zinc/95/19/80/718951980.db2.gz MAFOKNXNXUUYJZ-FQEVSTJZSA-N 1 0 449.599 3.166 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164620318 719009264 /nfs/dbraw/zinc/00/92/64/719009264.db2.gz YHNDCRVYISPJFV-FOIQADDNSA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164616815 719014124 /nfs/dbraw/zinc/01/41/24/719014124.db2.gz LSFKZOSEOXOWJK-BIGNPOOSSA-N 1 0 447.269 3.091 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001164617553 719018422 /nfs/dbraw/zinc/01/84/22/719018422.db2.gz ONPAOXTYZLPUEA-LEWSCRJBSA-N 1 0 428.892 3.133 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164618838 719019548 /nfs/dbraw/zinc/01/95/48/719019548.db2.gz UBWKXJFNSCPDMZ-FHLIZLRMSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc([C@@H](CC(=O)OC)C4CC4)ccn3)CC2)CC1 ZINC001164618589 719030576 /nfs/dbraw/zinc/03/05/76/719030576.db2.gz ZEIOYEYLDXLIEG-QFIPXVFZSA-N 1 0 443.588 3.382 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164623889 719043499 /nfs/dbraw/zinc/04/34/99/719043499.db2.gz NEBVHRUPULSKBI-OXJNMPFZSA-N 1 0 436.890 3.435 20 0 IGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)C1 ZINC001164626723 719098035 /nfs/dbraw/zinc/09/80/35/719098035.db2.gz IPGRLGIFEHEMHD-DNVJHFABSA-N 1 0 449.599 3.357 20 0 IGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)C1 ZINC001164626727 719098370 /nfs/dbraw/zinc/09/83/70/719098370.db2.gz IPGRLGIFEHEMHD-ZLNRFVROSA-N 1 0 449.599 3.357 20 0 IGADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001164632955 719171409 /nfs/dbraw/zinc/17/14/09/719171409.db2.gz GAIBVQVZWCFKFB-LSDHHAIUSA-N 1 0 433.965 3.159 20 0 IGADRO Fc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164646284 719296681 /nfs/dbraw/zinc/29/66/81/719296681.db2.gz ACMAFIQQWAMJAW-VWNXMTODSA-N 1 0 426.536 3.102 20 0 IGADRO Fc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164646282 719296842 /nfs/dbraw/zinc/29/68/42/719296842.db2.gz ACMAFIQQWAMJAW-UPVQGACJSA-N 1 0 426.536 3.102 20 0 IGADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164675181 719440902 /nfs/dbraw/zinc/44/09/02/719440902.db2.gz ZMXNDFCLNPVMDT-MSOLQXFVSA-N 1 0 427.618 3.075 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164684985 719609067 /nfs/dbraw/zinc/60/90/67/719609067.db2.gz PQVYIHPAAHBDHM-UHFFFAOYSA-N 1 0 439.942 3.010 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c3CCC4)CC2)c2ccccc21 ZINC001164681399 719659710 /nfs/dbraw/zinc/65/97/10/719659710.db2.gz NPSYDCJOUHBULC-IBGZPJMESA-N 1 0 433.600 3.059 20 0 IGADRO Cc1cc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2[nH]1 ZINC001164682776 719672014 /nfs/dbraw/zinc/67/20/14/719672014.db2.gz POPVWQLWNAQAPE-LJQANCHMSA-N 1 0 446.599 3.360 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4c(n3)CCCC4)CC2)c2ccccc21 ZINC001164686441 719681202 /nfs/dbraw/zinc/68/12/02/719681202.db2.gz MPHBTSNUYRRRFR-FQEVSTJZSA-N 1 0 447.627 3.449 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(OC)cc1)CC2 ZINC001164689320 719756496 /nfs/dbraw/zinc/75/64/96/719756496.db2.gz ATOXZJKWXDJLSZ-UHFFFAOYSA-N 1 0 445.951 3.112 20 0 IGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)nc1 ZINC001164695443 719835664 /nfs/dbraw/zinc/83/56/64/719835664.db2.gz MYOOGJXICCHQDC-GGAORHGYSA-N 1 0 447.587 3.473 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)nc1 ZINC001164704184 719924663 /nfs/dbraw/zinc/92/46/63/719924663.db2.gz OPJVANAPMRASRS-KAOXLYBCSA-N 1 0 442.604 3.271 20 0 IGADRO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2cc(C[NH+](C)C)ccn2)CC3)c1 ZINC001164712341 720088470 /nfs/dbraw/zinc/08/84/70/720088470.db2.gz OVZMZZPNULGJCZ-UHFFFAOYSA-N 1 0 437.569 3.466 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(SC)n1)CC2 ZINC001164718556 720107035 /nfs/dbraw/zinc/10/70/35/720107035.db2.gz SETKMMZYSFTQKG-INIZCTEOSA-N 1 0 434.997 3.149 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164807486 720111303 /nfs/dbraw/zinc/11/13/03/720111303.db2.gz CNIKMTQZTCDODC-MGPUTAFESA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c(F)cc1C(=O)OC)CC2 ZINC001164719079 720119075 /nfs/dbraw/zinc/11/90/75/720119075.db2.gz VLTLWPVTMSEFNC-LJQANCHMSA-N 1 0 442.535 3.218 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c(F)cc1C(=O)OC)CC2 ZINC001164719078 720119307 /nfs/dbraw/zinc/11/93/07/720119307.db2.gz VLTLWPVTMSEFNC-IBGZPJMESA-N 1 0 442.535 3.218 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(N3CCCCC3)n1)CC2 ZINC001164714155 720128309 /nfs/dbraw/zinc/12/83/09/720128309.db2.gz WMYBDFHKTAEMGC-JOCHJYFZSA-N 1 0 436.604 3.369 20 0 IGADRO CCOC(=O)Cc1ccnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164715085 720156925 /nfs/dbraw/zinc/15/69/25/720156925.db2.gz SNWPMFUZQAZCGT-QFIPXVFZSA-N 1 0 438.572 3.090 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)C2 ZINC001164817892 720158180 /nfs/dbraw/zinc/15/81/80/720158180.db2.gz QQYPQMRSSNGWGR-WRALFONMSA-N 1 0 427.589 3.323 20 0 IGADRO CC(C)c1cc2c(ncnc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)s1 ZINC001164716037 720165374 /nfs/dbraw/zinc/16/53/74/720165374.db2.gz XDYHTROYIFTXPB-GOSISDBHSA-N 1 0 441.605 3.159 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164814435 720171610 /nfs/dbraw/zinc/17/16/10/720171610.db2.gz GLEMDDXYFKSMGN-NLFFAJNJSA-N 1 0 436.556 3.100 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)C2 ZINC001164814405 720182255 /nfs/dbraw/zinc/18/22/55/720182255.db2.gz GCJNQBFANUMWRC-UQBPGWFLSA-N 1 0 438.572 3.346 20 0 IGADRO Cc1nc(C2CCCCC2)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164713732 720194252 /nfs/dbraw/zinc/19/42/52/720194252.db2.gz CTXGHVODOVXSFQ-JOCHJYFZSA-N 1 0 439.608 3.177 20 0 IGADRO CSc1nc2sccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164815171 720213372 /nfs/dbraw/zinc/21/33/72/720213372.db2.gz WRSLQJMLLNRWKJ-UHFFFAOYSA-N 1 0 430.603 3.220 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(F)c1)CCC2 ZINC001164813430 720220318 /nfs/dbraw/zinc/22/03/18/720220318.db2.gz LZHYJSUVUJFQHM-UHFFFAOYSA-N 1 0 429.874 3.226 20 0 IGADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164816903 720244059 /nfs/dbraw/zinc/24/40/59/720244059.db2.gz NVWLNZOBMAPCRG-UHFFFAOYSA-N 1 0 436.535 3.398 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC001164820234 720268400 /nfs/dbraw/zinc/26/84/00/720268400.db2.gz VETZKWLZNMOMGH-JTHBVZDNSA-N 1 0 436.604 3.474 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2F)CC1 ZINC001164822548 720293452 /nfs/dbraw/zinc/29/34/52/720293452.db2.gz MYQILMZEXZHPMG-CVEARBPZSA-N 1 0 430.902 3.331 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(F)c(Cl)n2)CC1 ZINC001164824563 720299637 /nfs/dbraw/zinc/29/96/37/720299637.db2.gz RMJFUZYVZVWXPV-JKSUJKDBSA-N 1 0 430.902 3.331 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Oc2cccnc2Cl)CC1 ZINC001164825261 720305184 /nfs/dbraw/zinc/30/51/84/720305184.db2.gz SXFGFXIROCCSDB-JKSUJKDBSA-N 1 0 428.911 3.071 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2)CC1 ZINC001164828197 720307628 /nfs/dbraw/zinc/30/76/28/720307628.db2.gz YXSSGYGGMAUVNE-IAGOWNOFSA-N 1 0 428.911 3.071 20 0 IGADRO COc1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001164826725 720312683 /nfs/dbraw/zinc/31/26/83/720312683.db2.gz WISLXGWFFITLNR-UXHICEINSA-N 1 0 443.979 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c(F)cccc32)CC1 ZINC001164822612 720314018 /nfs/dbraw/zinc/31/40/18/720314018.db2.gz NMAZHZAIQHJEAL-ZWKOTPCHSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2CN2CCCC2)CC1 ZINC001164825451 720323593 /nfs/dbraw/zinc/32/35/93/720323593.db2.gz FEMHPLAKJDSOLC-RTWAWAEBSA-N 1 0 446.039 3.242 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCC(=O)N(C)C)CC[C@H]32)nc1 ZINC001164727239 720324502 /nfs/dbraw/zinc/32/45/02/720324502.db2.gz RVYGVSBIMASUNU-AFXVXQJMSA-N 1 0 444.620 3.250 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncn2)cc1 ZINC001164828397 720342392 /nfs/dbraw/zinc/34/23/92/720342392.db2.gz OPOQOXPURNFMNZ-XZOQPEGZSA-N 1 0 435.572 3.064 20 0 IGADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828804 720349363 /nfs/dbraw/zinc/34/93/63/720349363.db2.gz PYKHBAXFMMUUKM-XZOQPEGZSA-N 1 0 449.599 3.276 20 0 IGADRO CSc1ccc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164821545 720351720 /nfs/dbraw/zinc/35/17/20/720351720.db2.gz AQFHIFJXCKZPJY-SFTDATJTSA-N 1 0 425.602 3.263 20 0 IGADRO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164827066 720417855 /nfs/dbraw/zinc/41/78/55/720417855.db2.gz QSQFJHKNAFEMSX-SGNDLWITSA-N 1 0 448.611 3.253 20 0 IGADRO c1ccc(N2CCN(c3cc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730080 720460683 /nfs/dbraw/zinc/46/06/83/720460683.db2.gz HQQCJQFGVPEYCW-BJKOFHAPSA-N 1 0 441.583 3.051 20 0 IGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)C1 ZINC001164733867 720529044 /nfs/dbraw/zinc/52/90/44/720529044.db2.gz MAFSDTMMNNCYPA-YCRPNKLZSA-N 1 0 430.915 3.319 20 0 IGADRO COc1cc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164841437 720536985 /nfs/dbraw/zinc/53/69/85/720536985.db2.gz VUBRADZCXYRKDM-WAOWUJCRSA-N 1 0 436.560 3.221 20 0 IGADRO O=C(c1cc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1)N1CCCCC1 ZINC001164733784 720553896 /nfs/dbraw/zinc/55/38/96/720553896.db2.gz SGTUGLVWSMHVML-UHFFFAOYSA-N 1 0 442.995 3.216 20 0 IGADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164837748 720582591 /nfs/dbraw/zinc/58/25/91/720582591.db2.gz JCQSMUAWKFWPAO-YQVWRLOYSA-N 1 0 431.968 3.486 20 0 IGADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843179 720646268 /nfs/dbraw/zinc/64/62/68/720646268.db2.gz UORUFZSPNYGZPE-BFYDXBDKSA-N 1 0 440.926 3.258 20 0 IGADRO CN1CCc2nc(Cl)nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2C1 ZINC001164836488 720726482 /nfs/dbraw/zinc/72/64/82/720726482.db2.gz BJTPTQJKNSMPEN-LJQANCHMSA-N 1 0 442.007 3.378 20 0 IGADRO COC(=O)c1ccc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(Cl)n1 ZINC001164836123 720738783 /nfs/dbraw/zinc/73/87/83/720738783.db2.gz APHHLQVDZXWJEA-UHFFFAOYSA-N 1 0 439.894 3.315 20 0 IGADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743400 720760053 /nfs/dbraw/zinc/76/00/53/720760053.db2.gz PVAYLBWCAHZENS-HOTGVXAUSA-N 1 0 442.882 3.193 20 0 IGADRO O=C1[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2CN1Cc1ccncc1 ZINC001164851982 720810633 /nfs/dbraw/zinc/81/06/33/720810633.db2.gz MEYKJBQCEPRYAJ-DNQXCXABSA-N 1 0 439.563 3.130 20 0 IGADRO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745993 720820678 /nfs/dbraw/zinc/82/06/78/720820678.db2.gz XRFYIZRUUVCRGZ-SOLBZPMBSA-N 1 0 438.910 3.131 20 0 IGADRO FC(F)(Oc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738786 720820990 /nfs/dbraw/zinc/82/09/90/720820990.db2.gz GNCWLIOVBBZFIV-BRWVUGGUSA-N 1 0 438.910 3.131 20 0 IGADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737386 720827229 /nfs/dbraw/zinc/82/72/29/720827229.db2.gz ASACVSKRXLHMBE-BFYDXBDKSA-N 1 0 440.901 3.390 20 0 IGADRO CCc1c(Cl)nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1CC ZINC001164743291 720829918 /nfs/dbraw/zinc/82/99/18/720829918.db2.gz RYAOIVSEEREMPN-FUHIMQAGSA-N 1 0 430.000 3.226 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@H]2C1 ZINC001164855920 720842766 /nfs/dbraw/zinc/84/27/66/720842766.db2.gz VONYTTZUJYEEGN-BBRMVZONSA-N 1 0 444.885 3.141 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164745154 720846243 /nfs/dbraw/zinc/84/62/43/720846243.db2.gz LWFDSCZXVQFHRZ-AWRGLXIESA-N 1 0 445.571 3.123 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164739957 720847740 /nfs/dbraw/zinc/84/77/40/720847740.db2.gz BDAOGOJTTQTVHH-ZFGGDYGUSA-N 1 0 445.571 3.123 20 0 IGADRO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744647 720850814 /nfs/dbraw/zinc/85/08/14/720850814.db2.gz LABSMUIOUUJJRN-TWOQFEAHSA-N 1 0 441.942 3.393 20 0 IGADRO COc1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1F ZINC001164744688 720858525 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YERVUBFAMHEJGU-FXAWDEMLSA-N 1 0 432.952 3.404 20 0 IGADRO CSc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755259 720923651 /nfs/dbraw/zinc/92/36/51/720923651.db2.gz ZZRIVSOUMQTPHB-NZQKXSOJSA-N 1 0 425.602 3.349 20 0 IGADRO Cc1noc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164749107 720925474 /nfs/dbraw/zinc/92/54/74/720925474.db2.gz HSZVOYVNZOBXBQ-RDPSFJRHSA-N 1 0 434.544 3.076 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164757350 721000102 /nfs/dbraw/zinc/00/01/02/721000102.db2.gz OMBPJWPRANFFRE-GXRSIYKFSA-N 1 0 429.609 3.131 20 0 IGADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@H]2C1 ZINC001164760080 721023135 /nfs/dbraw/zinc/02/31/35/721023135.db2.gz NUGJHBREKKCZRS-AQNXPRMDSA-N 1 0 428.964 3.409 20 0 IGADRO COc1cc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc(S(C)(=O)=O)n1 ZINC001164760510 721043954 /nfs/dbraw/zinc/04/39/54/721043954.db2.gz VIHSGMVYSDYVHA-UHFFFAOYSA-N 1 0 444.601 3.080 20 0 IGADRO COCc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164865857 721051323 /nfs/dbraw/zinc/05/13/23/721051323.db2.gz APVCQYMHTWBYLB-PKTZIBPZSA-N 1 0 431.540 3.165 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871474 721072843 /nfs/dbraw/zinc/07/28/43/721072843.db2.gz YYZSWKMLQMFWGW-MSOLQXFVSA-N 1 0 430.936 3.095 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1Cl ZINC001164768278 721097801 /nfs/dbraw/zinc/09/78/01/721097801.db2.gz MTIQFUPMFRMEKS-CABCVRRESA-N 1 0 438.359 3.257 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164866193 721098070 /nfs/dbraw/zinc/09/80/70/721098070.db2.gz RUEYRKTWXARRMP-SJORKVTESA-N 1 0 425.920 3.167 20 0 IGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867221 721101483 /nfs/dbraw/zinc/10/14/83/721101483.db2.gz XAZYTGVYQRQDBJ-UXHICEINSA-N 1 0 443.979 3.092 20 0 IGADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878426 721157306 /nfs/dbraw/zinc/15/73/06/721157306.db2.gz QCJYFTSZIXNVGW-LSDHHAIUSA-N 1 0 434.878 3.031 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C[C@@H]3C2)cn1 ZINC001164764784 721229080 /nfs/dbraw/zinc/22/90/80/721229080.db2.gz QESUZVSGNXIZDQ-CVEARBPZSA-N 1 0 449.893 3.022 20 0 IGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nc4ccc(F)cc43)CC2)C1 ZINC001164869910 721268509 /nfs/dbraw/zinc/26/85/09/721268509.db2.gz UKJZMLROABEXOV-UHFFFAOYSA-N 1 0 434.943 3.034 20 0 IGADRO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]2C1 ZINC001164876609 721298631 /nfs/dbraw/zinc/29/86/31/721298631.db2.gz JPDDPNHJVYNQSQ-FPOVZHCZSA-N 1 0 426.586 3.106 20 0 IGADRO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164775350 721308609 /nfs/dbraw/zinc/30/86/09/721308609.db2.gz CFSOVDDOPXDOFD-UHFFFAOYSA-N 1 0 435.572 3.064 20 0 IGADRO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(Cl)nc2c1 ZINC001164888934 721407062 /nfs/dbraw/zinc/40/70/62/721407062.db2.gz PPXXNKVIJOYHOZ-FDDCHVKYSA-N 1 0 429.996 3.357 20 0 IGADRO CSc1nc2ccsc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891952 721407273 /nfs/dbraw/zinc/40/72/73/721407273.db2.gz WYHKHUKNHXAFKV-HRAATJIYSA-N 1 0 433.647 3.179 20 0 IGADRO Cc1cccc2c(Cl)nnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164885257 721408598 /nfs/dbraw/zinc/40/85/98/721408598.db2.gz GJDYFKSSNWKJMO-MBSDFSHPSA-N 1 0 429.996 3.357 20 0 IGADRO Cc1sc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164891926 721409421 /nfs/dbraw/zinc/40/94/21/721409421.db2.gz WQWHNHSLVBINLO-WMZHIEFXSA-N 1 0 429.634 3.382 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4F)C3)O2)CC1 ZINC001164886677 721410114 /nfs/dbraw/zinc/41/01/14/721410114.db2.gz KSMBAAUTEZJEGP-KXBFYZLASA-N 1 0 432.918 3.184 20 0 IGADRO Cc1nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)c1C ZINC001164883896 721421231 /nfs/dbraw/zinc/42/12/31/721421231.db2.gz CKGCDUDYJCLBDA-YLJYHZDGSA-N 1 0 443.970 3.057 20 0 IGADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886283 721421347 /nfs/dbraw/zinc/42/13/47/721421347.db2.gz IPSBFXKMQKEMMO-PXNSSMCTSA-N 1 0 428.955 3.354 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164890247 721427858 /nfs/dbraw/zinc/42/78/58/721427858.db2.gz CQVGCZNONBOMQD-ZJSXRUAMSA-N 1 0 441.551 3.173 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(F)cc5ncnc(Cl)c54)C3)O2)CC1 ZINC001164892365 721428758 /nfs/dbraw/zinc/42/87/58/721428758.db2.gz IGVOPBSYAMKHRQ-VGOFRKELSA-N 1 0 433.959 3.188 20 0 IGADRO CCc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164894429 721440739 /nfs/dbraw/zinc/44/07/39/721440739.db2.gz MOLMXXAQOFTUHX-JYFHCDHNSA-N 1 0 435.616 3.471 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5F)nn4)C3)O2)CC1 ZINC001164899171 721441577 /nfs/dbraw/zinc/44/15/77/721441577.db2.gz YBNFJRGPEXNXAW-CYFREDJKSA-N 1 0 425.552 3.048 20 0 IGADRO CSc1ccc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886525 721447005 /nfs/dbraw/zinc/44/70/05/721447005.db2.gz GYJSWKWUEBLNJP-MBSDFSHPSA-N 1 0 427.618 3.117 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3nc(C)n(C)c3n1)CC2 ZINC001164784012 721459984 /nfs/dbraw/zinc/45/99/84/721459984.db2.gz GQACWNMPPOOLOT-HXUWFJFHSA-N 1 0 427.593 3.011 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3ccc(OC)cc3n1)CC2 ZINC001164788588 721459993 /nfs/dbraw/zinc/45/99/93/721459993.db2.gz ULBQCZYSOMCUIA-HXUWFJFHSA-N 1 0 440.588 3.372 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164782721 721464117 /nfs/dbraw/zinc/46/41/17/721464117.db2.gz BDQGELDTYFOGPY-KRWDZBQOSA-N 1 0 433.984 3.345 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC001164790688 721467487 /nfs/dbraw/zinc/46/74/87/721467487.db2.gz UVLWJPCYLLOELH-HXUWFJFHSA-N 1 0 441.576 3.174 20 0 IGADRO COC(=O)c1cc2c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164908810 721545690 /nfs/dbraw/zinc/54/56/90/721545690.db2.gz QQRIZYUWZNKVAV-ZBFHGGJFSA-N 1 0 444.894 3.484 20 0 IGADRO COC(=O)c1cc2c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164908807 721546020 /nfs/dbraw/zinc/54/60/20/721546020.db2.gz QQRIZYUWZNKVAV-GDBMZVCRSA-N 1 0 444.894 3.484 20 0 IGADRO CSc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n1)CCCC2 ZINC001164803013 721551165 /nfs/dbraw/zinc/55/11/65/721551165.db2.gz HDZRXNUOCJGCPV-QHAWAJNXSA-N 1 0 425.602 3.341 20 0 IGADRO COc1cc2nc(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC ZINC001164810531 721555908 /nfs/dbraw/zinc/55/59/08/721555908.db2.gz YQQJXZFHXJTLTI-ZFGGDYGUSA-N 1 0 449.555 3.219 20 0 IGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)CC[N@@H+]3C2)c1 ZINC001164911078 721561657 /nfs/dbraw/zinc/56/16/57/721561657.db2.gz YHFGKRWYOMIASH-TZMCWYRMSA-N 1 0 435.290 3.208 20 0 IGADRO CCOC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1Cl ZINC001164800258 721570728 /nfs/dbraw/zinc/57/07/28/721570728.db2.gz DLHHBEPJUWUWEV-WFXMLNOXSA-N 1 0 430.936 3.175 20 0 IGADRO O=C(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)N1CCCC1 ZINC001164901769 721583246 /nfs/dbraw/zinc/58/32/46/721583246.db2.gz AKZFAHHBGGWQRL-QHCPKHFHSA-N 1 0 441.526 3.450 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164802570 721584883 /nfs/dbraw/zinc/58/48/83/721584883.db2.gz GMKVJAPKSYFLDR-RJGXRXQPSA-N 1 0 430.556 3.419 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)nc1 ZINC001164799753 721606789 /nfs/dbraw/zinc/60/67/89/721606789.db2.gz BPEANRDCCBIODG-BWKNWUBXSA-N 1 0 436.604 3.471 20 0 IGADRO Cc1nc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164907405 721697025 /nfs/dbraw/zinc/69/70/25/721697025.db2.gz SGMWBYIRQKXUHH-LJQANCHMSA-N 1 0 433.894 3.447 20 0 IGADRO COC(=O)c1cc(F)c(C)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905678 721705428 /nfs/dbraw/zinc/70/54/28/721705428.db2.gz IJCFBHSRZALZMP-OAQYLSRUSA-N 1 0 434.462 3.448 20 0 IGADRO C[C@@H]1CC(=O)Nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164906649 721706443 /nfs/dbraw/zinc/70/64/43/721706443.db2.gz NMYILNXCQSAXDL-VFNWGFHPSA-N 1 0 428.487 3.055 20 0 IGADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(OC)c1 ZINC001164906458 721712189 /nfs/dbraw/zinc/71/21/89/721712189.db2.gz MAQAWCJMFSZUKZ-QFIPXVFZSA-N 1 0 446.498 3.400 20 0 IGADRO COc1cnc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904251 721718885 /nfs/dbraw/zinc/71/88/85/721718885.db2.gz AYLPKIZDMCXPOH-NRFANRHFSA-N 1 0 426.471 3.166 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001165009476 721745463 /nfs/dbraw/zinc/74/54/63/721745463.db2.gz FPHWDBQDSQOVIK-UHFFFAOYSA-N 1 0 430.556 3.215 20 0 IGADRO CCOC(=O)c1nnc(Cl)cc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025949 721809986 /nfs/dbraw/zinc/80/99/86/721809986.db2.gz OLEGZMDCSFFREG-JQHSSLGASA-N 1 0 429.952 3.439 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3N3CCOCC3)C[C@@H]21 ZINC001165028962 721813091 /nfs/dbraw/zinc/81/30/91/721813091.db2.gz YFDDFYAWPKLCGK-YSIASYRMSA-N 1 0 442.995 3.099 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(CN3CCOCC3)cn2)CC1 ZINC001165021469 721838573 /nfs/dbraw/zinc/83/85/73/721838573.db2.gz NASSCPCNRWEIFE-UHFFFAOYSA-N 1 0 440.588 3.032 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3nc(C)[nH]c32)CC1 ZINC001165019353 721839956 /nfs/dbraw/zinc/83/99/56/721839956.db2.gz FAAGDIZQSWUZAW-UHFFFAOYSA-N 1 0 430.940 3.433 20 0 IGADRO COC(=O)c1cc(F)c(C)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021292 721841140 /nfs/dbraw/zinc/84/11/40/721841140.db2.gz KXKJCTVQKSFUJE-UHFFFAOYSA-N 1 0 431.508 3.434 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc3c2CNC3=O)CC1 ZINC001165021257 721842074 /nfs/dbraw/zinc/84/20/74/721842074.db2.gz JQFPVBCQQYBLLN-UHFFFAOYSA-N 1 0 430.936 3.096 20 0 IGADRO COC(=O)c1nc(Cl)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165031029 721844112 /nfs/dbraw/zinc/84/41/12/721844112.db2.gz OUVINASWTGIRKK-UHFFFAOYSA-N 1 0 434.924 3.035 20 0 IGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001164929423 721879595 /nfs/dbraw/zinc/87/95/95/721879595.db2.gz BGSIJTADGUTBJL-RTBURBONSA-N 1 0 434.613 3.457 20 0 IGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC001164929418 721879717 /nfs/dbraw/zinc/87/97/17/721879717.db2.gz BGSIJTADGUTBJL-RBUKOAKNSA-N 1 0 434.613 3.457 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1 ZINC001164937298 721919423 /nfs/dbraw/zinc/91/94/23/721919423.db2.gz BEPKSTIBEXEZSW-RQTOMXEWSA-N 1 0 442.604 3.005 20 0 IGADRO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960519 722051897 /nfs/dbraw/zinc/05/18/97/722051897.db2.gz QYXZHRISHUMTJE-UHFFFAOYSA-N 1 0 444.963 3.426 20 0 IGADRO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164964660 722054424 /nfs/dbraw/zinc/05/44/24/722054424.db2.gz WKZVAABUWUKDPH-UHFFFAOYSA-N 1 0 426.952 3.434 20 0 IGADRO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164961649 722057869 /nfs/dbraw/zinc/05/78/69/722057869.db2.gz NQKDRLPNTYICJU-GQCTYLIASA-N 1 0 436.556 3.172 20 0 IGADRO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962465 722058190 /nfs/dbraw/zinc/05/81/90/722058190.db2.gz SFFKJYAXDQLVMV-UHFFFAOYSA-N 1 0 437.588 3.124 20 0 IGADRO CC1CCN(c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)CC1 ZINC001164960002 722060023 /nfs/dbraw/zinc/06/00/23/722060023.db2.gz CIRHDSZHFJBIDS-UHFFFAOYSA-N 1 0 436.604 3.227 20 0 IGADRO FC(F)(Oc1cnc(Cl)cn1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966915 722062286 /nfs/dbraw/zinc/06/22/86/722062286.db2.gz YZVLOWGLDLXBKK-UHFFFAOYSA-N 1 0 439.894 3.069 20 0 IGADRO C[N@H+](Cc1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164968584 722082550 /nfs/dbraw/zinc/08/25/50/722082550.db2.gz DUPJVUGVRZHIOX-XZOQPEGZSA-N 1 0 438.547 3.069 20 0 IGADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CSCC2 ZINC001164979995 722104123 /nfs/dbraw/zinc/10/41/23/722104123.db2.gz IQNNPOPKMBPNFO-QFBILLFUSA-N 1 0 431.993 3.042 20 0 IGADRO CSc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164981839 722113980 /nfs/dbraw/zinc/11/39/80/722113980.db2.gz VIJOXCFJQBTWQP-GHTZIAJQSA-N 1 0 425.602 3.200 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164983766 722122354 /nfs/dbraw/zinc/12/23/54/722122354.db2.gz ZZGUVYIYLKXMRF-YLJYHZDGSA-N 1 0 439.947 3.414 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164972442 722123602 /nfs/dbraw/zinc/12/36/02/722123602.db2.gz FJQPCRMFCWBHHD-YLJYHZDGSA-N 1 0 439.947 3.414 20 0 IGADRO COc1cc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164974044 722126926 /nfs/dbraw/zinc/12/69/26/722126926.db2.gz IHKCNGJZYURZGF-HYBUGGRVSA-N 1 0 434.540 3.374 20 0 IGADRO c1ccc2c(c1)CCc1cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc1-2 ZINC001164982289 722134517 /nfs/dbraw/zinc/13/45/17/722134517.db2.gz RNVYZQOSMSFYAI-VWNXMTODSA-N 1 0 427.552 3.365 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164973385 722140162 /nfs/dbraw/zinc/14/01/62/722140162.db2.gz CAYTWHUUAHENNE-URXFXBBRSA-N 1 0 431.540 3.275 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983313 722141751 /nfs/dbraw/zinc/14/17/51/722141751.db2.gz TYLBEAXEHZUASK-XUZZJYLKSA-N 1 0 431.540 3.275 20 0 IGADRO Clc1cc(-c2ccncc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971602 722153989 /nfs/dbraw/zinc/15/39/89/722153989.db2.gz CFKWRGUNISGHFO-CTNGQTDRSA-N 1 0 436.947 3.314 20 0 IGADRO NC(=S)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2sccc21 ZINC001164972234 722158040 /nfs/dbraw/zinc/15/80/40/722158040.db2.gz HLJREFZNFKBFIU-LPHOPBHVSA-N 1 0 439.610 3.053 20 0 IGADRO O=S(=O)(c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1)N1CCCC1 ZINC001164994041 722208158 /nfs/dbraw/zinc/20/81/58/722208158.db2.gz DRWXRYLRPOBXKJ-HSZRJFAPSA-N 1 0 444.576 3.250 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccnc(Cl)c3)ccn1)CCC2 ZINC001164999800 722251929 /nfs/dbraw/zinc/25/19/29/722251929.db2.gz GCCVMKTUYNCDBN-UHFFFAOYSA-N 1 0 426.952 3.482 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nnc1-c1ccccc1)CCC2 ZINC001165002389 722253772 /nfs/dbraw/zinc/25/37/72/722253772.db2.gz OSWDKOYJDCBODP-UHFFFAOYSA-N 1 0 426.952 3.482 20 0 IGADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)c2ccccc21 ZINC001164390771 718823721 /nfs/dbraw/zinc/82/37/21/718823721.db2.gz QQPRLVKRPVZMDL-SJLPKXTDSA-N 1 0 433.890 3.401 20 0 IGADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c2ccccc21 ZINC001164390772 718823803 /nfs/dbraw/zinc/82/38/03/718823803.db2.gz QQPRLVKRPVZMDL-WMZOPIPTSA-N 1 0 433.890 3.401 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164408488 718864159 /nfs/dbraw/zinc/86/41/59/718864159.db2.gz MEXSEYDGMRFAPC-LMMKCTJWSA-N 1 0 441.645 3.227 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[NH2+]CC[C@@H]43)c2c1C ZINC001164412555 718876286 /nfs/dbraw/zinc/87/62/86/718876286.db2.gz WQEOGTAKORDIJH-HOTGVXAUSA-N 1 0 429.590 3.103 20 0 IGADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415410 718885593 /nfs/dbraw/zinc/88/55/93/718885593.db2.gz IGNQGQRLFAFERA-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164615253 719008343 /nfs/dbraw/zinc/00/83/43/719008343.db2.gz HVWKHZWOMOOBFC-FZKQIMNGSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164620322 719009572 /nfs/dbraw/zinc/00/95/72/719009572.db2.gz YHNDCRVYISPJFV-QRWLVFNGSA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164616063 719013840 /nfs/dbraw/zinc/01/38/40/719013840.db2.gz KIPKOAXWKOBTHX-BIGNPOOSSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)N4CCC[C@H](C)C4)cn3)CC2)CC1 ZINC001164617444 719031215 /nfs/dbraw/zinc/03/12/15/719031215.db2.gz KHINIPTYCQRZNV-IBGZPJMESA-N 1 0 442.604 3.198 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4cc(OC)c(OC)cc4cn3)CC2)CC1 ZINC001164617991 719032741 /nfs/dbraw/zinc/03/27/41/719032741.db2.gz QKNXJALMMNWGJJ-UHFFFAOYSA-N 1 0 427.545 3.496 20 0 IGADRO c1nc2c(nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2N2CCOCC2)s1 ZINC001164627953 719069441 /nfs/dbraw/zinc/06/94/41/719069441.db2.gz RMUIDPVIJCJYEF-RBUKOAKNSA-N 1 0 436.585 3.024 20 0 IGADRO CCOC(=O)C1CCN(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164629066 719086937 /nfs/dbraw/zinc/08/69/37/719086937.db2.gz QTFGMHYFBSATJF-GOTSBHOMSA-N 1 0 449.599 3.357 20 0 IGADRO CC(C)N(C)Cc1nn(-c2cncc(OCc3cccc(Cl)c3)n2)c2c1CC[NH2+]C2 ZINC001164679484 719648896 /nfs/dbraw/zinc/64/88/96/719648896.db2.gz CEQHMORQMIMSER-UHFFFAOYSA-N 1 0 426.952 3.381 20 0 IGADRO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692491 719807208 /nfs/dbraw/zinc/80/72/08/719807208.db2.gz IELJRWNWKUOXNJ-UHFFFAOYSA-N 1 0 435.981 3.245 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)nc1 ZINC001164695442 719835589 /nfs/dbraw/zinc/83/55/89/719835589.db2.gz MYOOGJXICCHQDC-FYYLOGMGSA-N 1 0 447.587 3.473 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(C(=O)OC)ccc3nc1Cl)C2 ZINC001164810416 720078503 /nfs/dbraw/zinc/07/85/03/720078503.db2.gz LSSCXCQMXSQZIR-UZUQRXQVSA-N 1 0 444.963 3.255 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)c(NC(C)C)n1)CC2 ZINC001164710177 720092283 /nfs/dbraw/zinc/09/22/83/720092283.db2.gz GRLHWKQZHCWVHO-HXUWFJFHSA-N 1 0 440.592 3.208 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164710655 720094675 /nfs/dbraw/zinc/09/46/75/720094675.db2.gz KNUFVLLKGIGTAV-QFIPXVFZSA-N 1 0 436.604 3.369 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164809259 720096444 /nfs/dbraw/zinc/09/64/44/720096444.db2.gz IZPBYZXUIAURQY-UZLBHIALSA-N 1 0 443.922 3.251 20 0 IGADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(C)c1 ZINC001164714171 720108050 /nfs/dbraw/zinc/10/80/50/720108050.db2.gz AJKGMLADWJWCNM-QFIPXVFZSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164814992 720109456 /nfs/dbraw/zinc/10/94/56/720109456.db2.gz VCAYXZNGYZXRJO-YWZLYKJASA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164807487 720110505 /nfs/dbraw/zinc/11/05/05/720110505.db2.gz CNIKMTQZTCDODC-QRWLVFNGSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-c3cccnc3)n1)CC2 ZINC001164718074 720125021 /nfs/dbraw/zinc/12/50/21/720125021.db2.gz RKMUDKBXMWONRG-JOCHJYFZSA-N 1 0 430.556 3.441 20 0 IGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1 ZINC001164815918 720128126 /nfs/dbraw/zinc/12/81/26/720128126.db2.gz XKYXMPKCULBRIH-CVDCTZTESA-N 1 0 435.012 3.402 20 0 IGADRO CCOC(=O)c1c(C)ccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712235 720133156 /nfs/dbraw/zinc/13/31/56/720133156.db2.gz LLHGHKGUVAUHNM-OAQYLSRUSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164815511 720136411 /nfs/dbraw/zinc/13/64/11/720136411.db2.gz WCQCQXVWFGJCTO-QRWLVFNGSA-N 1 0 437.922 3.408 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccnc1OCC(C)C)CC2 ZINC001164714010 720150054 /nfs/dbraw/zinc/15/00/54/720150054.db2.gz VCLJXHSDAKYAQJ-OAQYLSRUSA-N 1 0 425.577 3.414 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164713092 720153754 /nfs/dbraw/zinc/15/37/54/720153754.db2.gz QOUSCMRQVQUXDI-PXNSSMCTSA-N 1 0 435.931 3.160 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)N1CCc3ccccc31)C2 ZINC001164815553 720164050 /nfs/dbraw/zinc/16/40/50/720164050.db2.gz IDPCDQJFUNNDCT-AJTFRIOCSA-N 1 0 446.595 3.469 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)C2 ZINC001164818349 720183665 /nfs/dbraw/zinc/18/36/65/720183665.db2.gz SKIRQTPZBVCNSA-IQGLISFBSA-N 1 0 439.556 3.215 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)c(OC)c3ccccc31)C2 ZINC001164818339 720184039 /nfs/dbraw/zinc/18/40/39/720184039.db2.gz SKIRQTPZBVCNSA-AVRWGWEMSA-N 1 0 439.556 3.215 20 0 IGADRO Cc1cc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc(Cl)n1 ZINC001164814581 720210892 /nfs/dbraw/zinc/21/08/92/720210892.db2.gz UPHAPEXNAIWWDH-UHFFFAOYSA-N 1 0 425.911 3.396 20 0 IGADRO COCc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccccc2)n1 ZINC001164812899 720212617 /nfs/dbraw/zinc/21/26/17/720212617.db2.gz NBPYVZWITXOZKW-UHFFFAOYSA-N 1 0 448.571 3.097 20 0 IGADRO Cc1cccc2c1nc(Cl)nc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814709 720218530 /nfs/dbraw/zinc/21/85/30/720218530.db2.gz VYDZLMCMVCVTTK-UHFFFAOYSA-N 1 0 426.952 3.399 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1OCc1ccccc1)CCC2 ZINC001164813493 720234416 /nfs/dbraw/zinc/23/44/16/720234416.db2.gz OXHHTSFQRKTGIF-UHFFFAOYSA-N 1 0 433.556 3.468 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(F)F)nc3ccccc31)CCC2 ZINC001164813960 720239525 /nfs/dbraw/zinc/23/95/25/720239525.db2.gz SJRZNUOCZZQCDX-UHFFFAOYSA-N 1 0 428.487 3.375 20 0 IGADRO CC(C)c1noc(-c2ccnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2)n1 ZINC001164814532 720242900 /nfs/dbraw/zinc/24/29/00/720242900.db2.gz XEZJQHNYIGOBCV-UHFFFAOYSA-N 1 0 437.548 3.062 20 0 IGADRO COc1cc2ccnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2cc1F ZINC001164817225 720246001 /nfs/dbraw/zinc/24/60/01/720246001.db2.gz PZHQRQKZABOMIL-UHFFFAOYSA-N 1 0 425.508 3.190 20 0 IGADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164818296 720287541 /nfs/dbraw/zinc/28/75/41/720287541.db2.gz KCTMQTADAAZSEK-VQTJNVASSA-N 1 0 443.979 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001164818952 720296344 /nfs/dbraw/zinc/29/63/44/720296344.db2.gz BZYBUXVDWXJMTA-KBPBESRZSA-N 1 0 448.345 3.240 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC001164823121 720298386 /nfs/dbraw/zinc/29/83/86/720298386.db2.gz OOWARUZILIFFNI-IAGOWNOFSA-N 1 0 442.938 3.200 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2)CC1 ZINC001164828198 720307823 /nfs/dbraw/zinc/30/78/23/720307823.db2.gz YXSSGYGGMAUVNE-IRXDYDNUSA-N 1 0 428.911 3.071 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829631 720317350 /nfs/dbraw/zinc/31/73/50/720317350.db2.gz MYJFSCQYYXHTPS-MSOLQXFVSA-N 1 0 443.979 3.203 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827868 720319735 /nfs/dbraw/zinc/31/97/35/720319735.db2.gz IZGLAONUHLURAY-PMACEKPBSA-N 1 0 443.979 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2ccn3C2CCCC2)CC1 ZINC001164823892 720322225 /nfs/dbraw/zinc/32/22/25/720322225.db2.gz BODVLZAUKPYLFK-YADHBBJMSA-N 1 0 436.604 3.458 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)COc2cccc(Cl)n2)CC1 ZINC001164832380 720326299 /nfs/dbraw/zinc/32/62/99/720326299.db2.gz SULMWKYBOGMRRY-IRXDYDNUSA-N 1 0 442.938 3.114 20 0 IGADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831365 720326514 /nfs/dbraw/zinc/32/65/14/720326514.db2.gz RMJLHQRJVPLKAF-IRXDYDNUSA-N 1 0 426.939 3.500 20 0 IGADRO CN(C)c1ccc(-c2ccnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164823324 720331600 /nfs/dbraw/zinc/33/16/00/720331600.db2.gz AOCLLLLTASOAFD-RPWUZVMVSA-N 1 0 448.615 3.121 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc3c(n2)-c2ccccc2CC3)CC1 ZINC001164831958 720331856 /nfs/dbraw/zinc/33/18/56/720331856.db2.gz SKIABYGKSNCLLQ-XZOQPEGZSA-N 1 0 431.584 3.154 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(F)cc3ncnc(Cl)c32)CC1 ZINC001164830219 720333036 /nfs/dbraw/zinc/33/30/36/720333036.db2.gz PESGIVJNCFJADX-ROUUACIJSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)c3ccc(F)cc32)CC1 ZINC001164827960 720347836 /nfs/dbraw/zinc/34/78/36/720347836.db2.gz NHOXTZPVIUWSFR-OALUTQOASA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3ccc(F)cc32)CC1 ZINC001164827964 720347986 /nfs/dbraw/zinc/34/79/86/720347986.db2.gz NHOXTZPVIUWSFR-RTBURBONSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc(-c3ccncc3)n2)CC1 ZINC001164828643 720352580 /nfs/dbraw/zinc/35/25/80/720352580.db2.gz OWQFNVSTICSGIF-WOJBJXKFSA-N 1 0 440.979 3.104 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(F)c(-c3ccsc3)n2)CC1 ZINC001164828879 720352587 /nfs/dbraw/zinc/35/25/87/720352587.db2.gz QKQZYZWZZQLBRV-RTBURBONSA-N 1 0 429.565 3.256 20 0 IGADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821685 720353439 /nfs/dbraw/zinc/35/34/39/720353439.db2.gz BHOXEPUPUKLYQF-HZPDHXFCSA-N 1 0 426.392 3.257 20 0 IGADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731012 720401113 /nfs/dbraw/zinc/40/11/13/720401113.db2.gz XZVDWJWULUJWRW-NHCUHLMSSA-N 1 0 429.503 3.262 20 0 IGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)C1 ZINC001164732257 720509314 /nfs/dbraw/zinc/50/93/14/720509314.db2.gz UHAFIZCVBUVJJU-GOSISDBHSA-N 1 0 438.963 3.060 20 0 IGADRO 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Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4OCc4ccccc4)C[C@H]3C2)cn1 ZINC001164765608 721140019 /nfs/dbraw/zinc/14/00/19/721140019.db2.gz JNNUIPNDBFSLOU-WOJBJXKFSA-N 1 0 438.963 3.401 20 0 IGADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)o2)cc1 ZINC001164871092 721150960 /nfs/dbraw/zinc/15/09/60/721150960.db2.gz DMUKKINMCNSPOD-SFTDATJTSA-N 1 0 442.523 3.468 20 0 IGADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164872793 721162079 /nfs/dbraw/zinc/16/20/79/721162079.db2.gz IJXLSFKCRPTUHK-FYYLOGMGSA-N 1 0 431.540 3.417 20 0 IGADRO Cc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)o2)cc1 ZINC001164771845 721206111 /nfs/dbraw/zinc/20/61/11/721206111.db2.gz REJLZNOWLDLNMZ-WOJBJXKFSA-N 1 0 429.528 3.285 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(C(=O)N5CCCCC5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164761972 721208622 /nfs/dbraw/zinc/20/86/22/721208622.db2.gz BGYNKDUXRFZCDW-QUCCMNQESA-N 1 0 442.995 3.053 20 0 IGADRO 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Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4nc[nH]c43)C2)C1 ZINC001164779483 721347877 /nfs/dbraw/zinc/34/78/77/721347877.db2.gz UGIMYDPJJVFUKA-NRFANRHFSA-N 1 0 430.940 3.335 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164887737 721418145 /nfs/dbraw/zinc/41/81/45/721418145.db2.gz MWDPGDXEWJYCPB-OXJNMPFZSA-N 1 0 444.954 3.054 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cccc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164896718 721426114 /nfs/dbraw/zinc/42/61/14/721426114.db2.gz RVTCWMCKPRXVDE-BVAGGSTKSA-N 1 0 436.600 3.426 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164786373 721455663 /nfs/dbraw/zinc/45/56/63/721455663.db2.gz MGUPSTPMIHOPPP-GOSISDBHSA-N 1 0 448.011 3.356 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3c(OC)n1)CC2 ZINC001164785743 721461757 /nfs/dbraw/zinc/46/17/57/721461757.db2.gz NGAAMHPHNLSLBT-HXUWFJFHSA-N 1 0 440.588 3.372 20 0 IGADRO CCN(CC)c1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncn1 ZINC001164786827 721463646 /nfs/dbraw/zinc/46/36/46/721463646.db2.gz PQQLEVRBKJJNIY-NRFANRHFSA-N 1 0 431.625 3.057 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(OC)c3ccccc31)CC2 ZINC001164791687 721466154 /nfs/dbraw/zinc/46/61/54/721466154.db2.gz XOTWCCLMJJTIPR-FQEVSTJZSA-N 1 0 440.588 3.372 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC001164790687 721467312 /nfs/dbraw/zinc/46/73/12/721467312.db2.gz UVLWJPCYLLOELH-FQEVSTJZSA-N 1 0 441.576 3.174 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)nc1 ZINC001164789698 721483151 /nfs/dbraw/zinc/48/31/51/721483151.db2.gz BPTUHFSZPQPNCC-ODAXIHTASA-N 1 0 442.604 3.414 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)nc1 ZINC001164789170 721483232 /nfs/dbraw/zinc/48/32/32/721483232.db2.gz BPTUHFSZPQPNCC-AFXVXQJMSA-N 1 0 442.604 3.414 20 0 IGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908262 721533735 /nfs/dbraw/zinc/53/37/35/721533735.db2.gz PPABFFFXUPWEFZ-IEBWSBKVSA-N 1 0 426.492 3.012 20 0 IGADRO COc1cc2nc(C)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC ZINC001164810520 721555757 /nfs/dbraw/zinc/55/57/57/721555757.db2.gz YQQJXZFHXJTLTI-AWRGLXIESA-N 1 0 449.555 3.219 20 0 IGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)CC[N@@H+]3C2)c1 ZINC001164911072 721561645 /nfs/dbraw/zinc/56/16/45/721561645.db2.gz YHFGKRWYOMIASH-JSGCOSHPSA-N 1 0 435.290 3.208 20 0 IGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(OCc3ccccc3)cn2)[C@H]2CCCO[C@H]12 ZINC001164805631 721569400 /nfs/dbraw/zinc/56/94/00/721569400.db2.gz OGEPOMVLUUYTOD-FBLLAGFSSA-N 1 0 431.540 3.319 20 0 IGADRO CCOC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1Cl ZINC001164800251 721571016 /nfs/dbraw/zinc/57/10/16/721571016.db2.gz DLHHBEPJUWUWEV-LQWHRVPQSA-N 1 0 430.936 3.175 20 0 IGADRO CCOc1ccc(C(=O)OC)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904806 721710815 /nfs/dbraw/zinc/71/08/15/721710815.db2.gz DEYXKECBQJDBGK-QFIPXVFZSA-N 1 0 446.498 3.400 20 0 IGADRO Cc1cn(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cn1 ZINC001164906499 721715048 /nfs/dbraw/zinc/71/50/48/721715048.db2.gz MJIZZYODMMQCGO-OAQYLSRUSA-N 1 0 425.487 3.103 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC1 ZINC001165009381 721740006 /nfs/dbraw/zinc/74/00/06/721740006.db2.gz BTXAKFKLWLHQAF-UHFFFAOYSA-N 1 0 436.984 3.213 20 0 IGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccccc3nc2N2CCCCC2)CC1 ZINC001165010009 721744249 /nfs/dbraw/zinc/74/42/49/721744249.db2.gz KRHXVZPCQGIHNW-UHFFFAOYSA-N 1 0 436.604 3.143 20 0 IGADRO O=C1[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2CN1c1cccnc1 ZINC001165024874 721790165 /nfs/dbraw/zinc/79/01/65/721790165.db2.gz UDHSTBBRASRLDA-JTHBVZDNSA-N 1 0 425.536 3.134 20 0 IGADRO COC(=O)c1cc2c(OC)[nH]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc-2n1 ZINC001165027084 721811276 /nfs/dbraw/zinc/81/12/76/721811276.db2.gz SARAZBPAYUIDJS-BPXKWBHBSA-N 1 0 449.555 3.490 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)C[C@H]21 ZINC001165023125 721827105 /nfs/dbraw/zinc/82/71/05/721827105.db2.gz HSJDWKKMXIHFMT-QTGUNEKASA-N 1 0 434.588 3.281 20 0 IGADRO CCCNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021379 721832132 /nfs/dbraw/zinc/83/21/32/721832132.db2.gz FFMCCOGIJWUYJH-ILZDJORESA-N 1 0 442.995 3.402 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3ncnc(Cl)c3n2)CC1 ZINC001165022707 721842678 /nfs/dbraw/zinc/84/26/78/721842678.db2.gz SKIFOAYNXUGUHO-UHFFFAOYSA-N 1 0 428.924 3.191 20 0 IGADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H](CO)C3)c21 ZINC001165032978 721878511 /nfs/dbraw/zinc/87/85/11/721878511.db2.gz JXYKKHFKGOCQIR-QGZVFWFLSA-N 1 0 427.932 3.215 20 0 IGADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045498 721956316 /nfs/dbraw/zinc/95/63/16/721956316.db2.gz WJDBNWDRBMNFJF-GOSISDBHSA-N 1 0 442.951 3.380 20 0 IGADRO CC[NH+](CC)C1CCN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001165052833 722004214 /nfs/dbraw/zinc/00/42/14/722004214.db2.gz CCJBFINYXVPPSR-UHFFFAOYSA-N 1 0 435.616 3.350 20 0 IGADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)c3)cc21 ZINC001164951760 722016910 /nfs/dbraw/zinc/01/69/10/722016910.db2.gz DHUCUGCXQLCZFE-UHFFFAOYSA-N 1 0 442.567 3.250 20 0 IGADRO COc1cc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2cc1OC ZINC001164958085 722053628 /nfs/dbraw/zinc/05/36/28/722053628.db2.gz BTJZLRRXLAYSRS-UHFFFAOYSA-N 1 0 449.555 3.161 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968973 722081216 /nfs/dbraw/zinc/08/12/16/722081216.db2.gz GVKJPSOITKGCJC-MOUTVQLLSA-N 1 0 436.604 3.341 20 0 IGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974653 722099895 /nfs/dbraw/zinc/09/98/95/722099895.db2.gz BFJGDAKKSSMEGS-PXNSSMCTSA-N 1 0 430.936 3.034 20 0 IGADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CSCC2 ZINC001164979988 722104247 /nfs/dbraw/zinc/10/42/47/722104247.db2.gz IQNNPOPKMBPNFO-APWZRJJASA-N 1 0 431.993 3.042 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972534 722116199 /nfs/dbraw/zinc/11/61/99/722116199.db2.gz FYCXZNWDCOWFQO-XLIONFOSSA-N 1 0 439.947 3.414 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164975587 722124918 /nfs/dbraw/zinc/12/49/18/722124918.db2.gz JXCZLSNJWSIGIU-SJLPKXTDSA-N 1 0 438.906 3.411 20 0 IGADRO COc1cccc(Oc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164977101 722131496 /nfs/dbraw/zinc/13/14/96/722131496.db2.gz ITAUVXURQIRPFN-NFBKMPQASA-N 1 0 447.539 3.400 20 0 IGADRO COc1cc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983281 722145669 /nfs/dbraw/zinc/14/56/69/722145669.db2.gz SXSGLYYWXCSRGD-NTKDMRAZSA-N 1 0 434.540 3.374 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164978048 722148885 /nfs/dbraw/zinc/14/88/85/722148885.db2.gz JKDPXASXFDJEQS-FYYLOGMGSA-N 1 0 430.556 3.278 20 0 IGADRO COC(=O)c1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164977095 722149444 /nfs/dbraw/zinc/14/94/44/722149444.db2.gz ISHDQROOVMDSNJ-AUSIDOKSSA-N 1 0 432.524 3.144 20 0 IGADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164971057 722158459 /nfs/dbraw/zinc/15/84/59/722158459.db2.gz ACBHSUXZBADJME-DYESRHJHSA-N 1 0 432.503 3.373 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]32)cs1 ZINC001164992988 722185689 /nfs/dbraw/zinc/18/56/89/722185689.db2.gz YMUIUHIXOQGNQH-FGZHOGPDSA-N 1 0 427.618 3.311 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1OCc1ccc(F)cc1)CCC2 ZINC001165004823 722257035 /nfs/dbraw/zinc/25/70/35/722257035.db2.gz VHEAUIKULGIKKZ-UHFFFAOYSA-N 1 0 439.535 3.485 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(C(=O)OCc3ccccc3)cn1)CCC2 ZINC001165004611 722257184 /nfs/dbraw/zinc/25/71/84/722257184.db2.gz UEIIDQUNTZMCIJ-UHFFFAOYSA-N 1 0 449.555 3.124 20 0 IGADRO c1sc2nc(CN3CCCCC3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164403455 718839590 /nfs/dbraw/zinc/83/95/90/718839590.db2.gz JJGWWTBYFDHTOJ-HXUWFJFHSA-N 1 0 448.640 3.438 20 0 IGADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416467 718884975 /nfs/dbraw/zinc/88/49/75/718884975.db2.gz WYZMSTGDPKTSCS-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO Fc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164423204 718919241 /nfs/dbraw/zinc/91/92/41/718919241.db2.gz FQQIHOJPHOXPJU-IBGZPJMESA-N 1 0 442.869 3.066 20 0 IGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)[C@H]2C)n1 ZINC001164430747 718951006 /nfs/dbraw/zinc/95/10/06/718951006.db2.gz XNPITOUDUWQLCY-OAQYLSRUSA-N 1 0 449.599 3.167 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164616734 719006789 /nfs/dbraw/zinc/00/67/89/719006789.db2.gz LKWRFHPPFWOWKZ-UGSOOPFHSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(OC)c1)C2 ZINC001164615288 719007458 /nfs/dbraw/zinc/00/74/58/719007458.db2.gz HZLRIUKPUOAYNH-YWZLYKJASA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164620319 719009438 /nfs/dbraw/zinc/00/94/38/719009438.db2.gz YHNDCRVYISPJFV-MGPUTAFESA-N 1 0 443.922 3.438 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164618676 719009632 /nfs/dbraw/zinc/00/96/32/719009632.db2.gz SENFBUYJGCJNEI-LIRRHRJNSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164613947 719015536 /nfs/dbraw/zinc/01/55/36/719015536.db2.gz AOPVDEAGOAKMQK-QCZZGDTMSA-N 1 0 431.270 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164618802 719019703 /nfs/dbraw/zinc/01/97/03/719019703.db2.gz TWVDBEZXXUMGEO-AFAVFJNCSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164613981 719020295 /nfs/dbraw/zinc/02/02/95/719020295.db2.gz AYOPJJRKOBZYEF-JLSDUUJJSA-N 1 0 436.890 3.380 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc4cc(OC)c(OC)cc43)CC2)CC1 ZINC001164617006 719026654 /nfs/dbraw/zinc/02/66/54/719026654.db2.gz IELZFBFKMSCVGU-UHFFFAOYSA-N 1 0 442.560 3.199 20 0 IGADRO O=C1CCCN1[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21 ZINC001164656902 719303120 /nfs/dbraw/zinc/30/31/20/719303120.db2.gz ZFCISXRNSWURBE-GYZWWNDVSA-N 1 0 446.595 3.246 20 0 IGADRO CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164662374 719362401 /nfs/dbraw/zinc/36/24/01/719362401.db2.gz AYHHEXJOSFWVSL-CQSZACIVSA-N 1 0 438.910 3.018 20 0 IGADRO Cc1nc2c(cc(-c3nc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164670238 719393858 /nfs/dbraw/zinc/39/38/58/719393858.db2.gz WIDSUCVLAKHECG-OALUTQOASA-N 1 0 428.487 3.180 20 0 IGADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164675183 719441755 /nfs/dbraw/zinc/44/17/55/719441755.db2.gz ZMXNDFCLNPVMDT-QZTJIDSGSA-N 1 0 427.618 3.075 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)c23)C1 ZINC001164667890 719443955 /nfs/dbraw/zinc/44/39/55/719443955.db2.gz IEABGVWDSJKXAJ-BHIYHBOVSA-N 1 0 441.645 3.321 20 0 IGADRO O=C([C@@H]1C[C@@H]2OCC[C@H]2N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164679226 719537680 /nfs/dbraw/zinc/53/76/80/719537680.db2.gz VZRPZQMEOQLXMD-GPXOXTDOSA-N 1 0 446.595 3.246 20 0 IGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c(Cl)nc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164685208 719612371 /nfs/dbraw/zinc/61/23/71/719612371.db2.gz SQOFNBHTQNCRDG-UHFFFAOYSA-N 1 0 441.754 3.052 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)ncc3F)CC2)c2ccccc21 ZINC001164681004 719655951 /nfs/dbraw/zinc/65/59/51/719655951.db2.gz LBOFRQDWEKSQDQ-MRXNPFEDSA-N 1 0 445.970 3.363 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cc[nH]c43)CC2)c2ccccc21 ZINC001164679993 719657531 /nfs/dbraw/zinc/65/75/31/719657531.db2.gz BVCKJSNNYDZDAF-GOSISDBHSA-N 1 0 432.572 3.051 20 0 IGADRO Cc1nc2[nH]ccc2c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680970 719661143 /nfs/dbraw/zinc/66/11/43/719661143.db2.gz KFKZBTAOVXDGLC-LJQANCHMSA-N 1 0 446.599 3.360 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnc4cccnc4n3)CC2)c2ccccc21 ZINC001164681049 719665530 /nfs/dbraw/zinc/66/55/30/719665530.db2.gz JBWAGIYIJLPROR-IBGZPJMESA-N 1 0 444.583 3.118 20 0 IGADRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1F ZINC001164686037 719666828 /nfs/dbraw/zinc/66/68/28/719666828.db2.gz WKNHCOSOQHHYCD-SFHVURJKSA-N 1 0 425.552 3.018 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(N)cc3Cl)CC2)c2ccccc21 ZINC001164687154 719668914 /nfs/dbraw/zinc/66/89/14/719668914.db2.gz ZSOCMVXRSJXEAH-KRWDZBQOSA-N 1 0 442.007 3.411 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(C4CC4)n3)CC2)c2ccccc21 ZINC001164686943 719672634 /nfs/dbraw/zinc/67/26/34/719672634.db2.gz ZBYRIIDPCBXNMK-HXUWFJFHSA-N 1 0 433.600 3.447 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)CC2 ZINC001164684595 719732499 /nfs/dbraw/zinc/73/24/99/719732499.db2.gz IJUAIUFZYRGXIR-UHFFFAOYSA-N 1 0 445.030 3.006 20 0 IGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2c(Cl)nc(Cl)nc2C(N)=O)CC3)cs1 ZINC001164693108 719809762 /nfs/dbraw/zinc/80/97/62/719809762.db2.gz QHFGZMOYXIXRHS-UHFFFAOYSA-N 1 0 441.388 3.282 20 0 IGADRO O=C(c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)N1CCCC1 ZINC001164702797 719885967 /nfs/dbraw/zinc/88/59/67/719885967.db2.gz QKSOCGQGDLUKDE-UHFFFAOYSA-N 1 0 426.586 3.251 20 0 IGADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5cc6c(cc54)OCCO6)CC3)C2)c1 ZINC001164696121 719888002 /nfs/dbraw/zinc/88/80/02/719888002.db2.gz YFHWBMIVLIANBV-UHFFFAOYSA-N 1 0 438.553 3.334 20 0 IGADRO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697693 719893749 /nfs/dbraw/zinc/89/37/49/719893749.db2.gz NSDZMEKILGHMOQ-UHFFFAOYSA-N 1 0 438.553 3.349 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164812330 720082976 /nfs/dbraw/zinc/08/29/76/720082976.db2.gz QPKQWOZEHXLTPE-HOFKKMOUSA-N 1 0 447.627 3.220 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164718012 720107431 /nfs/dbraw/zinc/10/74/31/720107431.db2.gz QBDJMXXAFSTRLU-KRWDZBQOSA-N 1 0 429.952 3.063 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cc(C(=O)OC)ccc31)C2 ZINC001164813825 720119222 /nfs/dbraw/zinc/11/92/22/720119222.db2.gz RBNWMQOZFWSADZ-GAJHUEQPSA-N 1 0 444.963 3.255 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164815510 720135201 /nfs/dbraw/zinc/13/52/01/720135201.db2.gz WCQCQXVWFGJCTO-MGPUTAFESA-N 1 0 437.922 3.408 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164815509 720135339 /nfs/dbraw/zinc/13/53/39/720135339.db2.gz WCQCQXVWFGJCTO-FOIQADDNSA-N 1 0 437.922 3.408 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164714788 720144418 /nfs/dbraw/zinc/14/44/18/720144418.db2.gz ZBXCSYVEMBEOGV-NRFANRHFSA-N 1 0 430.556 3.441 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164812417 720165289 /nfs/dbraw/zinc/16/52/89/720165289.db2.gz AMSKCXBCXLMONE-FOIQADDNSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)N1CCC(C)CC1)C2 ZINC001164820270 720166707 /nfs/dbraw/zinc/16/67/07/720166707.db2.gz ZWBPIVUNYPJRPD-SQJMNOBHSA-N 1 0 426.605 3.138 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164817150 720172642 /nfs/dbraw/zinc/17/26/42/720172642.db2.gz OGILFIGBAYVNKP-MGPUTAFESA-N 1 0 426.939 3.348 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3sccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716549 720176333 /nfs/dbraw/zinc/17/63/33/720176333.db2.gz HBQSKZGINBGSBY-QGZVFWFLSA-N 1 0 432.981 3.294 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3cccc(Cl)c3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719173 720177912 /nfs/dbraw/zinc/17/79/12/720177912.db2.gz TXBZXVKIRNJKGY-LJQANCHMSA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1c(Cl)ncc(Cl)c1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719629 720183419 /nfs/dbraw/zinc/18/34/19/720183419.db2.gz XDJZBAYLZMVZSP-CQSZACIVSA-N 1 0 445.782 3.387 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)ncc1Cl)CCC2 ZINC001164810776 720215786 /nfs/dbraw/zinc/21/57/86/720215786.db2.gz CPDXIEYKEJVMIJ-UHFFFAOYSA-N 1 0 447.317 3.136 20 0 IGADRO Cc1cc(OCc2ccccc2)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164816106 720242502 /nfs/dbraw/zinc/24/25/02/720242502.db2.gz GROMEIOJZVHALY-UHFFFAOYSA-N 1 0 448.571 3.171 20 0 IGADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821031 720309625 /nfs/dbraw/zinc/30/96/25/720309625.db2.gz JFCCUFVKJVJHDD-ZWKOTPCHSA-N 1 0 448.995 3.132 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829640 720317116 /nfs/dbraw/zinc/31/71/16/720317116.db2.gz MYJFSCQYYXHTPS-ROUUACIJSA-N 1 0 443.979 3.203 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2CN2CCCC2)CC1 ZINC001164825450 720323778 /nfs/dbraw/zinc/32/37/78/720323778.db2.gz FEMHPLAKJDSOLC-NHCUHLMSSA-N 1 0 446.039 3.242 20 0 IGADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164831363 720326248 /nfs/dbraw/zinc/32/62/48/720326248.db2.gz RMJLHQRJVPLKAF-DLBZAZTESA-N 1 0 426.939 3.500 20 0 IGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164721744 720331342 /nfs/dbraw/zinc/33/13/42/720331342.db2.gz DGRDENDXLMIEGJ-RBUKOAKNSA-N 1 0 442.523 3.307 20 0 IGADRO COc1cc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829578 720351826 /nfs/dbraw/zinc/35/18/26/720351826.db2.gz SPFOBNAUFNPSBU-FGZHOGPDSA-N 1 0 438.572 3.164 20 0 IGADRO Cc1cc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164731005 720402996 /nfs/dbraw/zinc/40/29/96/720402996.db2.gz XWNIZTIDFGFTLJ-VQTJNVASSA-N 1 0 436.585 3.085 20 0 IGADRO c1ccc(N2CCN(c3cc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730087 720460168 /nfs/dbraw/zinc/46/01/68/720460168.db2.gz HQQCJQFGVPEYCW-RPWUZVMVSA-N 1 0 441.583 3.051 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c(OC)c1OC ZINC001164728904 720466454 /nfs/dbraw/zinc/46/64/54/720466454.db2.gz PKDWRFZMYCYYMD-SFTDATJTSA-N 1 0 447.539 3.418 20 0 IGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)C1 ZINC001164732259 720509283 /nfs/dbraw/zinc/50/92/83/720509283.db2.gz UHAFIZCVBUVJJU-SFHVURJKSA-N 1 0 438.963 3.060 20 0 IGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)C1 ZINC001164728477 720510327 /nfs/dbraw/zinc/51/03/27/720510327.db2.gz FYWPSRLNAFTQQW-GOSISDBHSA-N 1 0 437.979 3.040 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834586 720519070 /nfs/dbraw/zinc/51/90/70/720519070.db2.gz GPGVQAGBWXKNST-CEXWTWQISA-N 1 0 441.580 3.398 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838467 720527234 /nfs/dbraw/zinc/52/72/34/720527234.db2.gz RHZJSMIPJOCKGX-GBESFXJTSA-N 1 0 441.580 3.398 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838463 720527430 /nfs/dbraw/zinc/52/74/30/720527430.db2.gz RHZJSMIPJOCKGX-CEXWTWQISA-N 1 0 441.580 3.398 20 0 IGADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2[nH]1 ZINC001164836788 720531696 /nfs/dbraw/zinc/53/16/96/720531696.db2.gz KXDUGLAXWZFBCM-QKNQBKEWSA-N 1 0 436.560 3.314 20 0 IGADRO 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COc1cc2ccnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2cc1F ZINC001164886066 721448576 /nfs/dbraw/zinc/44/85/76/721448576.db2.gz GIYUOLGBMJSMLV-NTKDMRAZSA-N 1 0 428.552 3.148 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164785205 721453930 /nfs/dbraw/zinc/45/39/30/721453930.db2.gz HFDUJGNUFCQVOY-GOSISDBHSA-N 1 0 444.954 3.409 20 0 IGADRO CCOc1c(Cl)ncnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164784635 721460989 /nfs/dbraw/zinc/46/09/89/721460989.db2.gz IXFIMSFIGLSHKP-SFHVURJKSA-N 1 0 439.000 3.263 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164788684 721461818 /nfs/dbraw/zinc/46/18/18/721461818.db2.gz VNEAILMDCVSPDY-QGZVFWFLSA-N 1 0 433.984 3.345 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1C(OC)OC)CC2 ZINC001164782807 721463985 /nfs/dbraw/zinc/46/39/85/721463985.db2.gz CJYUPXZBTQCDJX-OAQYLSRUSA-N 1 0 447.620 3.415 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1OC1CCC1)CC2 ZINC001164787401 721470738 /nfs/dbraw/zinc/47/07/38/721470738.db2.gz FNYXQMPQZBCWOB-FQEVSTJZSA-N 1 0 430.593 3.142 20 0 IGADRO CN1Cc2ccccc2CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)C1=O ZINC001164892566 721473465 /nfs/dbraw/zinc/47/34/65/721473465.db2.gz GLNFGEPIYWHWET-UHFFFAOYSA-N 1 0 434.584 3.358 20 0 IGADRO O=C(NCc1ccccc1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899978 721514968 /nfs/dbraw/zinc/51/49/68/721514968.db2.gz MWROAUDICTVMCC-GMAHTHKFSA-N 1 0 446.526 3.493 20 0 IGADRO COC(=O)c1ccc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164806616 721547229 /nfs/dbraw/zinc/54/72/29/721547229.db2.gz PGFIXVKIHXQOGR-XPWALMASSA-N 1 0 432.524 3.285 20 0 IGADRO CCOC(=O)c1cc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164803060 721547507 /nfs/dbraw/zinc/54/75/07/721547507.db2.gz HQFDKIOYRDHLNY-JAXLGGSGSA-N 1 0 435.528 3.003 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164804561 721552839 /nfs/dbraw/zinc/55/28/39/721552839.db2.gz KHFAYSKFIAGRPE-IRFCIJBXSA-N 1 0 444.963 3.483 20 0 IGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2)C1 ZINC001164798195 721577050 /nfs/dbraw/zinc/57/70/50/721577050.db2.gz APMKEBXPCYOECS-SXPAWZJZSA-N 1 0 449.599 3.217 20 0 IGADRO COC(=O)c1cc2ccccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806983 721581415 /nfs/dbraw/zinc/58/14/15/721581415.db2.gz OHRKNZYOKKDKMB-RJGXRXQPSA-N 1 0 432.524 3.285 20 0 IGADRO COC(=O)c1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903764 721584808 /nfs/dbraw/zinc/58/48/08/721584808.db2.gz CEFIISSNTYJODP-IBGZPJMESA-N 1 0 437.878 3.049 20 0 IGADRO CCOC(=O)c1cc(C)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903751 721695992 /nfs/dbraw/zinc/69/59/92/721695992.db2.gz BZYHBDPJOZKOMQ-OAQYLSRUSA-N 1 0 431.487 3.094 20 0 IGADRO C[C@@H]1CC(=O)Nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164906647 721706510 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UTANEGGVEIUFHI-HNAYVOBHSA-N 1 0 445.901 3.151 20 0 IGADRO CCOC(=O)c1ncnc(Cl)c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023106 721821492 /nfs/dbraw/zinc/82/14/92/721821492.db2.gz HLFOAGASRMPSBW-JQHSSLGASA-N 1 0 429.952 3.439 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C[C@H]21 ZINC001165025207 721831361 /nfs/dbraw/zinc/83/13/61/721831361.db2.gz MFPKKAZHAASVBV-GSEOLPGOSA-N 1 0 443.979 3.430 20 0 IGADRO CCOC(=O)c1ncnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1C ZINC001165020456 721841503 /nfs/dbraw/zinc/84/15/03/721841503.db2.gz DRBMBLXKFISKAK-UHFFFAOYSA-N 1 0 428.533 3.080 20 0 IGADRO COC(=O)c1cc2c[nH]c(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)cc-2n1 ZINC001165022001 721842907 /nfs/dbraw/zinc/84/29/07/721842907.db2.gz LWUPWENIEMZHPG-UHFFFAOYSA-N 1 0 438.528 3.468 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)cc2C(=O)N(C)OC)CC1 ZINC001165021244 721843024 /nfs/dbraw/zinc/84/30/24/721843024.db2.gz JECMDCSIRWWPQF-UHFFFAOYSA-N 1 0 442.560 3.141 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@H](OCC(=O)N4CCCC4)CO3)C2)nc1 ZINC001164937297 721919350 /nfs/dbraw/zinc/91/93/50/721919350.db2.gz BEPKSTIBEXEZSW-FBLLAGFSSA-N 1 0 442.604 3.005 20 0 IGADRO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940147 721932472 /nfs/dbraw/zinc/93/24/72/721932472.db2.gz QRJNKDVVTPTDAL-UHFFFAOYSA-N 1 0 430.936 3.096 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1 ZINC001165049874 721981722 /nfs/dbraw/zinc/98/17/22/721981722.db2.gz NEKBDVYFPMXMPS-NFBKMPQASA-N 1 0 436.556 3.117 20 0 IGADRO CCOC(=O)c1sc2nc(C)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165056008 722017061 /nfs/dbraw/zinc/01/70/61/722017061.db2.gz UHCNRCJJRYGSFH-UHFFFAOYSA-N 1 0 425.558 3.245 20 0 IGADRO CC1(C)OCc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963782 722054437 /nfs/dbraw/zinc/05/44/37/722054437.db2.gz KRWRINBTTFTIIF-UHFFFAOYSA-N 1 0 443.979 3.409 20 0 IGADRO CSc1nc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2s1 ZINC001164959964 722058252 /nfs/dbraw/zinc/05/82/52/722058252.db2.gz ASZIVZGZLWEXNY-UHFFFAOYSA-N 1 0 442.614 3.322 20 0 IGADRO C[C@@H]1CCCN(c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)C1 ZINC001164963399 722060840 /nfs/dbraw/zinc/06/08/40/722060840.db2.gz YJTZSRIAFGKRDW-OAQYLSRUSA-N 1 0 436.604 3.227 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)nc1 ZINC001164968975 722081115 /nfs/dbraw/zinc/08/11/15/722081115.db2.gz GVKJPSOITKGCJC-UEQSERJNSA-N 1 0 436.604 3.341 20 0 IGADRO O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986105 722103181 /nfs/dbraw/zinc/10/31/81/722103181.db2.gz YANBDNBJAFLNGK-ZJSXRUAMSA-N 1 0 449.599 3.266 20 0 IGADRO Clc1cc(-c2ccncc2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164986047 722104386 /nfs/dbraw/zinc/10/43/86/722104386.db2.gz XVBHFCVJPBNTNM-FPOVZHCZSA-N 1 0 436.947 3.314 20 0 IGADRO Clc1nc(-c2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971398 722109767 /nfs/dbraw/zinc/10/97/67/722109767.db2.gz BXXCITBALYPLQX-PMACEKPBSA-N 1 0 436.947 3.314 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164971882 722116884 /nfs/dbraw/zinc/11/68/84/722116884.db2.gz CZGPKQCMLJTERK-AZUAARDMSA-N 1 0 444.963 3.342 20 0 IGADRO COc1cc2nc(C)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164982475 722119465 /nfs/dbraw/zinc/11/94/65/722119465.db2.gz WQADPYMMFBUGRH-DVECYGJZSA-N 1 0 449.555 3.078 20 0 IGADRO O=C(Nc1ccccc1)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979782 722120436 /nfs/dbraw/zinc/12/04/36/722120436.db2.gz PYAGGKIQONQCRN-UPVQGACJSA-N 1 0 443.551 3.456 20 0 IGADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164973067 722120867 /nfs/dbraw/zinc/12/08/67/722120867.db2.gz GHEQXCDNIQWTSE-FXAWDEMLSA-N 1 0 430.936 3.034 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164983765 722122076 /nfs/dbraw/zinc/12/20/76/722122076.db2.gz ZZGUVYIYLKXMRF-XLIONFOSSA-N 1 0 439.947 3.414 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164975588 722125132 /nfs/dbraw/zinc/12/51/32/722125132.db2.gz JXCZLSNJWSIGIU-WMZOPIPTSA-N 1 0 438.906 3.411 20 0 IGADRO COc1cccc(Oc2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164977103 722131609 /nfs/dbraw/zinc/13/16/09/722131609.db2.gz ITAUVXURQIRPFN-OFNKIYASSA-N 1 0 447.539 3.400 20 0 IGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)C1 ZINC001164972723 722139492 /nfs/dbraw/zinc/13/94/92/722139492.db2.gz AKTAITRQUUCABO-AGILITTLSA-N 1 0 449.599 3.076 20 0 IGADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982714 722143063 /nfs/dbraw/zinc/14/30/63/722143063.db2.gz SETMZUXMSALMOM-QFBILLFUSA-N 1 0 449.933 3.286 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164975047 722149058 /nfs/dbraw/zinc/14/90/58/722149058.db2.gz DTSWLCUBFNIKTM-GOTSBHOMSA-N 1 0 430.556 3.278 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)s1 ZINC001164979727 722150823 /nfs/dbraw/zinc/15/08/23/722150823.db2.gz LVBNLTFZMDWOTH-TZIWHRDSSA-N 1 0 436.585 3.339 20 0 IGADRO Fc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccsc1 ZINC001164977207 722154937 /nfs/dbraw/zinc/15/49/37/722154937.db2.gz YGACMOUUOZXGBT-XLIONFOSSA-N 1 0 425.533 3.467 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3c(F)cccc3F)nn1)CCC2 ZINC001165003984 722257197 /nfs/dbraw/zinc/25/71/97/722257197.db2.gz KLAZPSIWHCXTJI-UHFFFAOYSA-N 1 0 428.487 3.107 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164387848 718814032 /nfs/dbraw/zinc/81/40/32/718814032.db2.gz JHMXJZZJUCRBHB-CYBMUJFWSA-N 1 0 442.816 3.362 20 0 IGADRO C(c1nc2sc3c(c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1)CCC3)N1CCOCC1 ZINC001164418590 718893114 /nfs/dbraw/zinc/89/31/14/718893114.db2.gz PEFQHWSOYNFMFF-IBGZPJMESA-N 1 0 441.645 3.371 20 0 IGADRO 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CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2OCC[C@H](C(=O)NCCc3ccncc3)[C@H]2C1 ZINC001165012578 721754553 /nfs/dbraw/zinc/75/45/53/721754553.db2.gz FDORHSNZGJZMCD-HBMCJLEFSA-N 1 0 442.991 3.451 20 0 IGADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164910778 721757594 /nfs/dbraw/zinc/75/75/94/721757594.db2.gz RNVWMJGRIUZEFD-UHFFFAOYSA-N 1 0 432.572 3.016 20 0 IGADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165024601 721805405 /nfs/dbraw/zinc/80/54/05/721805405.db2.gz MJOUEQHRNBVCJP-DBVUQKKJSA-N 1 0 434.544 3.267 20 0 IGADRO CCOC(=O)c1cc(Cl)nnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027335 721806050 /nfs/dbraw/zinc/80/60/50/721806050.db2.gz VNJMPTJNILSLKR-ZYSHUDEJSA-N 1 0 429.952 3.439 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3N3CCOCC3)C[C@H]21 ZINC001165028956 721813191 /nfs/dbraw/zinc/81/31/91/721813191.db2.gz YFDDFYAWPKLCGK-DFQSSKMNSA-N 1 0 442.995 3.099 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)C[C@H]21 ZINC001165023124 721827320 /nfs/dbraw/zinc/82/73/20/721827320.db2.gz HSJDWKKMXIHFMT-JMUQELJHSA-N 1 0 434.588 3.281 20 0 IGADRO COCc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(SC)n1 ZINC001165023366 721840962 /nfs/dbraw/zinc/84/09/62/721840962.db2.gz VTKOKEOMWAFUAI-UHFFFAOYSA-N 1 0 432.590 3.463 20 0 IGADRO CCCNC(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165023179 721843976 /nfs/dbraw/zinc/84/39/76/721843976.db2.gz YJKGWRUFPQFXTD-UHFFFAOYSA-N 1 0 426.561 3.339 20 0 IGADRO CC[C@H]1C(=O)N(C)c2cnc(N3CC[NH+](C4CCCC4)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165032012 721858527 /nfs/dbraw/zinc/85/85/27/721858527.db2.gz IXAKHSGGUDZNHE-ROUUACIJSA-N 1 0 448.562 3.290 20 0 IGADRO Cn1ccc(CN2CCOCC23CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)n1 ZINC001164935668 721908304 /nfs/dbraw/zinc/90/83/04/721908304.db2.gz MUMFSIONAPUVTG-UHFFFAOYSA-N 1 0 446.599 3.440 20 0 IGADRO c1cnc(-c2nc3sc4c(c3c(N3CC[NH+](C[C@H]5CCCO5)CC3)n2)CCCC4)cn1 ZINC000622260007 721922197 /nfs/dbraw/zinc/92/21/97/721922197.db2.gz NKLYXECXWLJNCP-MRXNPFEDSA-N 1 0 436.585 3.328 20 0 IGADRO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939332 721925671 /nfs/dbraw/zinc/92/56/71/721925671.db2.gz IXVICKNVFYDPQK-UHFFFAOYSA-N 1 0 427.520 3.496 20 0 IGADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938619 721932802 /nfs/dbraw/zinc/93/28/02/721932802.db2.gz BCTGGWKAHWOPFT-UHFFFAOYSA-N 1 0 438.572 3.396 20 0 IGADRO C[NH+](C)CC1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000613538859 721948934 /nfs/dbraw/zinc/94/89/34/721948934.db2.gz FIVPPACMKURXRA-UHFFFAOYSA-N 1 0 429.634 3.180 20 0 IGADRO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164954356 722008335 /nfs/dbraw/zinc/00/83/35/722008335.db2.gz LTDIALUJQJWGOP-BKMJKUGQSA-N 1 0 449.599 3.039 20 0 IGADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955915 722022453 /nfs/dbraw/zinc/02/24/53/722022453.db2.gz SLOVDGYJXMGFGG-UHFFFAOYSA-N 1 0 433.894 3.390 20 0 IGADRO Cc1ccc(N(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960614 722025262 /nfs/dbraw/zinc/02/52/62/722025262.db2.gz LLFOWZBOIHCTKL-CVDCTZTESA-N 1 0 442.995 3.478 20 0 IGADRO Clc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)CSCC2 ZINC001164961937 722053723 /nfs/dbraw/zinc/05/37/23/722053723.db2.gz ZHQPXVJRYQRILU-UHFFFAOYSA-N 1 0 446.020 3.433 20 0 IGADRO Cc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958052 722054189 /nfs/dbraw/zinc/05/41/89/722054189.db2.gz BDIMTZZZKRYMBY-UHFFFAOYSA-N 1 0 437.922 3.497 20 0 IGADRO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2[nH]1 ZINC001164963183 722054871 /nfs/dbraw/zinc/05/48/71/722054871.db2.gz HZBWMSYMDASUPG-UHFFFAOYSA-N 1 0 449.555 3.254 20 0 IGADRO COc1cc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c(OC)c1 ZINC001164962967 722056781 /nfs/dbraw/zinc/05/67/81/722056781.db2.gz GHBUQDYSWBOYPD-UHFFFAOYSA-N 1 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c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164980880 722138279 /nfs/dbraw/zinc/13/82/79/722138279.db2.gz NHJLCAGAAIOKED-URXFXBBRSA-N 1 0 444.583 3.352 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)s1 ZINC001164979721 722151206 /nfs/dbraw/zinc/15/12/06/722151206.db2.gz LVBNLTFZMDWOTH-PZJWPPBQSA-N 1 0 436.585 3.339 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC[C@@H]32)cs1 ZINC001164989523 722173505 /nfs/dbraw/zinc/17/35/05/722173505.db2.gz TZNHUVBFGISOQM-VQTJNVASSA-N 1 0 428.606 3.020 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC[C@@H]32)cs1 ZINC001164990825 722184680 /nfs/dbraw/zinc/18/46/80/722184680.db2.gz RZXWWUGXVYIJSU-AZUAARDMSA-N 1 0 434.009 3.015 20 0 IGADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncccc4C[NH+]4CCCC4)CC[C@H]32)cs1 ZINC001164990909 722186497 /nfs/dbraw/zinc/18/64/97/722186497.db2.gz SIBCNIBHPPQXMF-YADHBBJMSA-N 1 0 427.618 3.312 20 0 IGADRO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994848 722207718 /nfs/dbraw/zinc/20/77/18/722207718.db2.gz ISFGHMUMYFYBSU-JOCHJYFZSA-N 1 0 432.565 3.152 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ccc1CN1CCCC1)CCC2 ZINC001165001772 722254458 /nfs/dbraw/zinc/25/44/58/722254458.db2.gz FTZNNMNSKWMVDI-UHFFFAOYSA-N 1 0 433.000 3.016 20 0 IGADRO [NH3+]CC1(F)CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccccc2)CC1 ZINC001164391805 718812696 /nfs/dbraw/zinc/81/26/96/718812696.db2.gz JBBDKNXCXZXDOG-UHFFFAOYSA-N 1 0 428.842 3.299 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164387850 718814091 /nfs/dbraw/zinc/81/40/91/718814091.db2.gz JHMXJZZJUCRBHB-ZDUSSCGKSA-N 1 0 442.816 3.362 20 0 IGADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164391752 718824505 /nfs/dbraw/zinc/82/45/05/718824505.db2.gz WXAZVKZFJQANEM-ZWKOTPCHSA-N 1 0 427.618 3.123 20 0 IGADRO Cc1ccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1 ZINC001164422695 718919210 /nfs/dbraw/zinc/91/92/10/718919210.db2.gz ABSWHQYZBWIQBH-FQEVSTJZSA-N 1 0 438.906 3.236 20 0 IGADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)cnc1Cl ZINC001164430783 718948323 /nfs/dbraw/zinc/94/83/23/718948323.db2.gz YILKKNOMONAURO-HOTGVXAUSA-N 1 0 427.904 3.149 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCC[C@@H]4[NH2+]C[C@@H]43)c2c1C ZINC001164448953 719000254 /nfs/dbraw/zinc/00/02/54/719000254.db2.gz KMKPWAXKCWKIJZ-HOTGVXAUSA-N 1 0 429.590 3.103 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164615921 719008059 /nfs/dbraw/zinc/00/80/59/719008059.db2.gz JRKQYXUNOSXACO-LIRRHRJNSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164616164 719009323 /nfs/dbraw/zinc/00/93/23/719009323.db2.gz KMTACQDBZVUPOL-MGPUTAFESA-N 1 0 442.938 3.441 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164614918 719009788 /nfs/dbraw/zinc/00/97/88/719009788.db2.gz GVRFSGRDTNLJEF-KXBFYZLASA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(N)c1)C2 ZINC001164614913 719010067 /nfs/dbraw/zinc/01/00/67/719010067.db2.gz GVRFSGRDTNLJEF-HNAYVOBHSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164615269 719020061 /nfs/dbraw/zinc/02/00/61/719020061.db2.gz HWEHTNZZFQYGHU-ZLIFDBKOSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc([C@H](CC(=O)OC)C4CC4)ccn3)CC2)CC1 ZINC001164618588 719030875 /nfs/dbraw/zinc/03/08/75/719030875.db2.gz ZEIOYEYLDXLIEG-JOCHJYFZSA-N 1 0 443.588 3.382 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(=O)OC)cc4ccccc43)CC2)CC1 ZINC001164617891 719032785 /nfs/dbraw/zinc/03/27/85/719032785.db2.gz OXKJGMVIYKQPCU-UHFFFAOYSA-N 1 0 425.529 3.265 20 0 IGADRO CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2)C1=O ZINC001164630415 719101268 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COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)OC(C)C)nn2)CC1 ZINC001165020219 721839725 /nfs/dbraw/zinc/83/97/25/721839725.db2.gz GHUPUAMZNLOLEU-UHFFFAOYSA-N 1 0 428.533 3.160 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C(N)=O)cc3ccccc32)CC1 ZINC001165021272 721843804 /nfs/dbraw/zinc/84/38/04/721843804.db2.gz KHTJXXYWWBYAKM-UHFFFAOYSA-N 1 0 434.540 3.452 20 0 IGADRO COc1cc(OC)nc(CN2CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)n1 ZINC001165030600 721848734 /nfs/dbraw/zinc/84/87/34/721848734.db2.gz QNZWFPJXXGBUMJ-UHFFFAOYSA-N 1 0 444.539 3.214 20 0 IGADRO COc1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1NC(C)C ZINC001164939279 721919813 /nfs/dbraw/zinc/91/98/13/721919813.db2.gz UECNZGMOHCJOBA-UHFFFAOYSA-N 1 0 425.577 3.485 20 0 IGADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N(C)CC2CC[NH+](C)CC2)cc1 ZINC001165040396 721932294 /nfs/dbraw/zinc/93/22/94/721932294.db2.gz CFVNIYSUPKVVSZ-UHFFFAOYSA-N 1 0 447.992 3.408 20 0 IGADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]12 ZINC001164944654 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CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(-c5c[nH]c6ccccc56)n4)C3)O2)CC1 ZINC001164888953 721408881 /nfs/dbraw/zinc/40/88/81/721408881.db2.gz PUVWHGDTTMWMDE-FQRUVTKNSA-N 1 0 446.599 3.390 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4F)C3)O2)CC1 ZINC001164886675 721410646 /nfs/dbraw/zinc/41/06/46/721410646.db2.gz KSMBAAUTEZJEGP-HNAYVOBHSA-N 1 0 432.918 3.184 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886579 721412527 /nfs/dbraw/zinc/41/25/27/721412527.db2.gz KGOOIEZBTMZDFN-GAJHUEQPSA-N 1 0 445.995 3.057 20 0 IGADRO Cc1nc2cc(Cl)ccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890516 721412769 /nfs/dbraw/zinc/41/27/69/721412769.db2.gz SWLLTMZZFOVORN-XXBNENTESA-N 1 0 429.996 3.357 20 0 IGADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886190 721413020 /nfs/dbraw/zinc/41/30/20/721413020.db2.gz IBIMWKZQEPSLBH-XLIONFOSSA-N 1 0 428.955 3.354 20 0 IGADRO CSc1nc2ccccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888992 721417297 /nfs/dbraw/zinc/41/72/97/721417297.db2.gz PZPQTCBVDYFHCO-JPYJTQIMSA-N 1 0 427.618 3.117 20 0 IGADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886287 721421530 /nfs/dbraw/zinc/42/15/30/721421530.db2.gz IPSBFXKMQKEMMO-YLJYHZDGSA-N 1 0 428.955 3.354 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164889602 721424369 /nfs/dbraw/zinc/42/43/69/721424369.db2.gz CFZOIDYCJVTVCU-XUZZJYLKSA-N 1 0 441.551 3.173 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O4)n1)CCC3 ZINC001164895801 721433031 /nfs/dbraw/zinc/43/30/31/721433031.db2.gz PQUGDGGQSABMLZ-KOSHJBKYSA-N 1 0 441.645 3.254 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892218 721440395 /nfs/dbraw/zinc/44/03/95/721440395.db2.gz HTUVIXKXSRRAJV-URXFXBBRSA-N 1 0 441.551 3.173 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5c(F)cccc5F)nn4)C3)O2)CC1 ZINC001164893661 721441537 /nfs/dbraw/zinc/44/15/37/721441537.db2.gz JVPKPPYTZNVGRD-UUOWRZLLSA-N 1 0 443.542 3.187 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(OC)c(NC(C)C)n1)CC2 ZINC001164784073 721447903 /nfs/dbraw/zinc/44/79/03/721447903.db2.gz DMSNIMFQDLVUIA-FQEVSTJZSA-N 1 0 447.624 3.039 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(OC)c(NC(C)C)n1)CC2 ZINC001164784097 721447916 /nfs/dbraw/zinc/44/79/16/721447916.db2.gz DMSNIMFQDLVUIA-HXUWFJFHSA-N 1 0 447.624 3.039 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164785203 721448378 /nfs/dbraw/zinc/44/83/78/721448378.db2.gz HECVCDLJDBJFOT-QFIPXVFZSA-N 1 0 443.636 3.201 20 0 IGADRO CCOC(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1C ZINC001164784981 721450409 /nfs/dbraw/zinc/45/04/09/721450409.db2.gz GADAZOKFOOQPOF-NRFANRHFSA-N 1 0 445.604 3.301 20 0 IGADRO CCN(CC)c1cncc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164786904 721463561 /nfs/dbraw/zinc/46/35/61/721463561.db2.gz QLKGNBTZMLBKCD-OAQYLSRUSA-N 1 0 431.625 3.057 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164789228 721463715 /nfs/dbraw/zinc/46/37/15/721463715.db2.gz VXZGUERGLRZVHY-NRFANRHFSA-N 1 0 425.577 3.206 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(OC)c3ccccc31)CC2 ZINC001164791688 721467017 /nfs/dbraw/zinc/46/70/17/721467017.db2.gz XOTWCCLMJJTIPR-HXUWFJFHSA-N 1 0 440.588 3.372 20 0 IGADRO CNC(=O)N[C@@H]1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)c2ccc(C)cc21 ZINC001164897138 721492574 /nfs/dbraw/zinc/49/25/74/721492574.db2.gz BSWLFGDBJJBCED-JOCHJYFZSA-N 1 0 448.615 3.054 20 0 IGADRO CN1CCOc2c(Cl)nnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c21 ZINC001164795112 721499520 /nfs/dbraw/zinc/49/95/20/721499520.db2.gz DKGNORMYTGSZLT-UHFFFAOYSA-N 1 0 428.968 3.235 20 0 IGADRO Cc1cc(NC(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)no1 ZINC001164903536 721551689 /nfs/dbraw/zinc/55/16/89/721551689.db2.gz CCMCEVFYFKYXPB-HKUYNNGSSA-N 1 0 437.475 3.111 20 0 IGADRO CN(C)c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(Cl)n1 ZINC001164904239 721564645 /nfs/dbraw/zinc/56/46/45/721564645.db2.gz DOCVIWQNWDUYHD-GDBMZVCRSA-N 1 0 441.885 3.222 20 0 IGADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164908041 721566888 /nfs/dbraw/zinc/56/68/88/721566888.db2.gz PKKGLZFGBHZUMN-ZFWWWQNUSA-N 1 0 428.842 3.165 20 0 IGADRO CC1CCN(C(=O)c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2)CC1 ZINC001164800216 721577144 /nfs/dbraw/zinc/57/71/44/721577144.db2.gz DJYACUULDWLNFO-CUYJMHBOSA-N 1 0 449.599 3.217 20 0 IGADRO COC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1OC ZINC001164906255 721586981 /nfs/dbraw/zinc/58/69/81/721586981.db2.gz MQENFSDPLYWQNR-OAQYLSRUSA-N 1 0 432.471 3.010 20 0 IGADRO CC(C)OC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164903698 721692913 /nfs/dbraw/zinc/69/29/13/721692913.db2.gz BSIWBCWTMWHMCK-OAQYLSRUSA-N 1 0 431.487 3.175 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165025671 721788237 /nfs/dbraw/zinc/78/82/37/721788237.db2.gz WGSSCQZWAVIDCV-RCZVLFRGSA-N 1 0 444.620 3.109 20 0 IGADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165024611 721805882 /nfs/dbraw/zinc/80/58/82/721805882.db2.gz MJOUEQHRNBVCJP-VDGAXYAQSA-N 1 0 434.544 3.267 20 0 IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C[C@H]21 ZINC001165025214 721831346 /nfs/dbraw/zinc/83/13/46/721831346.db2.gz MFPKKAZHAASVBV-VBSBHUPXSA-N 1 0 443.979 3.430 20 0 IGADRO O=S(=O)(c1ccccc1)n1c(N2CC[NH+](C3CCCC3)CC2)cc2c1ncnc2Cl ZINC001165032673 721859025 /nfs/dbraw/zinc/85/90/25/721859025.db2.gz ZBKJMLYDIJTFTO-UHFFFAOYSA-N 1 0 445.976 3.386 20 0 IGADRO CNC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ccc1Cl ZINC001164939680 721928347 /nfs/dbraw/zinc/92/83/47/721928347.db2.gz OEJPLTLBJATOGS-UHFFFAOYSA-N 1 0 428.964 3.274 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(Cn5ccccc5=O)cn4)CC3)C2)cc1 ZINC001164939107 721931404 /nfs/dbraw/zinc/93/14/04/721931404.db2.gz JCNYKRGRRXBNCB-UHFFFAOYSA-N 1 0 444.579 3.471 20 0 IGADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]12 ZINC001164944644 721967057 /nfs/dbraw/zinc/96/70/57/721967057.db2.gz IUZYKNHTVIVVFN-JYFHCDHNSA-N 1 0 434.584 3.325 20 0 IGADRO COc1cc2c[nH+]c(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)cc2cc1OC ZINC001164947366 721979410 /nfs/dbraw/zinc/97/94/10/721979410.db2.gz GWXLOJPSDCPKOJ-UHFFFAOYSA-N 1 0 446.551 3.223 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164950327 722001790 /nfs/dbraw/zinc/00/17/90/722001790.db2.gz HQVHTVQJTWCNMI-ZJDLJICXSA-N 1 0 441.601 3.251 20 0 IGADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc-2n1 ZINC001164951784 722016897 /nfs/dbraw/zinc/01/68/97/722016897.db2.gz DQBCWXJYAPYACH-UHFFFAOYSA-N 1 0 435.528 3.246 20 0 IGADRO CCOC(=O)c1cc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH]c-2n1 ZINC001164962188 722058437 /nfs/dbraw/zinc/05/84/37/722058437.db2.gz PLIHGZAUGFOMJV-UHFFFAOYSA-N 1 0 449.555 3.254 20 0 IGADRO CCOC(=O)c1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1Cl ZINC001164959994 722058928 /nfs/dbraw/zinc/05/89/28/722058928.db2.gz BWFVEROQDMQGLT-UHFFFAOYSA-N 1 0 444.963 3.426 20 0 IGADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164980812 722103035 /nfs/dbraw/zinc/10/30/35/722103035.db2.gz KLDPAGDFZYIKGF-XLIONFOSSA-N 1 0 430.936 3.034 20 0 IGADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983881 722107207 /nfs/dbraw/zinc/10/72/07/722107207.db2.gz QVPICWBEIXZBQV-GOEBONIOSA-N 1 0 444.313 3.451 20 0 IGADRO c1ccc(COc2cnnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982670 722125797 /nfs/dbraw/zinc/12/57/97/722125797.db2.gz XREBYSKMEQQDAP-LADGPHEKSA-N 1 0 431.540 3.178 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164978050 722148410 /nfs/dbraw/zinc/14/84/10/722148410.db2.gz JKDPXASXFDJEQS-GMAHTHKFSA-N 1 0 430.556 3.278 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@@H]3C2)c1 ZINC001164984578 722149773 /nfs/dbraw/zinc/14/97/73/722149773.db2.gz XEFNXLPIMXQQDI-ZJSXRUAMSA-N 1 0 442.567 3.150 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@H]3C2)c1 ZINC001164973932 722151862 /nfs/dbraw/zinc/15/18/62/722151862.db2.gz NNMXDPSPYZTHAQ-SFTDATJTSA-N 1 0 432.528 3.131 20 0 IGADRO NC(=S)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2sccc21 ZINC001164972233 722158231 /nfs/dbraw/zinc/15/82/31/722158231.db2.gz HLJREFZNFKBFIU-APWZRJJASA-N 1 0 439.610 3.053 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCC5)[nH+]c(C)n4)CC[C@@H]32)cs1 ZINC001164987086 722176006 /nfs/dbraw/zinc/17/60/06/722176006.db2.gz MJJNLRKOLJBHOS-VQTJNVASSA-N 1 0 428.606 3.020 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164990833 722184702 /nfs/dbraw/zinc/18/47/02/722184702.db2.gz RZXWWUGXVYIJSU-UYAOXDASSA-N 1 0 434.009 3.015 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(Cl)cc3)nn1)CCC2 ZINC001165000836 722251104 /nfs/dbraw/zinc/25/11/04/722251104.db2.gz VGPOLUSQXHXTNU-UHFFFAOYSA-N 1 0 426.952 3.482 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccccc3nc1N1CCCCC1)CCC2 ZINC001165002847 722256113 /nfs/dbraw/zinc/25/61/13/722256113.db2.gz UHONVWVSNIXTOF-UHFFFAOYSA-N 1 0 449.603 3.305 20 0 IGADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c2ccccc21 ZINC001164390770 718823486 /nfs/dbraw/zinc/82/34/86/718823486.db2.gz QQPRLVKRPVZMDL-FUHWJXTLSA-N 1 0 433.890 3.401 20 0 IGADRO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@@H]3C2)c(Cl)nn1 ZINC001164399863 718844284 /nfs/dbraw/zinc/84/42/84/718844284.db2.gz IJEHEYGHLFULOV-GFCCVEGCSA-N 1 0 447.839 3.455 20 0 IGADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(-c3ccccc3C(F)(F)F)nnc1Cl)C2 ZINC001164403804 718854841 /nfs/dbraw/zinc/85/48/41/718854841.db2.gz IUTVINCADRZDFY-APPDUMDISA-N 1 0 448.823 3.379 20 0 IGADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164404243 718863720 /nfs/dbraw/zinc/86/37/20/718863720.db2.gz ANGDXDZXWLXKQZ-PKOBYXMFSA-N 1 0 441.645 3.371 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164408483 718864385 /nfs/dbraw/zinc/86/43/85/718864385.db2.gz MEXSEYDGMRFAPC-AOIWGVFYSA-N 1 0 441.645 3.227 20 0 IGADRO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164426121 718918426 /nfs/dbraw/zinc/91/84/26/718918426.db2.gz WSANAKAWGQKHQZ-FQEVSTJZSA-N 1 0 439.890 3.412 20 0 IGADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)cnc1Cl ZINC001164430785 718948579 /nfs/dbraw/zinc/94/85/79/718948579.db2.gz YILKKNOMONAURO-JKSUJKDBSA-N 1 0 427.904 3.149 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164614960 719007672 /nfs/dbraw/zinc/00/76/72/719007672.db2.gz GZLHJJARMDWCFY-KUHUBIRLSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164615267 719020072 /nfs/dbraw/zinc/02/00/72/719020072.db2.gz HWEHTNZZFQYGHU-DQYPLSBCSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(Cl)cc3-c3ccncc3)CC2)CC1 ZINC001164614181 719022809 /nfs/dbraw/zinc/02/28/09/719022809.db2.gz OUIYLWHYRZGOAU-UHFFFAOYSA-N 1 0 429.952 3.436 20 0 IGADRO CCOC(=O)c1cc2cccnc2nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164616442 719026463 /nfs/dbraw/zinc/02/64/63/719026463.db2.gz FEBPMWFJBKOJBV-UHFFFAOYSA-N 1 0 440.544 3.050 20 0 IGADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620173 719044372 /nfs/dbraw/zinc/04/43/72/719044372.db2.gz FMGZQKRCYMNLEJ-UWJYYQICSA-N 1 0 449.933 3.095 20 0 IGADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC001164632946 719171435 /nfs/dbraw/zinc/17/14/35/719171435.db2.gz GAIBVQVZWCFKFB-GJZGRUSLSA-N 1 0 433.965 3.159 20 0 IGADRO CC(C)C[NH+]1CCN(c2cc3c(ncnc3Cl)n2S(=O)(=O)c2ccccc2)CC1 ZINC001164657635 719336059 /nfs/dbraw/zinc/33/60/59/719336059.db2.gz VPNMCVFCFYIHGQ-UHFFFAOYSA-N 1 0 433.965 3.100 20 0 IGADRO O=S(=O)(c1ccccc1)N(c1ncccc1CN1CCCC1)[C@@H]1CCC12CC[NH2+]CC2 ZINC001164687008 719592468 /nfs/dbraw/zinc/59/24/68/719592468.db2.gz PXZOUYXMMDRIIM-JOCHJYFZSA-N 1 0 440.613 3.405 20 0 IGADRO CC(C)N(C)Cc1nn(C(F)(F)Cc2nc3c(ncnc3Cl)s2)c2c1CC[NH2+]C2 ZINC001164681887 719654587 /nfs/dbraw/zinc/65/45/87/719654587.db2.gz RWPMAWCEBGVSLK-UHFFFAOYSA-N 1 0 441.939 3.214 20 0 IGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCSCC4)ncn2)CC3)cs1 ZINC001164691307 719815091 /nfs/dbraw/zinc/81/50/91/719815091.db2.gz FJMWPQQYNGWADJ-UHFFFAOYSA-N 1 0 430.647 3.430 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703849 719877158 /nfs/dbraw/zinc/87/71/58/719877158.db2.gz KYRIBCAIHAIRBQ-SGIRGMQISA-N 1 0 444.620 3.251 20 0 IGADRO COCc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1C[NH2+]C2 ZINC001164713809 720079698 /nfs/dbraw/zinc/07/96/98/720079698.db2.gz UPGINHJTBMEJLF-AWEZNQCLSA-N 1 0 438.601 3.347 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1C(=O)OC)C2 ZINC001164810077 720102004 /nfs/dbraw/zinc/10/20/04/720102004.db2.gz JPHKCOHQMKMWAC-YWZLYKJASA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164810457 720127752 /nfs/dbraw/zinc/12/77/52/720127752.db2.gz JWIBJRCKIAUNIR-UZLBHIALSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N3CCCC3)ccn1)CC2 ZINC001164714575 720130191 /nfs/dbraw/zinc/13/01/91/720130191.db2.gz XIAUOCPHAFTSSJ-QHCPKHFHSA-N 1 0 449.599 3.220 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164712233 720137596 /nfs/dbraw/zinc/13/75/96/720137596.db2.gz LJZVWYFVEIDESN-MRXNPFEDSA-N 1 0 442.614 3.278 20 0 IGADRO Cn1nnc2c1CCN(c1nc3ccccc3cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164717682 720176354 /nfs/dbraw/zinc/17/63/54/720176354.db2.gz LKEGTNQJVREIAK-FQEVSTJZSA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1cccc(OCc3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713296 720191600 /nfs/dbraw/zinc/19/16/00/720191600.db2.gz APGHTMHPZNKHCA-JOCHJYFZSA-N 1 0 448.571 3.005 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)ccc1F)CCC2 ZINC001164812871 720221949 /nfs/dbraw/zinc/22/19/49/720221949.db2.gz JXTIRKGAOSGIST-UHFFFAOYSA-N 1 0 429.874 3.226 20 0 IGADRO Cc1ccc(Cl)nc1C(F)(F)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812821 720228320 /nfs/dbraw/zinc/22/83/20/720228320.db2.gz IUTCYFQUSNSWMP-UHFFFAOYSA-N 1 0 425.911 3.396 20 0 IGADRO CCOc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)cc1 ZINC001164813323 720240255 /nfs/dbraw/zinc/24/02/55/720240255.db2.gz MSKUQTZEEITTLU-UHFFFAOYSA-N 1 0 448.571 3.350 20 0 IGADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC001164821638 720293330 /nfs/dbraw/zinc/29/33/30/720293330.db2.gz LQOHWQIQJKNVRO-QZTJIDSGSA-N 1 0 426.939 3.500 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCCCC3)CC1 ZINC001164820010 720315349 /nfs/dbraw/zinc/31/53/49/720315349.db2.gz GFLBREROMCSMBK-WOJBJXKFSA-N 1 0 432.012 3.310 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ccc2CN2CCCC2)CC1 ZINC001164825452 720323751 /nfs/dbraw/zinc/32/37/51/720323751.db2.gz FEMHPLAKJDSOLC-SFTDATJTSA-N 1 0 446.039 3.242 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001164822339 720344863 /nfs/dbraw/zinc/34/48/63/720344863.db2.gz DHUJPVFVCCMDAR-RTWAWAEBSA-N 1 0 441.526 3.333 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164822244 720346554 /nfs/dbraw/zinc/34/65/54/720346554.db2.gz CQQIDPAIHVTKJD-VXKWHMMOSA-N 1 0 434.588 3.067 20 0 IGADRO COc1cc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829580 720351642 /nfs/dbraw/zinc/35/16/42/720351642.db2.gz SPFOBNAUFNPSBU-VXKWHMMOSA-N 1 0 438.572 3.164 20 0 IGADRO COc1cc2ccnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1F ZINC001164831623 720352421 /nfs/dbraw/zinc/35/24/21/720352421.db2.gz ZFUXWVGYZKZCOG-NHCUHLMSSA-N 1 0 426.536 3.294 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3[nH]c4cc(F)ccc4c32)CC1 ZINC001164828700 720355443 /nfs/dbraw/zinc/35/54/43/720355443.db2.gz PKTRWWCMYDTSNQ-VQTJNVASSA-N 1 0 436.535 3.162 20 0 IGADRO Cc1sc2nc(CN3CCCC3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164733956 720524732 /nfs/dbraw/zinc/52/47/32/720524732.db2.gz NHZKBZOUMVBXTI-SFHVURJKSA-N 1 0 439.633 3.298 20 0 IGADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164734282 720546017 /nfs/dbraw/zinc/54/60/17/720546017.db2.gz HSTUFPJLLOATGD-YJYMSZOUSA-N 1 0 436.906 3.451 20 0 IGADRO CCOC(=O)c1sc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1C ZINC001164734319 720550041 /nfs/dbraw/zinc/55/00/41/720550041.db2.gz YYRLNHMEGYOTMH-UHFFFAOYSA-N 1 0 440.573 3.031 20 0 IGADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164727310 720569613 /nfs/dbraw/zinc/56/96/13/720569613.db2.gz DKLCXLHSYSKQKA-UHFFFAOYSA-N 1 0 430.984 3.118 20 0 IGADRO CSc1nc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2s1 ZINC001164835466 720572736 /nfs/dbraw/zinc/57/27/36/720572736.db2.gz HJNUQCGFQLUVCX-BZUAXINKSA-N 1 0 429.619 3.383 20 0 IGADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164841112 720674367 /nfs/dbraw/zinc/67/43/67/720674367.db2.gz PFOFIRMYTOGJLN-LJQANCHMSA-N 1 0 449.555 3.395 20 0 IGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164839906 720697016 /nfs/dbraw/zinc/69/70/16/720697016.db2.gz CTWPIXPUVBMBSQ-INIZCTEOSA-N 1 0 444.938 3.377 20 0 IGADRO CSc1ccc(Oc2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164739935 720742936 /nfs/dbraw/zinc/74/29/36/720742936.db2.gz JYSCNELEJSTIRX-FUHWJXTLSA-N 1 0 436.541 3.123 20 0 IGADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752744 720812287 /nfs/dbraw/zinc/81/22/87/720812287.db2.gz ZQHSLASGCGLTPO-ZMSDIMECSA-N 1 0 440.901 3.390 20 0 IGADRO Fc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164741537 720825813 /nfs/dbraw/zinc/82/58/13/720825813.db2.gz NXGQRVOKWLMURO-QGPMSJSTSA-N 1 0 440.901 3.390 20 0 IGADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(OCc5ccccc5)cnn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750999 720834894 /nfs/dbraw/zinc/83/48/94/720834894.db2.gz XOOUABRHCFDCFD-CQOQZXRMSA-N 1 0 445.571 3.027 20 0 IGADRO COc1cc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1OC ZINC001164751119 720835200 /nfs/dbraw/zinc/83/52/00/720835200.db2.gz YNKDVOKXZQXUPQ-RZUBCFFCSA-N 1 0 448.571 3.223 20 0 IGADRO Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740033 720842181 /nfs/dbraw/zinc/84/21/81/720842181.db2.gz BOZOGJFDQOISBE-VDZJLULYSA-N 1 0 441.942 3.393 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164750330 720850350 /nfs/dbraw/zinc/85/03/50/720850350.db2.gz XGVDMKIUFPIZFA-YZUZCNPQSA-N 1 0 445.571 3.123 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@@H]2C1 ZINC001164853727 720851777 /nfs/dbraw/zinc/85/17/77/720851777.db2.gz OTALPLACKPLMPD-KDOFPFPSSA-N 1 0 426.895 3.002 20 0 IGADRO Fc1ccc2c(Cl)nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747607 720854075 /nfs/dbraw/zinc/85/40/75/720854075.db2.gz IGENLSRETUPOKP-RIFZZMRRSA-N 1 0 441.942 3.393 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC[C@H]2C1 ZINC001164854461 720874674 /nfs/dbraw/zinc/87/46/74/720874674.db2.gz FGLRLPCMSJULCS-KXBFYZLASA-N 1 0 436.915 3.235 20 0 IGADRO 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COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C)cc3)CC[C@H]2C1 ZINC001164853765 720888885 /nfs/dbraw/zinc/88/88/85/720888885.db2.gz CRINLIZFSYJSJJ-PXNSSMCTSA-N 1 0 432.952 3.404 20 0 IGADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4cccnc4n2)C3)c1 ZINC001164755970 720892703 /nfs/dbraw/zinc/89/27/03/720892703.db2.gz NVADXEXWOBEBHG-WIOPSUGQSA-N 1 0 430.556 3.175 20 0 IGADRO Cc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCC2 ZINC001164758166 720901779 /nfs/dbraw/zinc/90/17/79/720901779.db2.gz XIFHYUVPSDUEEK-NVQXNPDNSA-N 1 0 433.600 3.424 20 0 IGADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)C1=O ZINC001164863370 720994109 /nfs/dbraw/zinc/99/41/09/720994109.db2.gz UTGBPBWQMLGWPV-CQSZACIVSA-N 1 0 431.972 3.112 20 0 IGADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1 ZINC001164856309 721007510 /nfs/dbraw/zinc/00/75/10/721007510.db2.gz BFKPRYHFRJODJX-SFHVURJKSA-N 1 0 448.637 3.024 20 0 IGADRO 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722082608 /nfs/dbraw/zinc/08/26/08/722082608.db2.gz STEWAUXLUJKJBS-XZOQPEGZSA-N 1 0 438.547 3.070 20 0 IGADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164981551 722097878 /nfs/dbraw/zinc/09/78/78/722097878.db2.gz LROJYCKSEOUYCN-PQNGQFLHSA-N 1 0 435.572 3.102 20 0 IGADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974659 722099898 /nfs/dbraw/zinc/09/98/98/722099898.db2.gz BFJGDAKKSSMEGS-YLJYHZDGSA-N 1 0 430.936 3.034 20 0 IGADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164980814 722102827 /nfs/dbraw/zinc/10/28/27/722102827.db2.gz KLDPAGDFZYIKGF-YLJYHZDGSA-N 1 0 430.936 3.034 20 0 IGADRO O=C(NC1CCCCC1)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986103 722102995 /nfs/dbraw/zinc/10/29/95/722102995.db2.gz YANBDNBJAFLNGK-XUZZJYLKSA-N 1 0 449.599 3.266 20 0 IGADRO c1ccc(COc2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164983921 722105930 /nfs/dbraw/zinc/10/59/30/722105930.db2.gz RCFRUVJMDXURQO-GOTSBHOMSA-N 1 0 431.540 3.178 20 0 IGADRO Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971401 722109891 /nfs/dbraw/zinc/10/98/91/722109891.db2.gz BXXCITBALYPLQX-WOJBJXKFSA-N 1 0 436.947 3.314 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164973892 722115137 /nfs/dbraw/zinc/11/51/37/722115137.db2.gz HVEKDBQXWGFKSO-WMZOPIPTSA-N 1 0 438.906 3.411 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982001 722119885 /nfs/dbraw/zinc/11/98/85/722119885.db2.gz VPYILDWYERGWRF-VGSWGCGISA-N 1 0 439.947 3.414 20 0 IGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164979646 722136221 /nfs/dbraw/zinc/13/62/21/722136221.db2.gz LQDMBZWZIOPKIR-LPHOPBHVSA-N 1 0 426.952 3.296 20 0 IGADRO Clc1nc2c(Cl)nccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979680 722137785 /nfs/dbraw/zinc/13/77/85/722137785.db2.gz LSYCPITZRFFEAF-DOTOQJQBSA-N 1 0 445.354 3.454 20 0 IGADRO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982708 722143242 /nfs/dbraw/zinc/14/32/42/722143242.db2.gz SETMZUXMSALMOM-APWZRJJASA-N 1 0 449.933 3.286 20 0 IGADRO Fc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccsc1 ZINC001164977200 722154955 /nfs/dbraw/zinc/15/49/55/722154955.db2.gz YGACMOUUOZXGBT-FXAWDEMLSA-N 1 0 425.533 3.467 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CCC2 ZINC001165002717 722255491 /nfs/dbraw/zinc/25/54/91/722255491.db2.gz TYPFNCZREWNGET-UHFFFAOYSA-N 1 0 439.951 3.450 20 0 IGADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165003850 722257685 /nfs/dbraw/zinc/25/76/85/722257685.db2.gz JNZUFMDJTXASJE-UHFFFAOYSA-N 1 0 441.967 3.185 20 0 IGADRO C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164391747 718824699 /nfs/dbraw/zinc/82/46/99/718824699.db2.gz WXAZVKZFJQANEM-QZTJIDSGSA-N 1 0 427.618 3.123 20 0 IGADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCO[C@H]5C[NH2+]CC[C@H]5C3)n2)CCC4)CC1 ZINC001164407774 718864257 /nfs/dbraw/zinc/86/42/57/718864257.db2.gz JTEYNBRWVUFAFF-HKUYNNGSSA-N 1 0 441.645 3.227 20 0 IGADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425600 718914555 /nfs/dbraw/zinc/91/45/55/718914555.db2.gz TXUULFPWFPEISK-KRWDZBQOSA-N 1 0 433.286 3.067 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164619859 719006839 /nfs/dbraw/zinc/00/68/39/719006839.db2.gz XEIJEOBSCDMBSJ-KUHUBIRLSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164614206 719007503 /nfs/dbraw/zinc/00/75/03/719007503.db2.gz DHRVDLADYIQQCU-SGTLLEGYSA-N 1 0 449.329 3.478 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164614957 719007522 /nfs/dbraw/zinc/00/75/22/719007522.db2.gz GZLHJJARMDWCFY-IFXJQAMLSA-N 1 0 428.911 3.133 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164618665 719009601 /nfs/dbraw/zinc/00/96/01/719009601.db2.gz SENFBUYJGCJNEI-AUUYWEPGSA-N 1 0 428.911 3.011 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164616586 719009977 /nfs/dbraw/zinc/00/99/77/719009977.db2.gz LEAXBKXHJQAMTO-KZULUSFZSA-N 1 0 446.951 3.113 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164618811 719019670 /nfs/dbraw/zinc/01/96/70/719019670.db2.gz TWVDBEZXXUMGEO-ZLIFDBKOSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc4cc(C(=O)OC)ccc43)CC2)CC1 ZINC001164614209 719025169 /nfs/dbraw/zinc/02/51/69/719025169.db2.gz PRIGGIKDMJNQFS-UHFFFAOYSA-N 1 0 425.529 3.265 20 0 IGADRO CCOC(=O)c1ccc2ncnc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)c2c1 ZINC001164616428 719026584 /nfs/dbraw/zinc/02/65/84/719026584.db2.gz DWHQEVAAJHLXLH-UHFFFAOYSA-N 1 0 440.544 3.050 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3[nH]c(Cl)cc4nc(C(=O)OC)cc3-4)CC2)CC1 ZINC001164617418 719029217 /nfs/dbraw/zinc/02/92/17/719029217.db2.gz LJYZMUOZBJVJII-UHFFFAOYSA-N 1 0 448.951 3.247 20 0 IGADRO CCOC(=O)c1cc2ncnc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)c2s1 ZINC001164616361 719029572 /nfs/dbraw/zinc/02/95/72/719029572.db2.gz BVISMDBHDVCNQI-UHFFFAOYSA-N 1 0 446.573 3.112 20 0 IGADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164626841 719097759 /nfs/dbraw/zinc/09/77/59/719097759.db2.gz JEKMLIAVYZUVHR-IRLDBZIGSA-N 1 0 428.602 3.213 20 0 IGADRO CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2)C1=O ZINC001164630416 719100997 /nfs/dbraw/zinc/10/09/97/719100997.db2.gz WEWLGCQUXFVYED-SFTDATJTSA-N 1 0 433.556 3.013 20 0 IGADRO O=S(=O)(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC001164628121 719103267 /nfs/dbraw/zinc/10/32/67/719103267.db2.gz MCFWMJVSEIZAET-YADHBBJMSA-N 1 0 440.613 3.357 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(COCC(=O)N(C)C)c3C2)nc1 ZINC001164662182 719341764 /nfs/dbraw/zinc/34/17/64/719341764.db2.gz OITINIFJVVQTET-OAQYLSRUSA-N 1 0 441.576 3.174 20 0 IGADRO Cc1c[nH]c2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164685216 719655340 /nfs/dbraw/zinc/65/53/40/719655340.db2.gz YOBBLWNMUXRUMA-LJQANCHMSA-N 1 0 446.599 3.360 20 0 IGADRO CSc1nccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681388 719657721 /nfs/dbraw/zinc/65/77/21/719657721.db2.gz NIQLQZIIFMNHMH-GOSISDBHSA-N 1 0 439.629 3.292 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4cnccc43)CC2)c2ccccc21 ZINC001164682920 719660295 /nfs/dbraw/zinc/66/02/95/719660295.db2.gz UAROLCVLRHUQGB-LJQANCHMSA-N 1 0 444.583 3.118 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncnc3Cl)CC2)c2ccccc21 ZINC001164680654 719660487 /nfs/dbraw/zinc/66/04/87/719660487.db2.gz GYLAEMOZRWMIJL-QGZVFWFLSA-N 1 0 427.980 3.223 20 0 IGADRO Cn1ccc2c1ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683358 719660735 /nfs/dbraw/zinc/66/07/35/719660735.db2.gz VCMXDDBHEQQRGM-LJQANCHMSA-N 1 0 446.599 3.062 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1C)CC2 ZINC001164689605 719753399 /nfs/dbraw/zinc/75/33/99/719753399.db2.gz JAHAAEFELWQTTC-UHFFFAOYSA-N 1 0 429.952 3.412 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)CC2 ZINC001164689366 719756001 /nfs/dbraw/zinc/75/60/01/719756001.db2.gz CVDNWVLZKVIPEG-UHFFFAOYSA-N 1 0 433.915 3.242 20 0 IGADRO O=C1C[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)N1Cc1cccnc1 ZINC001164691060 719765513 /nfs/dbraw/zinc/76/55/13/719765513.db2.gz KQOGXBLAKPNRRY-LOSJGSFVSA-N 1 0 439.563 3.415 20 0 IGADRO COC(=O)c1nc2cnccc2c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164694381 719810492 /nfs/dbraw/zinc/81/04/92/719810492.db2.gz WPHHZRYFCCBPFR-UHFFFAOYSA-N 1 0 438.557 3.211 20 0 IGADRO CCOC(=O)c1cc(C)cnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164718650 720118516 /nfs/dbraw/zinc/11/85/16/720118516.db2.gz UIQFNQGKTAHPJL-OAQYLSRUSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)C2 ZINC001164807300 720127564 /nfs/dbraw/zinc/12/75/64/720127564.db2.gz BUKVIKPJHBRAQX-JPYJTQIMSA-N 1 0 435.012 3.448 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001164814438 720128022 /nfs/dbraw/zinc/12/80/22/720128022.db2.gz SOALMGHIBGVTDO-HXOBKFHXSA-N 1 0 435.012 3.448 20 0 IGADRO CCOC(=O)c1cc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2s1 ZINC001164810485 720144665 /nfs/dbraw/zinc/14/46/65/720144665.db2.gz JXEMKJYXBULKEY-OPAMFIHVSA-N 1 0 430.574 3.053 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164819744 720155523 /nfs/dbraw/zinc/15/55/23/720155523.db2.gz XYKFVCPDNMXPHO-UZLBHIALSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164820156 720178061 /nfs/dbraw/zinc/17/80/61/720178061.db2.gz ZSDOTNPMOGHTNK-KUHUBIRLSA-N 1 0 425.911 3.341 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164816351 720179967 /nfs/dbraw/zinc/17/99/67/720179967.db2.gz KZSCQAZOUMLCGS-RYGJVYDSSA-N 1 0 448.917 3.120 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3c(Cl)cccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718832 720180670 /nfs/dbraw/zinc/18/06/70/720180670.db2.gz SELVNQJHVZRMRN-FQEVSTJZSA-N 1 0 426.952 3.233 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)C2 ZINC001164814399 720182668 /nfs/dbraw/zinc/18/26/68/720182668.db2.gz GCJNQBFANUMWRC-CLOONOSVSA-N 1 0 438.572 3.346 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)C2 ZINC001164818391 720189134 /nfs/dbraw/zinc/18/91/34/720189134.db2.gz SLYXDXDXLZWPRP-BWKNWUBXSA-N 1 0 435.572 3.222 20 0 IGADRO CC(C)c1ccc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164713431 720197622 /nfs/dbraw/zinc/19/76/22/720197622.db2.gz 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IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccnc2C2SCCCS2)CC1 ZINC001164821933 720308749 /nfs/dbraw/zinc/30/87/49/720308749.db2.gz LZIQWXLWHIOEDL-ZWKOTPCHSA-N 1 0 447.674 3.257 20 0 IGADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821110 720309679 /nfs/dbraw/zinc/30/96/79/720309679.db2.gz JOKJXAZDTVSHGK-ZWKOTPCHSA-N 1 0 448.995 3.132 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827878 720319631 /nfs/dbraw/zinc/31/96/31/720319631.db2.gz IZGLAONUHLURAY-WOJBJXKFSA-N 1 0 443.979 3.203 20 0 IGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828435 720322830 /nfs/dbraw/zinc/32/28/30/720322830.db2.gz JLWJNTJXYYRDIM-RBUKOAKNSA-N 1 0 448.995 3.132 20 0 IGADRO CCCN(CCC)c1cncc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824764 720329546 /nfs/dbraw/zinc/32/95/46/720329546.db2.gz DFQJYLSOFNUYAB-SFTDATJTSA-N 1 0 428.625 3.015 20 0 IGADRO 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CSc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888072 721388199 /nfs/dbraw/zinc/38/81/99/721388199.db2.gz JFFCYHSGOZOQPC-KKSFZXQISA-N 1 0 433.647 3.179 20 0 IGADRO Cc1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1Cl ZINC001164892861 721415695 /nfs/dbraw/zinc/41/56/95/721415695.db2.gz YZAQPNCUFHDTFE-PXNSSMCTSA-N 1 0 428.955 3.354 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccccc4)C3)O2)CC1 ZINC001164892212 721432332 /nfs/dbraw/zinc/43/23/32/721432332.db2.gz HSLJVZBZYDWPEM-OZXSUGGESA-N 1 0 436.600 3.426 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164892215 721440092 /nfs/dbraw/zinc/44/00/92/721440092.db2.gz HTUVIXKXSRRAJV-QPPBQGQZSA-N 1 0 441.551 3.173 20 0 IGADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1-c1ccccc1F ZINC001164887146 721448344 /nfs/dbraw/zinc/44/83/44/721448344.db2.gz IXZAXXADMONGFJ-CJFMBICVSA-N 1 0 439.579 3.357 20 0 IGADRO 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IGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nc(Cl)nc3C(N)=O)C[C@@H]21 ZINC001165025230 721815228 /nfs/dbraw/zinc/81/52/28/721815228.db2.gz MAYKWRQJVYOVBP-AEGPPILISA-N 1 0 435.359 3.014 20 0 IGADRO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025481 721820751 /nfs/dbraw/zinc/82/07/51/721820751.db2.gz MXIQZGJZRXZBQU-FBBABVLZSA-N 1 0 448.571 3.277 20 0 IGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C(=O)N2CCCC2)CC1 ZINC001165018337 721837856 /nfs/dbraw/zinc/83/78/56/721837856.db2.gz XIRDWVZZLQAAMN-UHFFFAOYSA-N 1 0 438.572 3.436 20 0 IGADRO CCOC(=O)c1cnc(Cl)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019296 721837956 /nfs/dbraw/zinc/83/79/56/721837956.db2.gz CGPJTNIFVDMERV-UHFFFAOYSA-N 1 0 448.951 3.425 20 0 IGADRO COC(=O)c1nc(Cl)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022044 721841163 /nfs/dbraw/zinc/84/11/63/721841163.db2.gz NVNYGTVYZUFZJC-UHFFFAOYSA-N 1 0 434.924 3.035 20 0 IGADRO 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722054173 /nfs/dbraw/zinc/05/41/73/722054173.db2.gz BBLLITGIFRXKIL-UHFFFAOYSA-N 1 0 430.936 3.036 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982845 722099352 /nfs/dbraw/zinc/09/93/52/722099352.db2.gz PJVARSORUXQIKZ-IEBWSBKVSA-N 1 0 430.936 3.034 20 0 IGADRO COc1cc2nc(C)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164982478 722119365 /nfs/dbraw/zinc/11/93/65/722119365.db2.gz WQADPYMMFBUGRH-NTKDMRAZSA-N 1 0 449.555 3.078 20 0 IGADRO COc1ccc2nc(Cl)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164983764 722122555 /nfs/dbraw/zinc/12/25/55/722122555.db2.gz ZZGUVYIYLKXMRF-PXNSSMCTSA-N 1 0 439.947 3.414 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164972440 722123178 /nfs/dbraw/zinc/12/31/78/722123178.db2.gz FJQPCRMFCWBHHD-PXNSSMCTSA-N 1 0 439.947 3.414 20 0 IGADRO c1ccc2c(c1)CCc1cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc1-2 ZINC001164982287 722134200 /nfs/dbraw/zinc/13/42/00/722134200.db2.gz RNVYZQOSMSFYAI-UPVQGACJSA-N 1 0 427.552 3.365 20 0 IGADRO CCOC(=O)c1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164974174 722134989 /nfs/dbraw/zinc/13/49/89/722134989.db2.gz CLLAGKREDGPCNQ-HKUYNNGSSA-N 1 0 430.936 3.034 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164973384 722139619 /nfs/dbraw/zinc/13/96/19/722139619.db2.gz CAYTWHUUAHENNE-QPPBQGQZSA-N 1 0 431.540 3.275 20 0 IGADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980258 722144991 /nfs/dbraw/zinc/14/49/91/722144991.db2.gz MFZYUVPKVRFQJX-OFNKIYASSA-N 1 0 432.524 3.144 20 0 IGADRO COc1ccccc1-c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164980884 722145150 /nfs/dbraw/zinc/14/51/50/722145150.db2.gz NHPJZEXDYSHTPV-HYBUGGRVSA-N 1 0 431.540 3.275 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975235 722145227 /nfs/dbraw/zinc/14/52/27/722145227.db2.gz GDGHMLCIXPJPPQ-XUZZJYLKSA-N 1 0 431.540 3.275 20 0 IGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncccc4C[NH+]4CCCC4)CC[C@H]32)cs1 ZINC001164990906 722186558 /nfs/dbraw/zinc/18/65/58/722186558.db2.gz SIBCNIBHPPQXMF-FGZHOGPDSA-N 1 0 427.618 3.312 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](OCCOC)[C@H]2Cc2cnn(C)c2)nc1 ZINC001164998395 722224982 /nfs/dbraw/zinc/22/49/82/722224982.db2.gz BHBXFRLUIGMKFM-DNVJHFABSA-N 1 0 427.593 3.215 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](OCCOC)[C@@H]2Cc2cnn(C)c2)nc1 ZINC001164998396 722225067 /nfs/dbraw/zinc/22/50/67/722225067.db2.gz BHBXFRLUIGMKFM-VJBWXMMDSA-N 1 0 427.593 3.215 20 0 IGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc1 ZINC001165002259 722239881 /nfs/dbraw/zinc/23/98/81/722239881.db2.gz SFQCVGGEILWVTQ-DEOSSOPVSA-N 1 0 449.647 3.166 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3cccnc3)nc3ccccc31)CCC2 ZINC001165004887 722256229 /nfs/dbraw/zinc/25/62/29/722256229.db2.gz WIXHVGXLTINWAV-UHFFFAOYSA-N 1 0 443.555 3.377 20 0 IGADRO OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164401614 718853198 /nfs/dbraw/zinc/85/31/98/718853198.db2.gz CKFXROWHVBLZHJ-KBMIEXCESA-N 1 0 449.624 3.362 20 0 IGADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCO[C@H]5C[NH2+]CC[C@@H]5C3)n2)CCC4)CC1 ZINC001164407776 718864348 /nfs/dbraw/zinc/86/43/48/718864348.db2.gz JTEYNBRWVUFAFF-MJGOQNOKSA-N 1 0 441.645 3.227 20 0 IGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)[C@@H]2C)n1 ZINC001164428252 718952090 /nfs/dbraw/zinc/95/20/90/718952090.db2.gz ILBIKGBPTRTHNV-NRFANRHFSA-N 1 0 449.599 3.167 20 0 IGADRO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164435061 718982240 /nfs/dbraw/zinc/98/22/40/718982240.db2.gz YIPZFAZORDOYBM-YLJYHZDGSA-N 1 0 441.906 3.205 20 0 IGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164617904 719009377 /nfs/dbraw/zinc/00/93/77/719009377.db2.gz QLHAXXOQIGLYNB-NTKDMRAZSA-N 1 0 447.023 3.480 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164615297 719019687 /nfs/dbraw/zinc/01/96/87/719019687.db2.gz IGGIPNVKCZKCCN-GOPGUHFVSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164615265 719020252 /nfs/dbraw/zinc/02/02/52/719020252.db2.gz HWEHTNZZFQYGHU-AFAVFJNCSA-N 1 0 440.853 3.211 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)NC3CCCCC3)CC2)CC1 ZINC001164614395 719021859 /nfs/dbraw/zinc/02/18/59/719021859.db2.gz SAYWADTVMWZUQK-UHFFFAOYSA-N 1 0 442.604 3.388 20 0 IGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccnc(NC(=O)OC(C)(C)C)n3)CC2)CC1 ZINC001164614765 719024396 /nfs/dbraw/zinc/02/43/96/719024396.db2.gz YCHIYQXAGJEXNW-UHFFFAOYSA-N 1 0 433.553 3.068 20 0 IGADRO CCOC(=O)C1CCN(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)CC1 ZINC001164629065 719087290 /nfs/dbraw/zinc/08/72/90/719087290.db2.gz QTFGMHYFBSATJF-DHIUTWEWSA-N 1 0 449.599 3.357 20 0 IGADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)[C@H]3C2)cc1 ZINC001164621877 719096683 /nfs/dbraw/zinc/09/66/83/719096683.db2.gz BIWYZKFHAUSSSX-YADHBBJMSA-N 1 0 433.604 3.173 20 0 IGADRO CSc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164679956 719660103 /nfs/dbraw/zinc/66/01/03/719660103.db2.gz BHOOCCOVHOFOPX-SFHVURJKSA-N 1 0 439.629 3.292 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(C4CC4)cn3)CC2)c2ccccc21 ZINC001164680844 719669164 /nfs/dbraw/zinc/66/91/64/719669164.db2.gz HZHGNVJAXVZMFX-HXUWFJFHSA-N 1 0 433.600 3.447 20 0 IGADRO COc1cc(C)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680853 719675482 /nfs/dbraw/zinc/67/54/82/719675482.db2.gz IBSXXYZOWSWBKD-HXUWFJFHSA-N 1 0 436.600 3.492 20 0 IGADRO Cc1nc2c(c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n1)CCC2 ZINC001164681815 719675735 /nfs/dbraw/zinc/67/57/35/719675735.db2.gz NRKIISJFUCCJLD-HXUWFJFHSA-N 1 0 447.627 3.367 20 0 IGADRO CSc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686822 719679525 /nfs/dbraw/zinc/67/95/25/719679525.db2.gz XEENXUWFLBORRH-GOSISDBHSA-N 1 0 439.629 3.292 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164689544 719738667 /nfs/dbraw/zinc/73/86/67/719738667.db2.gz HFBFZVPEFIQGKJ-UHFFFAOYSA-N 1 0 433.915 3.242 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)CC2 ZINC001164689546 719740797 /nfs/dbraw/zinc/74/07/97/719740797.db2.gz HGOFRGWTNYUCTF-LJQANCHMSA-N 1 0 436.604 3.189 20 0 IGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)CC2 ZINC001164689880 719755104 /nfs/dbraw/zinc/75/51/04/719755104.db2.gz NMUAXECDUCDISH-UHFFFAOYSA-N 1 0 445.951 3.112 20 0 IGADRO O=C1NCc2c1c(N1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)nc(Cl)c2F ZINC001164697472 719893546 /nfs/dbraw/zinc/89/35/46/719893546.db2.gz KDEQHUCFSMANOD-UHFFFAOYSA-N 1 0 436.940 3.050 20 0 IGADRO O=C(c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1)N1CCCC1 ZINC001164696655 719896073 /nfs/dbraw/zinc/89/60/73/719896073.db2.gz GNRXFTREIMSRGM-UHFFFAOYSA-N 1 0 426.586 3.251 20 0 IGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(N3CCCC3)n1)CC2 ZINC001164710017 720092731 /nfs/dbraw/zinc/09/27/31/720092731.db2.gz FMNYEWNTCXMXCD-QFIPXVFZSA-N 1 0 436.604 3.288 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164710653 720093994 /nfs/dbraw/zinc/09/39/94/720093994.db2.gz KNUFVLLKGIGTAV-JOCHJYFZSA-N 1 0 436.604 3.369 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164809253 720096427 /nfs/dbraw/zinc/09/64/27/720096427.db2.gz IZPBYZXUIAURQY-JXFKEZNVSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cc(C(=O)OC)ccc31)C2 ZINC001164813831 720119308 /nfs/dbraw/zinc/11/93/08/720119308.db2.gz RBNWMQOZFWSADZ-UZUQRXQVSA-N 1 0 444.963 3.255 20 0 IGADRO CCOC(=O)c1cc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2s1 ZINC001164810481 720144736 /nfs/dbraw/zinc/14/47/36/720144736.db2.gz JXEMKJYXBULKEY-AOMKIAJQSA-N 1 0 430.574 3.053 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3cc(Cl)ccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713422 720170934 /nfs/dbraw/zinc/17/09/34/720170934.db2.gz KCKQVWTTYFWUJP-FQEVSTJZSA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccsc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719177 720176061 /nfs/dbraw/zinc/17/60/61/720176061.db2.gz TXOOTSSYYUYUHM-QGZVFWFLSA-N 1 0 432.981 3.294 20 0 IGADRO Cn1nnc2c1CCN(c1ccc3cccc(Cl)c3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719172 720177332 /nfs/dbraw/zinc/17/73/32/720177332.db2.gz TXBZXVKIRNJKGY-IBGZPJMESA-N 1 0 426.952 3.233 20 0 IGADRO Cn1nnc2c1CCN(c1nccc3cccc(Cl)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715428 720183529 /nfs/dbraw/zinc/18/35/29/720183529.db2.gz BUPOKMKIPMAPAW-IBGZPJMESA-N 1 0 426.952 3.233 20 0 IGADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716018 720196140 /nfs/dbraw/zinc/19/61/40/720196140.db2.gz OHOSTMHMFOKNRP-KRWDZBQOSA-N 1 0 448.015 3.081 20 0 IGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)Nc3ccccc3)ccn1)CCC2 ZINC001164813956 720224404 /nfs/dbraw/zinc/22/44/04/720224404.db2.gz QCWIHKFGFHYVDG-UHFFFAOYSA-N 1 0 446.555 3.141 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c21 ZINC001164813560 720225645 /nfs/dbraw/zinc/22/56/45/720225645.db2.gz PGFZSNBLOCVDMU-UHFFFAOYSA-N 1 0 442.951 3.099 20 0 IGADRO COCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccccc2)n1 ZINC001164821617 720295240 /nfs/dbraw/zinc/29/52/40/720295240.db2.gz LLRUMOAQCXVPLJ-DHIUTWEWSA-N 1 0 449.599 3.202 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001164818955 720298379 /nfs/dbraw/zinc/29/83/79/720298379.db2.gz BZYBUXVDWXJMTA-ZIAGYGMSSA-N 1 0 448.345 3.240 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(F)c(Cl)n2)CC1 ZINC001164824562 720298954 /nfs/dbraw/zinc/29/89/54/720298954.db2.gz RMJFUZYVZVWXPV-HZPDHXFCSA-N 1 0 430.902 3.331 20 0 IGADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164829712 720316580 /nfs/dbraw/zinc/31/65/80/720316580.db2.gz NBYPGVUBJFQPIB-IAGOWNOFSA-N 1 0 442.938 3.200 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829644 720316858 /nfs/dbraw/zinc/31/68/58/720316858.db2.gz MYJFSCQYYXHTPS-ZWKOTPCHSA-N 1 0 443.979 3.203 20 0 IGADRO Cc1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164830255 720321798 /nfs/dbraw/zinc/32/17/98/720321798.db2.gz PHSGNSZTHMJWNP-IRXDYDNUSA-N 1 0 426.939 3.500 20 0 IGADRO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164831959 720328887 /nfs/dbraw/zinc/32/88/87/720328887.db2.gz SMKVAFNDTZTROU-DHIUTWEWSA-N 1 0 435.572 3.064 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(F)cc3ncnc(Cl)c32)CC1 ZINC001164830222 720333193 /nfs/dbraw/zinc/33/31/93/720333193.db2.gz PESGIVJNCFJADX-ZWKOTPCHSA-N 1 0 431.943 3.334 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001164828982 720335310 /nfs/dbraw/zinc/33/53/10/720335310.db2.gz LCBXBEFVDAVEPA-VQTJNVASSA-N 1 0 443.592 3.340 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccccc3nc2N2CCCC2)CC1 ZINC001164829505 720336086 /nfs/dbraw/zinc/33/60/86/720336086.db2.gz MWICOUSRQGNRQX-PKTZIBPZSA-N 1 0 448.615 3.142 20 0 IGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164822843 720338106 /nfs/dbraw/zinc/33/81/06/720338106.db2.gz FVYIPTAPKHGSJJ-DHIUTWEWSA-N 1 0 435.572 3.064 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001164822331 720344615 /nfs/dbraw/zinc/34/46/15/720344615.db2.gz DHUJPVFVCCMDAR-LEWJYISDSA-N 1 0 441.526 3.333 20 0 IGADRO Cc1nc(C)c(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)s1 ZINC001164830613 720348609 /nfs/dbraw/zinc/34/86/09/720348609.db2.gz WDWPPHPSSADEJM-UXHICEINSA-N 1 0 440.617 3.128 20 0 IGADRO COc1cc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001164829576 720351931 /nfs/dbraw/zinc/35/19/31/720351931.db2.gz SPFOBNAUFNPSBU-FCHUYYIVSA-N 1 0 438.572 3.164 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc(-c3ccncc3)n2)CC1 ZINC001164828641 720352406 /nfs/dbraw/zinc/35/24/06/720352406.db2.gz OWQFNVSTICSGIF-VQTJNVASSA-N 1 0 440.979 3.104 20 0 IGADRO COc1cc2ccnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1F ZINC001164831626 720352536 /nfs/dbraw/zinc/35/25/36/720352536.db2.gz ZFUXWVGYZKZCOG-SFTDATJTSA-N 1 0 426.536 3.294 20 0 IGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727791 720385311 /nfs/dbraw/zinc/38/53/11/720385311.db2.gz RLFPSRBDTOFCOH-UXHICEINSA-N 1 0 434.544 3.226 20 0 IGADRO c1ccc(N2CCN(c3ccc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)nn3)CC2)cc1 ZINC001164729303 720442025 /nfs/dbraw/zinc/44/20/25/720442025.db2.gz GVDHVYHXWRZGIG-RPWUZVMVSA-N 1 0 441.583 3.051 20 0 IGADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1Cl ZINC001164839050 720513075 /nfs/dbraw/zinc/51/30/75/720513075.db2.gz SEXIBUDJBJFKRG-MBOZVWFJSA-N 1 0 431.968 3.486 20 0 IGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835026 720543063 /nfs/dbraw/zinc/54/30/63/720543063.db2.gz GTJGMRKEALXJJU-SVFBPWRDSA-N 1 0 438.576 3.105 20 0 IGADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736714 720577059 /nfs/dbraw/zinc/57/70/59/720577059.db2.gz RMAYYJXQWADCNA-UHFFFAOYSA-N 1 0 433.894 3.078 20 0 IGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844208 720630453 /nfs/dbraw/zinc/63/04/53/720630453.db2.gz ZYRUXIOPPLQQMH-QLFBSQMISA-N 1 0 447.374 3.301 20 0 IGADRO COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(Cl)n1 ZINC001164843775 720647475 /nfs/dbraw/zinc/64/74/75/720647475.db2.gz YEQTVMCMWCRGGD-OWCLPIDISA-N 1 0 440.926 3.258 20 0 IGADRO F[C@@H](Oc1cccc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844948 720742741 /nfs/dbraw/zinc/74/27/41/720742741.db2.gz VPFDXGSUNLXDEI-HXUWFJFHSA-N 1 0 428.899 3.220 20 0 IGADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743402 720760617 /nfs/dbraw/zinc/76/06/17/720760617.db2.gz PVAYLBWCAHZENS-HZPDHXFCSA-N 1 0 442.882 3.193 20 0 IGADRO Clc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747694 720810636 /nfs/dbraw/zinc/81/06/36/720810636.db2.gz PCPKBCLHNCVMMF-IJEWVQPXSA-N 1 0 447.374 3.236 20 0 IGADRO Clc1ncnc2scc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164741733 720822932 /nfs/dbraw/zinc/82/29/32/720822932.db2.gz OCJIHNAEMHBMMB-ARFHVFGLSA-N 1 0 429.981 3.316 20 0 IGADRO CSc1nc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750226 720832825 /nfs/dbraw/zinc/83/28/25/720832825.db2.gz WSDUWUOFCFJQOY-WAOWUJCRSA-N 1 0 435.601 3.323 20 0 IGADRO c1ncn(C[C@H]2C[C@H]3CN(c4cnc(OCc5ccccc5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741267 720841283 /nfs/dbraw/zinc/84/12/83/720841283.db2.gz DWERNKSWSQKXSD-YTFSRNRJSA-N 1 0 445.571 3.027 20 0 IGADRO Cc1c[nH]c2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164740010 720844464 /nfs/dbraw/zinc/84/44/64/720844464.db2.gz BMWQZTRJGFOWKP-FGTMMUONSA-N 1 0 425.968 3.496 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C2)n1)CCC3 ZINC001164745773 720846218 /nfs/dbraw/zinc/84/62/18/720846218.db2.gz NHLXHSHYPCPQSO-WSTZPKSXSA-N 1 0 449.628 3.459 20 0 IGADRO Fc1ccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)cc1 ZINC001164745927 720850481 /nfs/dbraw/zinc/85/04/81/720850481.db2.gz OEGRYXYCTUGYGG-XKCSPQBFSA-N 1 0 433.535 3.254 20 0 IGADRO c1ncn(C[C@H]2C[C@H]3CN(c4nccnc4Oc4ccccc4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751172 720853867 /nfs/dbraw/zinc/85/38/67/720853867.db2.gz QMWQWBZPBRWIOY-TUNNFDKTSA-N 1 0 431.544 3.240 20 0 IGADRO 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CCOc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OCC ZINC001164866937 721089980 /nfs/dbraw/zinc/08/99/80/721089980.db2.gz VGVTYOGEGONCKS-WOJBJXKFSA-N 1 0 449.555 3.302 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164866192 721097281 /nfs/dbraw/zinc/09/72/81/721097281.db2.gz RUEYRKTWXARRMP-IRXDYDNUSA-N 1 0 425.920 3.167 20 0 IGADRO COc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164865438 721115690 /nfs/dbraw/zinc/11/56/90/721115690.db2.gz LIVCORMLIBVJBK-DENIHFKCSA-N 1 0 433.512 3.152 20 0 IGADRO O=C(OCc1ccccc1)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164871104 721157478 /nfs/dbraw/zinc/15/74/78/721157478.db2.gz DRFMRZANGYRYOT-ZEQRLZLVSA-N 1 0 444.535 3.313 20 0 IGADRO COc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164879109 721161926 /nfs/dbraw/zinc/16/19/26/721161926.db2.gz RTSRKVBWWNGCIH-PZJWPPBQSA-N 1 0 447.539 3.036 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(OCc5cccc(Cl)c5)n4)C[C@@H]3C2)cn1 ZINC001164767895 721237312 /nfs/dbraw/zinc/23/73/12/721237312.db2.gz WYOCBRJFWYPFBV-PMACEKPBSA-N 1 0 438.963 3.401 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@H]3C2)nc1 ZINC001164763933 721257570 /nfs/dbraw/zinc/25/75/70/721257570.db2.gz OCNXPAXMQRKZLP-YPIGPJMWSA-N 1 0 438.572 3.237 20 0 IGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)ccc3-c3ccccc3)CC2)C1 ZINC001164869388 721272242 /nfs/dbraw/zinc/27/22/42/721272242.db2.gz NCNVFGXSICZIIS-UHFFFAOYSA-N 1 0 442.991 3.409 20 0 IGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(F)cc4ccc(Cl)nc43)CC2)C1 ZINC001164869904 721274135 /nfs/dbraw/zinc/27/41/35/721274135.db2.gz TYARSJROHRLWGQ-UHFFFAOYSA-N 1 0 434.943 3.034 20 0 IGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)cc4cccc(F)c43)CC2)C1 ZINC001164873839 721294396 /nfs/dbraw/zinc/29/43/96/721294396.db2.gz BPTRAJOQKMKSDJ-UHFFFAOYSA-N 1 0 434.943 3.034 20 0 IGADRO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1 ZINC001164770744 721300483 /nfs/dbraw/zinc/30/04/83/721300483.db2.gz VDUASWFXXKHICP-UHFFFAOYSA-N 1 0 434.512 3.083 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)nc1 ZINC001164877322 721309555 /nfs/dbraw/zinc/30/95/55/721309555.db2.gz IKGZPEXRIUDCNV-MQSCRBSSSA-N 1 0 440.613 3.385 20 0 IGADRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164776022 721330165 /nfs/dbraw/zinc/33/01/65/721330165.db2.gz BXTXLKBAUCSCSF-DEOSSOPVSA-N 1 0 440.592 3.109 20 0 IGADRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164776025 721330328 /nfs/dbraw/zinc/33/03/28/721330328.db2.gz BXTXLKBAUCSCSF-XMMPIXPASA-N 1 0 440.592 3.109 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1 ZINC001164777996 721332079 /nfs/dbraw/zinc/33/20/79/721332079.db2.gz RYRUELXJRABTTJ-DEOSSOPVSA-N 1 0 440.592 3.191 20 0 IGADRO CCOC(=O)c1cc(C)cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778207 721339204 /nfs/dbraw/zinc/33/92/04/721339204.db2.gz KZCYNPRIHCIDRC-XMMPIXPASA-N 1 0 442.560 3.291 20 0 IGADRO Cc1nc2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2[nH]1 ZINC001164776835 721344251 /nfs/dbraw/zinc/34/42/51/721344251.db2.gz DEKQARRDISBOCR-OAQYLSRUSA-N 1 0 445.955 3.039 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]cc(Cl)c54)C3)O2)CC1 ZINC001164884993 721381669 /nfs/dbraw/zinc/38/16/69/721381669.db2.gz BLDFVBCHNDQGJV-VLIAUNLRSA-N 1 0 439.391 3.030 20 0 IGADRO Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(Cl)nc2c1 ZINC001164888939 721406830 /nfs/dbraw/zinc/40/68/30/721406830.db2.gz PPXXNKVIJOYHOZ-MBSDFSHPSA-N 1 0 429.996 3.357 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(F)c4)C3)O2)CC1 ZINC001164885633 721407186 /nfs/dbraw/zinc/40/71/86/721407186.db2.gz GWGBKCSWFWIPPO-QFBILLFUSA-N 1 0 432.918 3.184 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164885136 721409396 /nfs/dbraw/zinc/40/93/96/721409396.db2.gz FWUPUDRSKKNCDY-BEFAXECRSA-N 1 0 432.918 3.184 20 0 IGADRO COc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c21 ZINC001164891936 721417076 /nfs/dbraw/zinc/41/70/76/721417076.db2.gz WTHUHPRRRFSOQN-GAJHUEQPSA-N 1 0 445.995 3.057 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O4)n1)CCC3 ZINC001164895803 721433540 /nfs/dbraw/zinc/43/35/40/721433540.db2.gz PQUGDGGQSABMLZ-UUOWRZLLSA-N 1 0 441.645 3.254 20 0 IGADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886569 721447642 /nfs/dbraw/zinc/44/76/42/721447642.db2.gz HHHVJGYZQMRJSG-RDGATRHJSA-N 1 0 439.579 3.357 20 0 IGADRO CSc1ccc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164886523 721447792 /nfs/dbraw/zinc/44/77/92/721447792.db2.gz GYJSWKWUEBLNJP-FDDCHVKYSA-N 1 0 427.618 3.117 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164783623 721453334 /nfs/dbraw/zinc/45/33/34/721453334.db2.gz CLMCZHKDWSSFTC-SFHVURJKSA-N 1 0 445.995 3.412 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164783541 721454882 /nfs/dbraw/zinc/45/48/82/721454882.db2.gz CGPXHBNRELYOCF-HXUWFJFHSA-N 1 0 440.588 3.372 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164784732 721457836 /nfs/dbraw/zinc/45/78/36/721457836.db2.gz JYCIHJOEMVTSCG-FQEVSTJZSA-N 1 0 426.561 3.471 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C)nc(Cl)nc1OC)CC2 ZINC001164784484 721460005 /nfs/dbraw/zinc/46/00/05/721460005.db2.gz IISSZCQWQPLFIL-SFHVURJKSA-N 1 0 439.000 3.181 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3nc(C)n(C)c3n1)CC2 ZINC001164784003 721460035 /nfs/dbraw/zinc/46/00/35/721460035.db2.gz GQACWNMPPOOLOT-FQEVSTJZSA-N 1 0 427.593 3.011 20 0 IGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(SCc4ccccc4)ccn2)CC3)CC1 ZINC001164795322 721519928 /nfs/dbraw/zinc/51/99/28/721519928.db2.gz MLOXQUPOHDIORK-UHFFFAOYSA-N 1 0 434.613 3.338 20 0 IGADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1OCC ZINC001164911281 721532158 /nfs/dbraw/zinc/53/21/58/721532158.db2.gz VYHRSJYHRKNWLA-MJGOQNOKSA-N 1 0 429.492 3.138 20 0 IGADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908656 721547701 /nfs/dbraw/zinc/54/77/01/721547701.db2.gz QBJPSSVRAACBSV-FZUCFXCGSA-N 1 0 436.487 3.230 20 0 IGADRO CCOC(=O)c1cc2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164803062 721547732 /nfs/dbraw/zinc/54/77/32/721547732.db2.gz HQFDKIOYRDHLNY-ONTIZHBOSA-N 1 0 435.528 3.003 20 0 IGADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908661 721547805 /nfs/dbraw/zinc/54/78/05/721547805.db2.gz QBJPSSVRAACBSV-LJQWKTEUSA-N 1 0 436.487 3.230 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902674 721549552 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3.100 20 0 IGADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]12 ZINC001164944649 721967035 /nfs/dbraw/zinc/96/70/35/721967035.db2.gz IUZYKNHTVIVVFN-OZXSUGGESA-N 1 0 434.584 3.325 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164950325 722001655 /nfs/dbraw/zinc/00/16/55/722001655.db2.gz HQVHTVQJTWCNMI-RYTRXMBJSA-N 1 0 441.601 3.251 20 0 IGADRO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164954357 722008645 /nfs/dbraw/zinc/00/86/45/722008645.db2.gz LTDIALUJQJWGOP-GJZUVCINSA-N 1 0 449.599 3.039 20 0 IGADRO Clc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)SCC2 ZINC001164964130 722054801 /nfs/dbraw/zinc/05/48/01/722054801.db2.gz RTDQXYLNCPTQAJ-UHFFFAOYSA-N 1 0 431.993 3.292 20 0 IGADRO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963039 722056464 /nfs/dbraw/zinc/05/64/64/722056464.db2.gz GOHPXEPSIRFKLE-UHFFFAOYSA-N 1 0 437.588 3.124 20 0 IGADRO Nc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cnc1Cl ZINC001164959978 722059250 /nfs/dbraw/zinc/05/92/50/722059250.db2.gz BFQSZOJPYBKILU-UHFFFAOYSA-N 1 0 437.922 3.376 20 0 IGADRO Cc1cncc(COCc2cnc3n2CCN(c2cccc(N4CC[NH+](C)CC4)n2)[C@@H]3C)c1 ZINC001164962830 722063137 /nfs/dbraw/zinc/06/31/37/722063137.db2.gz AHAHEDOWWSDYBN-HXUWFJFHSA-N 1 0 447.587 3.031 20 0 IGADRO O=C1[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969992 722082640 /nfs/dbraw/zinc/08/26/40/722082640.db2.gz STEWAUXLUJKJBS-GOTSBHOMSA-N 1 0 438.547 3.070 20 0 IGADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982844 722099522 /nfs/dbraw/zinc/09/95/22/722099522.db2.gz PJVARSORUXQIKZ-HKUYNNGSSA-N 1 0 430.936 3.034 20 0 IGADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986408 722101344 /nfs/dbraw/zinc/10/13/44/722101344.db2.gz YXVROGVEOCTUSO-ZBFHGGJFSA-N 1 0 444.313 3.451 20 0 IGADRO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983879 722106954 /nfs/dbraw/zinc/10/69/54/722106954.db2.gz QVPICWBEIXZBQV-GDBMZVCRSA-N 1 0 444.313 3.451 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccnc4C4SCCCS4)CC[C@@H]3C2)c1 ZINC001164979771 722109111 /nfs/dbraw/zinc/10/91/11/722109111.db2.gz PVJBUINXICLJEC-RTBURBONSA-N 1 0 443.642 3.468 20 0 IGADRO COC(=O)c1ccc2c(ccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981128 722111001 /nfs/dbraw/zinc/11/10/01/722111001.db2.gz SXGURVZVSKBJSJ-GMAHTHKFSA-N 1 0 432.524 3.144 20 0 IGADRO COC(=O)c1ccc2c(ccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981130 722111268 /nfs/dbraw/zinc/11/12/68/722111268.db2.gz SXGURVZVSKBJSJ-JTHBVZDNSA-N 1 0 432.524 3.144 20 0 IGADRO COc1cc2nc(C)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164982473 722119184 /nfs/dbraw/zinc/11/91/84/722119184.db2.gz WQADPYMMFBUGRH-CYFREDJKSA-N 1 0 449.555 3.078 20 0 IGADRO c1ccc(COc2cnnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982666 722125709 /nfs/dbraw/zinc/12/57/09/722125709.db2.gz XREBYSKMEQQDAP-ISKFKSNPSA-N 1 0 431.540 3.178 20 0 IGADRO FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983077 722128222 /nfs/dbraw/zinc/12/82/22/722128222.db2.gz YAQCVSMLGBUYHE-MSOLQXFVSA-N 1 0 438.906 3.325 20 0 IGADRO c1ccc(COc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cn2)cc1 ZINC001164984930 722133304 /nfs/dbraw/zinc/13/33/04/722133304.db2.gz YLFWGWCCMKDCJO-PKTZIBPZSA-N 1 0 431.540 3.178 20 0 IGADRO c1ccc2c(c1)CCc1cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc1-2 ZINC001164982282 722133943 /nfs/dbraw/zinc/13/39/43/722133943.db2.gz RNVYZQOSMSFYAI-ISKFKSNPSA-N 1 0 427.552 3.365 20 0 IGADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164979649 722136659 /nfs/dbraw/zinc/13/66/59/722136659.db2.gz LQDMBZWZIOPKIR-VQIMIIECSA-N 1 0 426.952 3.296 20 0 IGADRO COc1cccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983314 722141622 /nfs/dbraw/zinc/14/16/22/722141622.db2.gz TYLBEAXEHZUASK-ZJSXRUAMSA-N 1 0 431.540 3.275 20 0 IGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@@H]3C2)c1 ZINC001164973928 722151645 /nfs/dbraw/zinc/15/16/45/722151645.db2.gz NNMXDPSPYZTHAQ-RTWAWAEBSA-N 1 0 432.528 3.131 20 0 IGADRO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164971060 722157891 /nfs/dbraw/zinc/15/78/91/722157891.db2.gz ACBHSUXZBADJME-UWJYYQICSA-N 1 0 432.503 3.373 20 0 IGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](OCCOC)[C@H]2Cc2cnn(C)c2)nc1 ZINC001164998398 722224972 /nfs/dbraw/zinc/22/49/72/722224972.db2.gz BHBXFRLUIGMKFM-ZLNRFVROSA-N 1 0 427.593 3.215 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccnc(CSc3ccccc3)n1)CCC2 ZINC001165004935 722257862 /nfs/dbraw/zinc/25/78/62/722257862.db2.gz XYRFLQGJIWVLTG-UHFFFAOYSA-N 1 0 438.601 3.454 20 0 IGADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1Cl ZINC001164387151 718813953 /nfs/dbraw/zinc/81/39/53/718813953.db2.gz DIWXQKUSQICAFM-CYBMUJFWSA-N 1 0 442.816 3.362 20 0 IGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164616588 719010202 /nfs/dbraw/zinc/01/02/02/719010202.db2.gz LEAXBKXHJQAMTO-SGTLLEGYSA-N 1 0 446.951 3.113 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164617040 719014691 /nfs/dbraw/zinc/01/46/91/719014691.db2.gz LSFKZOSEOXOWJK-QCZZGDTMSA-N 1 0 447.269 3.091 20 0 IGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC001164614740 719017624 /nfs/dbraw/zinc/01/76/24/719017624.db2.gz GHNJHTRYPJAGAQ-OKZBNKHCSA-N 1 0 443.617 3.024 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)c23)C1 ZINC001164667891 719443392 /nfs/dbraw/zinc/44/33/92/719443392.db2.gz IEABGVWDSJKXAJ-NEWSRXKRSA-N 1 0 441.645 3.321 20 0 IGADRO O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164679229 719537139 /nfs/dbraw/zinc/53/71/39/719537139.db2.gz VZRPZQMEOQLXMD-VJTSUQJLSA-N 1 0 446.595 3.246 20 0 IGADRO CC(C)N(C)Cc1nn(-c2c(Cl)nnc(Cl)c2N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164680948 719654362 /nfs/dbraw/zinc/65/43/62/719654362.db2.gz JOASHKRRVBIVEI-UHFFFAOYSA-N 1 0 438.407 3.445 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(NC4CC4)n3)CC2)c2ccccc21 ZINC001164681373 719655188 /nfs/dbraw/zinc/65/51/88/719655188.db2.gz MVOMGUOOIMKSMO-IBGZPJMESA-N 1 0 448.615 3.144 20 0 IGADRO Cc1cc2c(ncnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164685232 719663530 /nfs/dbraw/zinc/66/35/30/719663530.db2.gz YPQBFAPGDMISIX-IBGZPJMESA-N 1 0 446.599 3.360 20 0 IGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(C4CC4)cn3)CC2)c2ccccc21 ZINC001164680842 719669500 /nfs/dbraw/zinc/66/95/00/719669500.db2.gz HZHGNVJAXVZMFX-FQEVSTJZSA-N 1 0 433.600 3.447 20 0 IGADRO Cc1cc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2[nH]1 ZINC001164682769 719672560 /nfs/dbraw/zinc/67/25/60/719672560.db2.gz POPVWQLWNAQAPE-IBGZPJMESA-N 1 0 446.599 3.360 20 0 IGADRO CCc1nc(C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683560 719677555 /nfs/dbraw/zinc/67/75/55/719677555.db2.gz SFEPBBYNXGELOO-HXUWFJFHSA-N 1 0 435.616 3.441 20 0 IGADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164689852 719739404 /nfs/dbraw/zinc/73/94/04/719739404.db2.gz MANYPULNPBTKQX-UHFFFAOYSA-N 1 0 444.963 3.246 20 0 IGADRO CN1CCc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2C1 ZINC001164706303 719907735 /nfs/dbraw/zinc/90/77/35/719907735.db2.gz HJXSCUNARBFDPV-UHFFFAOYSA-N 1 0 434.009 3.051 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164805886 720078097 /nfs/dbraw/zinc/07/80/97/720078097.db2.gz AIZFDISIJIQZAZ-CPJSRVTESA-N 1 0 426.605 3.329 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001164808455 720079809 /nfs/dbraw/zinc/07/98/09/720079809.db2.gz HKSJWVIZDICBAU-GJZUVCINSA-N 1 0 434.584 3.196 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1C(=O)OC)C2 ZINC001164810076 720102712 /nfs/dbraw/zinc/10/27/12/720102712.db2.gz JPHKCOHQMKMWAC-QRWLVFNGSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164814991 720109647 /nfs/dbraw/zinc/10/96/47/720109647.db2.gz VCAYXZNGYZXRJO-QRWLVFNGSA-N 1 0 443.922 3.251 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CC2 ZINC001164718106 720120278 /nfs/dbraw/zinc/12/02/78/720120278.db2.gz RRVPFJHAZSKTBY-QGZVFWFLSA-N 1 0 441.963 3.132 20 0 IGADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncc1C ZINC001164717380 720121331 /nfs/dbraw/zinc/12/13/31/720121331.db2.gz OCSPDZXCVKWQPB-NRFANRHFSA-N 1 0 438.572 3.469 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(N3CCCCC3)n1)CC2 ZINC001164714565 720129963 /nfs/dbraw/zinc/12/99/63/720129963.db2.gz XHSOGFNGEDEDAJ-JOCHJYFZSA-N 1 0 436.604 3.369 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1-c1nc(C)no1)CC2 ZINC001164714026 720142383 /nfs/dbraw/zinc/14/23/83/720142383.db2.gz VLIIOVPANSINKP-HXUWFJFHSA-N 1 0 434.544 3.343 20 0 IGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164711900 720158058 /nfs/dbraw/zinc/15/80/58/720158058.db2.gz DJGIXCNKAMQLAE-YLJYHZDGSA-N 1 0 435.931 3.160 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)N1CCC(C)CC1)C2 ZINC001164820268 720167603 /nfs/dbraw/zinc/16/76/03/720167603.db2.gz ZWBPIVUNYPJRPD-PXDATVDWSA-N 1 0 426.605 3.138 20 0 IGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164814429 720171844 /nfs/dbraw/zinc/17/18/44/720171844.db2.gz GLEMDDXYFKSMGN-CJFMBICVSA-N 1 0 436.556 3.100 20 0 IGADRO Cn1nnc2c1CCN(c1cc(Cl)nc3sccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716548 720175895 /nfs/dbraw/zinc/17/58/95/720175895.db2.gz HBQSKZGINBGSBY-KRWDZBQOSA-N 1 0 432.981 3.294 20 0 IGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)C2 ZINC001164818395 720189071 /nfs/dbraw/zinc/18/90/71/720189071.db2.gz SLYXDXDXLZWPRP-OFVILXPXSA-N 1 0 435.572 3.222 20 0 IGADRO CCCCOc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164717620 720193662 /nfs/dbraw/zinc/19/36/62/720193662.db2.gz VIIHNIYGQXNHIW-FQEVSTJZSA-N 1 0 448.999 3.259 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Oc2cccnc2Cl)CC1 ZINC001164825222 720305598 /nfs/dbraw/zinc/30/55/98/720305598.db2.gz SXFGFXIROCCSDB-CVEARBPZSA-N 1 0 428.911 3.071 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Oc2ccc(Cl)nc2)CC1 ZINC001164828195 720307808 /nfs/dbraw/zinc/30/78/08/720307808.db2.gz YXSSGYGGMAUVNE-DLBZAZTESA-N 1 0 428.911 3.071 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](COCC(=O)N(C)C)CC[C@@H]32)nc1 ZINC001164727240 720324401 /nfs/dbraw/zinc/32/44/01/720324401.db2.gz RVYGVSBIMASUNU-BJESRGMDSA-N 1 0 444.620 3.250 20 0 IGADRO CCCN(CCC)c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164833380 720328678 /nfs/dbraw/zinc/32/86/78/720328678.db2.gz WKKRDPFHKXSXAR-NHCUHLMSSA-N 1 0 428.625 3.015 20 0 IGADRO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824761 720329421 /nfs/dbraw/zinc/32/94/21/720329421.db2.gz DFQJYLSOFNUYAB-LEWJYISDSA-N 1 0 428.625 3.015 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c(Cl)nccc32)CC1 ZINC001164833347 720336055 /nfs/dbraw/zinc/33/60/55/720336055.db2.gz VZTNQQNPZOQRGV-JKSUJKDBSA-N 1 0 449.386 3.243 20 0 IGADRO Cc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CCC(=O)N4CC2CC[NH+](C)CC2)n1)CCC3 ZINC001164830245 720336960 /nfs/dbraw/zinc/33/69/60/720336960.db2.gz VPSMJGCGNQKMJA-OALUTQOASA-N 1 0 439.629 3.400 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3sc4c(c32)CCC4)CC1 ZINC001164831112 720337036 /nfs/dbraw/zinc/33/70/36/720337036.db2.gz XPOCLKZKGBTHIX-MSOLQXFVSA-N 1 0 425.602 3.092 20 0 IGADRO COc1ccc(-c2cc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncn2)cc1 ZINC001164828395 720342329 /nfs/dbraw/zinc/34/23/29/720342329.db2.gz OPOQOXPURNFMNZ-GOTSBHOMSA-N 1 0 435.572 3.064 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(Oc3ccc(F)cc3)n2)CC1 ZINC001164829753 720343803 /nfs/dbraw/zinc/34/38/03/720343803.db2.gz UHXHSEWNUQPBNK-NHCUHLMSSA-N 1 0 439.535 3.320 20 0 IGADRO CCOc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164827376 720345268 /nfs/dbraw/zinc/34/52/68/720345268.db2.gz LFFOKWXASXFBNR-ZEQRLZLVSA-N 1 0 449.599 3.454 20 0 IGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(F)ccc3c(Cl)ncnc32)CC1 ZINC001164822227 720354482 /nfs/dbraw/zinc/35/44/82/720354482.db2.gz COLHDJMSGGUXDU-MSOLQXFVSA-N 1 0 431.943 3.334 20 0 IGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727796 720385267 /nfs/dbraw/zinc/38/52/67/720385267.db2.gz RLFPSRBDTOFCOH-WOJBJXKFSA-N 1 0 434.544 3.226 20 0 IGADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164827068 720417749 /nfs/dbraw/zinc/41/77/49/720417749.db2.gz QSQFJHKNAFEMSX-SMIHKQSGSA-N 1 0 448.611 3.253 20 0 IGADRO COc1cc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2cc1OC ZINC001164841434 720537401 /nfs/dbraw/zinc/53/74/01/720537401.db2.gz VUBRADZCXYRKDM-BBTUJRGHSA-N 1 0 436.560 3.221 20 0 IGADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164736924 720585721 /nfs/dbraw/zinc/58/57/21/720585721.db2.gz VXUBTLGMCIYKCE-UHFFFAOYSA-N 1 0 446.555 3.160 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838769 720588656 /nfs/dbraw/zinc/58/86/56/720588656.db2.gz LPYXLLGAYVADFS-YQQAZPJKSA-N 1 0 440.926 3.258 20 0 IGADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164840234 720638433 /nfs/dbraw/zinc/63/84/33/720638433.db2.gz PFOKWATWBPGEJR-FUHIMQAGSA-N 1 0 431.968 3.404 20 0 IGADRO c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164837914 720736449 /nfs/dbraw/zinc/73/64/49/720736449.db2.gz OTSCEVPDIKUJND-UHFFFAOYSA-N 1 0 443.599 3.284 20 0 IGADRO FC(F)(c1ccnc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843487 720741326 /nfs/dbraw/zinc/74/13/26/720741326.db2.gz LESGJJDEVAKMAQ-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO F[C@H](Oc1cccc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844943 720742473 /nfs/dbraw/zinc/74/24/73/720742473.db2.gz VPFDXGSUNLXDEI-FQEVSTJZSA-N 1 0 428.899 3.220 20 0 IGADRO Clc1cc(OCc2ccccc2)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745924 720744826 /nfs/dbraw/zinc/74/48/26/720744826.db2.gz WUXBJTIDIJOOIU-UYAOXDASSA-N 1 0 437.931 3.446 20 0 IGADRO c1cc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cs1 ZINC001164745384 720766558 /nfs/dbraw/zinc/76/65/58/720766558.db2.gz VNUDMFMOJPSLMW-MSOLQXFVSA-N 1 0 430.537 3.490 20 0 IGADRO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737523 720781187 /nfs/dbraw/zinc/78/11/87/720781187.db2.gz CDLADTVAJNBBFO-HOTGVXAUSA-N 1 0 426.883 3.068 20 0 IGADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164742291 720802722 /nfs/dbraw/zinc/80/27/22/720802722.db2.gz CTKNNFCPVXSFTI-FUHWJXTLSA-N 1 0 438.919 3.363 20 0 IGADRO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164742295 720802944 /nfs/dbraw/zinc/80/29/44/720802944.db2.gz CTKNNFCPVXSFTI-WMZOPIPTSA-N 1 0 438.919 3.363 20 0 IGADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2sccc21 ZINC001164737712 720818610 /nfs/dbraw/zinc/81/86/10/720818610.db2.gz CFHDUENENYXPNN-YQQAZPJKSA-N 1 0 429.981 3.316 20 0 IGADRO COc1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1OC ZINC001164751121 720835204 /nfs/dbraw/zinc/83/52/04/720835204.db2.gz YNKDVOKXZQXUPQ-TUNNFDKTSA-N 1 0 448.571 3.223 20 0 IGADRO Fc1cccc(Oc2cncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164743693 720839625 /nfs/dbraw/zinc/83/96/25/720839625.db2.gz JUCHSEASFJEGSJ-RCZSKKKRSA-N 1 0 449.534 3.379 20 0 IGADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cnc(OCc5ccccc5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741263 720841244 /nfs/dbraw/zinc/84/12/44/720841244.db2.gz DWERNKSWSQKXSD-XPWALMASSA-N 1 0 445.571 3.027 20 0 IGADRO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741739 720842501 /nfs/dbraw/zinc/84/25/01/720842501.db2.gz FODSEMPPCVREES-WSTZPKSXSA-N 1 0 434.592 3.226 20 0 IGADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]2C1 ZINC001164855927 720842773 /nfs/dbraw/zinc/84/27/73/720842773.db2.gz VONYTTZUJYEEGN-CZUORRHYSA-N 1 0 444.885 3.141 20 0 IGADRO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747887 720850334 /nfs/dbraw/zinc/85/03/34/720850334.db2.gz RYDMKRMXJQYVAM-CEXWTWQISA-N 1 0 427.984 3.287 20 0 IGADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccnc(Cc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753105 720851821 /nfs/dbraw/zinc/85/18/21/720851821.db2.gz WUCOBMGAVCESSG-RJGXRXQPSA-N 1 0 429.572 3.038 20 0 IGADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164752684 720852719 /nfs/dbraw/zinc/85/27/19/720852719.db2.gz UGIGPAWMQOUFFJ-QNWVGRARSA-N 1 0 444.587 3.126 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164745538 720852813 /nfs/dbraw/zinc/85/28/13/720852813.db2.gz DXDOJETWNPHVQX-XPWALMASSA-N 1 0 444.587 3.126 20 0 IGADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nccnc4Oc4ccccc4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751166 720853933 /nfs/dbraw/zinc/85/39/33/720853933.db2.gz QMWQWBZPBRWIOY-JAXLGGSGSA-N 1 0 431.544 3.240 20 0 IGADRO COc1cc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c(OC)c1 ZINC001164752632 720856725 /nfs/dbraw/zinc/85/67/25/720856725.db2.gz TZKMJDSAWQBDKC-DNVFCKCGSA-N 1 0 448.571 3.223 20 0 IGADRO CSc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164748094 720856769 /nfs/dbraw/zinc/85/67/69/720856769.db2.gz JTFFDIKNKXDPRT-JBYIUTFZSA-N 1 0 435.601 3.323 20 0 IGADRO Fc1ccc(-c2cncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164750286 720857516 /nfs/dbraw/zinc/85/75/16/720857516.db2.gz PHFLSYJLDODYAB-UNWVZKJWSA-N 1 0 433.535 3.254 20 0 IGADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746150 720860318 /nfs/dbraw/zinc/86/03/18/720860318.db2.gz GCODIIGMIWAUPX-GPMSIDNRSA-N 1 0 441.942 3.393 20 0 IGADRO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746153 720860418 /nfs/dbraw/zinc/86/04/18/720860418.db2.gz GCODIIGMIWAUPX-JTDSTZFVSA-N 1 0 441.942 3.393 20 0 IGADRO CSc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750542 720876468 /nfs/dbraw/zinc/87/64/68/720876468.db2.gz JGWHZOLSGBVHAB-REWPJTCUSA-N 1 0 425.602 3.349 20 0 IGADRO COc1cnnc(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757122 720888296 /nfs/dbraw/zinc/88/82/96/720888296.db2.gz SQDGKEGGOGBPQX-XXBNENTESA-N 1 0 443.979 3.289 20 0 IGADRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(OC)c3)CC[C@@H]2C1 ZINC001164862159 720889644 /nfs/dbraw/zinc/88/96/44/720889644.db2.gz QWPMXOHCXMFUOI-UZLBHIALSA-N 1 0 448.951 3.104 20 0 IGADRO Nc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164758491 720891300 /nfs/dbraw/zinc/89/13/00/720891300.db2.gz YOXBTPZHJRUZLC-AUSIDOKSSA-N 1 0 427.980 3.467 20 0 IGADRO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(OCC4CC4)ncn2)C3)c1 ZINC001164755714 720895325 /nfs/dbraw/zinc/89/53/25/720895325.db2.gz NBVWHMPNUFYNCC-ZEQKJWHPSA-N 1 0 449.599 3.416 20 0 IGADRO CSc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164747251 720910840 /nfs/dbraw/zinc/91/08/40/720910840.db2.gz CJAAAACJEXWTPI-OFNKIYASSA-N 1 0 425.602 3.349 20 0 IGADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)C1=O ZINC001164863367 720993852 /nfs/dbraw/zinc/99/38/52/720993852.db2.gz UTGBPBWQMLGWPV-AWEZNQCLSA-N 1 0 431.972 3.112 20 0 IGADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1C ZINC001164861949 720996226 /nfs/dbraw/zinc/99/62/26/720996226.db2.gz ROTLKYABEQYYIN-ZDUSSCGKSA-N 1 0 445.955 3.026 20 0 IGADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H](OCc5cccnc5)[C@@H]5COC[C@H]54)ccc3C2)cc1 ZINC001164755540 721004280 /nfs/dbraw/zinc/00/42/80/721004280.db2.gz AFKWJOBLEFHKKE-ARMFNRFLSA-N 1 0 442.563 3.455 20 0 IGADRO CCOC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1C(=O)OCC ZINC001164861426 721022107 /nfs/dbraw/zinc/02/21/07/721022107.db2.gz OLNKNMCXFWJHPN-MRXNPFEDSA-N 1 0 443.548 3.053 20 0 IGADRO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760647 721044820 /nfs/dbraw/zinc/04/48/20/721044820.db2.gz ZJIMHDZTGSGNQG-UHFFFAOYSA-N 1 0 428.602 3.181 20 0 IGADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccnc(N5CCN(C)CC5)n4)CC3)CC2)cc1 ZINC001164758635 721046660 /nfs/dbraw/zinc/04/66/60/721046660.db2.gz ABRYWLQIUUIHFS-UHFFFAOYSA-N 1 0 434.632 3.419 20 0 IGADRO CSc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866592 721051946 /nfs/dbraw/zinc/05/19/46/721051946.db2.gz FSYAPHDINUKXQX-HUUCEWRRSA-N 1 0 441.935 3.272 20 0 IGADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866333 721099668 /nfs/dbraw/zinc/09/96/68/721099668.db2.gz SFLQFUXTWBGADR-XZOQPEGZSA-N 1 0 440.551 3.354 20 0 IGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867222 721100857 /nfs/dbraw/zinc/10/08/57/721100857.db2.gz XAZYTGVYQRQDBJ-VQTJNVASSA-N 1 0 443.979 3.092 20 0 IGADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164873612 721134154 /nfs/dbraw/zinc/13/41/54/721134154.db2.gz IYVINUVDWGGSQR-WOJBJXKFSA-N 1 0 425.533 3.303 20 0 IGADRO CCOc1cc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OCC ZINC001164763394 721135087 /nfs/dbraw/zinc/13/50/87/721135087.db2.gz FLKCUZKMUOKLTO-RTBURBONSA-N 1 0 436.560 3.119 20 0 IGADRO Clc1nc2c(Cl)nccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871036 721135827 /nfs/dbraw/zinc/13/58/27/721135827.db2.gz DARPSMGLARGFJO-HUUCEWRRSA-N 1 0 431.327 3.206 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ncc4OCc4ccccc4)C[C@@H]3C2)cn1 ZINC001164765601 721140257 /nfs/dbraw/zinc/14/02/57/721140257.db2.gz JNNUIPNDBFSLOU-PMACEKPBSA-N 1 0 438.963 3.401 20 0 IGADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)o2)cc1 ZINC001164871090 721153001 /nfs/dbraw/zinc/15/30/01/721153001.db2.gz DMUKKINMCNSPOD-NHCUHLMSSA-N 1 0 442.523 3.468 20 0 IGADRO Cc1cc(OCc2ccccc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880427 721173074 /nfs/dbraw/zinc/17/30/74/721173074.db2.gz WNJQVRHKFATDBB-GOTSBHOMSA-N 1 0 431.540 3.239 20 0 IGADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164877046 721175279 /nfs/dbraw/zinc/17/52/79/721175279.db2.gz OFWUGEKPKRWVMH-UXHICEINSA-N 1 0 436.947 3.375 20 0 IGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772333 721194643 /nfs/dbraw/zinc/19/46/43/721194643.db2.gz SGOMHSSNJWNIGO-SFTDATJTSA-N 1 0 425.540 3.384 20 0 IGADRO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]2C1 ZINC001164881995 721300038 /nfs/dbraw/zinc/30/00/38/721300038.db2.gz YZDZTERUYOSROA-RXVVDRJESA-N 1 0 426.586 3.106 20 0 IGADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cc[nH]c43)C2)C1 ZINC001164776590 721331117 /nfs/dbraw/zinc/33/11/17/721331117.db2.gz GQSWXJOALYAEDB-OAQYLSRUSA-N 1 0 430.940 3.335 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5cccc(F)c54)C3)O2)CC1 ZINC001164883499 721401303 /nfs/dbraw/zinc/40/13/03/721401303.db2.gz AFBOMUTXSUDCMI-AOMKIAJQSA-N 1 0 433.959 3.188 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(F)cccc54)C3)O2)CC1 ZINC001164883631 721405707 /nfs/dbraw/zinc/40/57/07/721405707.db2.gz BJNPHYNGQNLNSP-ZHRRBRCNSA-N 1 0 433.959 3.188 20 0 IGADRO Cc1cccc2c(Cl)nnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164885253 721408514 /nfs/dbraw/zinc/40/85/14/721408514.db2.gz GJDYFKSSNWKJMO-FDDCHVKYSA-N 1 0 429.996 3.357 20 0 IGADRO Cc1cccc2c(Cl)nnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164885256 721409066 /nfs/dbraw/zinc/40/90/66/721409066.db2.gz GJDYFKSSNWKJMO-JPYJTQIMSA-N 1 0 429.996 3.357 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889985 721410477 /nfs/dbraw/zinc/41/04/77/721410477.db2.gz RYXVHKRHQRQUPG-GAJHUEQPSA-N 1 0 445.995 3.057 20 0 IGADRO COc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889996 721410506 /nfs/dbraw/zinc/41/05/06/721410506.db2.gz RYXVHKRHQRQUPG-SBUREZEXSA-N 1 0 445.995 3.057 20 0 IGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886583 721413722 /nfs/dbraw/zinc/41/37/22/721413722.db2.gz KGOOIEZBTMZDFN-SBUREZEXSA-N 1 0 445.995 3.057 20 0 IGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4OCc4ccccc4)C3)O2)CC1 ZINC001164892211 721432483 /nfs/dbraw/zinc/43/24/83/721432483.db2.gz HSLJVZBZYDWPEM-JYFHCDHNSA-N 1 0 436.600 3.426 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccccc4)C3)O2)CC1 ZINC001164892209 721432648 /nfs/dbraw/zinc/43/26/48/721432648.db2.gz HSLJVZBZYDWPEM-BVAGGSTKSA-N 1 0 436.600 3.426 20 0 IGADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccsc2)n1 ZINC001164899498 721440513 /nfs/dbraw/zinc/44/05/13/721440513.db2.gz YRDRFQLUBSGTQM-REWPJTCUSA-N 1 0 427.618 3.279 20 0 IGADRO COc1cc2ccnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1F ZINC001164886064 721448296 /nfs/dbraw/zinc/44/82/96/721448296.db2.gz GIYUOLGBMJSMLV-CYFREDJKSA-N 1 0 428.552 3.148 20 0 IGADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891370 721448392 /nfs/dbraw/zinc/44/83/92/721448392.db2.gz UNBWTIWUXGYHKB-AUSIDOKSSA-N 1 0 434.028 3.471 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164787896 721452489 /nfs/dbraw/zinc/45/24/89/721452489.db2.gz RFIVISZPMBXRKT-GOSISDBHSA-N 1 0 435.012 3.353 20 0 IGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)C3)O2)CC1 ZINC001164887125 721452527 /nfs/dbraw/zinc/45/25/27/721452527.db2.gz IVOFKRXSAXCCJV-HOYKHHGWSA-N 1 0 438.551 3.016 20 0 IGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164790194 721452800 /nfs/dbraw/zinc/45/28/00/721452800.db2.gz XHRVXFZSVBSZTQ-QGZVFWFLSA-N 1 0 433.984 3.297 20 0 IGADRO CCOC(=O)c1cc(C)cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164785227 721453692 /nfs/dbraw/zinc/45/36/92/721453692.db2.gz HMHHSGDNQTUMGI-OAQYLSRUSA-N 1 0 445.604 3.301 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164790292 721453739 /nfs/dbraw/zinc/45/37/39/721453739.db2.gz XXOTUTSAZVOXRG-KRWDZBQOSA-N 1 0 444.954 3.409 20 0 IGADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c(C)c1 ZINC001164786916 721455121 /nfs/dbraw/zinc/45/51/21/721455121.db2.gz OQTUTNMTVBBXFB-JOCHJYFZSA-N 1 0 445.604 3.301 20 0 IGADRO CCOc1nc(Cl)cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164784359 721455774 /nfs/dbraw/zinc/45/57/74/721455774.db2.gz FBHPCTVHFBTTGV-GOSISDBHSA-N 1 0 439.000 3.263 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(OC)ccc31)CC2 ZINC001164785690 721459952 /nfs/dbraw/zinc/45/99/52/721459952.db2.gz MRZQEKOTIOFTQI-FQEVSTJZSA-N 1 0 440.588 3.372 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ncn(C(C)C)c3n1)CC2 ZINC001164786351 721467547 /nfs/dbraw/zinc/46/75/47/721467547.db2.gz AWTHPHYHJMNKKF-FQEVSTJZSA-N 1 0 442.608 3.141 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164788125 721469086 /nfs/dbraw/zinc/46/90/86/721469086.db2.gz IFNCHLJCVQUQRB-QFIPXVFZSA-N 1 0 437.588 3.273 20 0 IGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)OC(C)C)CC2 ZINC001164789947 721471316 /nfs/dbraw/zinc/47/13/16/721471316.db2.gz PIETXLSBBXGPTD-NRFANRHFSA-N 1 0 445.604 3.381 20 0 IGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@@H]3C2)nc1 ZINC001164789173 721483305 /nfs/dbraw/zinc/48/33/05/721483305.db2.gz BPTUHFSZPQPNCC-GPJHCHHRSA-N 1 0 442.604 3.414 20 0 IGADRO O=C1CCC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)N1Cc1ccncc1 ZINC001164900693 721506347 /nfs/dbraw/zinc/50/63/47/721506347.db2.gz TZYWZPNWZSBBCS-UHFFFAOYSA-N 1 0 435.572 3.113 20 0 IGADRO CC(C)(C)OC(=O)Nc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164902061 721519518 /nfs/dbraw/zinc/51/95/18/721519518.db2.gz YWNQXCXXDKIEMB-FUHWJXTLSA-N 1 0 429.496 3.305 20 0 IGADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911168 721541291 /nfs/dbraw/zinc/54/12/91/721541291.db2.gz VPPRUKSVCWTMPF-CTNGQTDRSA-N 1 0 434.519 3.086 20 0 IGADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902672 721549184 /nfs/dbraw/zinc/54/91/84/721549184.db2.gz AWNSGBYMHMJIRZ-DZGCQCFKSA-N 1 0 428.842 3.165 20 0 IGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164910888 721554013 /nfs/dbraw/zinc/55/40/13/721554013.db2.gz XNFHWVRXTPIAKM-CTNGQTDRSA-N 1 0 448.498 3.396 20 0 IGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164805797 721575422 /nfs/dbraw/zinc/57/54/22/721575422.db2.gz OVZPGUMDTXECIJ-WXFUMESZSA-N 1 0 444.583 3.493 20 0 IGADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2)C1 ZINC001164798193 721576687 /nfs/dbraw/zinc/57/66/87/721576687.db2.gz APMKEBXPCYOECS-CDLYNWKESA-N 1 0 449.599 3.217 20 0 IGADRO Cc1nc(-c2ccncc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164811986 721584998 /nfs/dbraw/zinc/58/49/98/721584998.db2.gz ZGNLKRQFFIHOPY-RJGXRXQPSA-N 1 0 430.556 3.419 20 0 IGADRO CC(C)OC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164903695 721693131 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COC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1OC ZINC001164940473 721921940 /nfs/dbraw/zinc/92/19/40/721921940.db2.gz RGDXCESVDMVYEW-UHFFFAOYSA-N 1 0 425.529 3.057 20 0 IGADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939799 721924963 /nfs/dbraw/zinc/92/49/63/721924963.db2.gz NIFYZMCZJVHNNW-UHFFFAOYSA-N 1 0 444.963 3.487 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)CC3)C2)cc1 ZINC001164939622 721931620 /nfs/dbraw/zinc/93/16/20/721931620.db2.gz NDXMGIIWYBODRC-UHFFFAOYSA-N 1 0 449.599 3.329 20 0 IGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CN(C)CC5)CC3)C2)cc1 ZINC001164943114 721933386 /nfs/dbraw/zinc/93/33/86/721933386.db2.gz NTUCFNRZRJZNGD-UHFFFAOYSA-N 1 0 442.007 3.298 20 0 IGADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)C1=O ZINC001164955914 722021177 /nfs/dbraw/zinc/02/11/77/722021177.db2.gz SJMYTIPSYHENQV-UHFFFAOYSA-N 1 0 440.979 3.382 20 0 IGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164958974 722050886 /nfs/dbraw/zinc/05/08/86/722050886.db2.gz IJPVMZCTGXMUBC-UHFFFAOYSA-N 1 0 446.889 3.452 20 0 IGADRO Clc1nc2ncsc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964098 722056313 /nfs/dbraw/zinc/05/63/13/722056313.db2.gz RIGGJDWUNXHWHV-UHFFFAOYSA-N 1 0 430.965 3.254 20 0 IGADRO Nc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964297 722056667 /nfs/dbraw/zinc/05/66/67/722056667.db2.gz UMNLNSGFLWQVIE-UHFFFAOYSA-N 1 0 437.922 3.376 20 0 IGADRO Clc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164986267 722100120 /nfs/dbraw/zinc/10/01/20/722100120.db2.gz YQBHIBLIDZPMEH-GDBMZVCRSA-N 1 0 433.343 3.387 20 0 IGADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983997 722101511 /nfs/dbraw/zinc/10/15/11/722101511.db2.gz RMQGEWAMBMGMQP-CABCVRRESA-N 1 0 444.313 3.451 20 0 IGADRO CCOC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164980810 722103004 /nfs/dbraw/zinc/10/30/04/722103004.db2.gz 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CCOC(=O)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc2ccccc21 ZINC001164999579 722253463 /nfs/dbraw/zinc/25/34/63/722253463.db2.gz CRCQUARBQNEMQX-UHFFFAOYSA-N 1 0 437.544 3.097 20 0 IGADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002846 722255561 /nfs/dbraw/zinc/25/55/61/722255561.db2.gz UGYJGVQOGLLCKH-UHFFFAOYSA-N 1 0 431.972 3.351 20 0 IGADRO Cc1nc2sc3c(c2c(N2CCCn4cnc(COCC[NH+](C)C)c4C2)n1)CCC3 ZINC001165004314 722256249 /nfs/dbraw/zinc/25/62/49/722256249.db2.gz QDKAVRCRCIGPET-UHFFFAOYSA-N 1 0 426.590 3.173 20 0 IGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccccn3)nc3ccccc31)CCC2 ZINC001165003409 722256463 /nfs/dbraw/zinc/25/64/63/722256463.db2.gz CCAGUWRTMCWVCD-UHFFFAOYSA-N 1 0 443.555 3.377 20 0 IGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164391150 718824360 /nfs/dbraw/zinc/82/43/60/718824360.db2.gz SWSYXEQBIKXTKG-NEWSRXKRSA-N 1 0 441.645 3.369 20 0 IGADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164404218 718863753 /nfs/dbraw/zinc/86/37/53/718863753.db2.gz ANGDXDZXWLXKQZ-HKUYNNGSSA-N 1 0 441.645 3.371 20 0 IGADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCO[C@@H]5C[NH2+]CC[C@H]5C3)n2)CCC4)CC1 ZINC001164407777 718864167 /nfs/dbraw/zinc/86/41/67/718864167.db2.gz JTEYNBRWVUFAFF-PKOBYXMFSA-N 1 0 441.645 3.227 20 0 IGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[NH2+]CC[C@H]43)c2c1C ZINC001164412556 718876196 /nfs/dbraw/zinc/87/61/96/718876196.db2.gz WQEOGTAKORDIJH-HZPDHXFCSA-N 1 0 429.590 3.103 20 0 IGADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415291 718885251 /nfs/dbraw/zinc/88/52/51/718885251.db2.gz FIPYOUYQLZDDRA-UHFFFAOYSA-N 1 0 431.878 3.032 20 0 IGADRO Fc1ccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164416050 718886078 /nfs/dbraw/zinc/88/60/78/718886078.db2.gz RHEMIFDYPJXSFG-UHFFFAOYSA-N 1 0 449.868 3.171 20 0 IGADRO CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164435059 718982192 /nfs/dbraw/zinc/98/21/92/718982192.db2.gz 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