smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001164642636 719235372 /nfs/dbraw/zinc/23/53/72/719235372.db2.gz XDMZGAAKDQURHY-HZPDHXFCSA-N 0 1 469.567 2.731 20 0 JFADMN Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4CN4CC[C@H](CO)C4)C[C@@H]3O2)n1 ZINC001164648076 719300017 /nfs/dbraw/zinc/30/00/17/719300017.db2.gz FTNYLNMEDAGGLY-GPHNJDIKSA-N 0 1 498.628 2.928 20 0 JFADMN C[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC001164666063 719437561 /nfs/dbraw/zinc/43/75/61/719437561.db2.gz AUXOQAFCXCZDNX-RTBURBONSA-N 0 1 459.959 2.603 20 0 JFADMN CN1CCO[C@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@H]21 ZINC001164667855 719439405 /nfs/dbraw/zinc/43/94/05/719439405.db2.gz HWNVXOOPPLUORQ-RPBOFIJWSA-N 0 1 478.618 2.992 20 0 JFADMN 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CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292092820 1064780895 /nfs/dbraw/zinc/78/08/95/1064780895.db2.gz ZPCGNKHBEYFWLJ-FYYLOGMGSA-N 0 1 499.708 2.569 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001292097511 1064788773 /nfs/dbraw/zinc/78/87/73/1064788773.db2.gz RVVJDVHDAOZEND-VXKWHMMOSA-N 0 1 486.665 2.628 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3)CC2)n1CCc1nc(C)n[nH]1 ZINC001292103873 1064794938 /nfs/dbraw/zinc/79/49/38/1064794938.db2.gz ABSXUWOBPBYJFJ-UHFFFAOYSA-N 0 1 465.606 2.582 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3)CC2)n1CCc1nnc(C)[nH]1 ZINC001292103873 1064794952 /nfs/dbraw/zinc/79/49/52/1064794952.db2.gz ABSXUWOBPBYJFJ-UHFFFAOYSA-N 0 1 465.606 2.582 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001292109746 1064808405 /nfs/dbraw/zinc/80/84/05/1064808405.db2.gz KYESCMUVDSINBC-JTHBVZDNSA-N 0 1 495.672 2.735 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001292115167 1064831833 /nfs/dbraw/zinc/83/18/33/1064831833.db2.gz LEWVOYGWGBNGFJ-XMMPIXPASA-N 0 1 495.672 2.702 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)C)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001292117840 1064846141 /nfs/dbraw/zinc/84/61/41/1064846141.db2.gz ZVJVPCITMJATFP-UHFFFAOYSA-N 0 1 455.607 2.734 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(CC)[C@@H](C)C2)n1CCc1ccc2c(c1)OCCO2 ZINC001292124088 1064864651 /nfs/dbraw/zinc/86/46/51/1064864651.db2.gz KVJFLDLFSXVOBL-SFHVURJKSA-N 0 1 470.618 2.741 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CC[C@H](OC)C(F)(F)F ZINC001292134537 1064894759 /nfs/dbraw/zinc/89/47/59/1064894759.db2.gz SZTJFHFWRZJJHX-SJORKVTESA-N 0 1 460.545 2.838 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001292135408 1064900220 /nfs/dbraw/zinc/90/02/20/1064900220.db2.gz KFLYBUDNVRCMOA-OTWHNJEPSA-N 0 1 464.655 2.700 20 0 JFADMN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnccn1)N1CCc2ccccc2C1 ZINC001292158660 1064939152 /nfs/dbraw/zinc/93/91/52/1064939152.db2.gz DJFFNKRGSVOGIB-QFIPXVFZSA-N 0 1 462.602 2.680 20 0 JFADMN CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001292208925 1064998445 /nfs/dbraw/zinc/99/84/45/1064998445.db2.gz RETZGVDGEFWSIA-UYAOXDASSA-N 0 1 469.565 2.889 20 0 JFADMN CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1)OC ZINC001292210584 1065000722 /nfs/dbraw/zinc/00/07/22/1065000722.db2.gz DZFMXPSJYATMEA-FYYLOGMGSA-N 0 1 450.587 2.929 20 0 JFADMN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1)OC ZINC001292222920 1065009308 /nfs/dbraw/zinc/00/93/08/1065009308.db2.gz GXLZTJNZZAITAH-UXHICEINSA-N 0 1 478.638 2.686 20 0 JFADMN CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292252221 1065034583 /nfs/dbraw/zinc/03/45/83/1065034583.db2.gz OPOXEVRVMJCJOQ-PZJWPPBQSA-N 0 1 461.632 2.663 20 0 JFADMN CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001292263174 1065041961 /nfs/dbraw/zinc/04/19/61/1065041961.db2.gz YSRDFXRTGLCSEN-MOPGFXCFSA-N 0 1 498.694 2.705 20 0 JFADMN CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001292266707 1065046274 /nfs/dbraw/zinc/04/62/74/1065046274.db2.gz GXEYOYGJVKCSDP-KRWDZBQOSA-N 0 1 481.439 2.888 20 0 JFADMN CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001292284940 1065059267 /nfs/dbraw/zinc/05/92/67/1065059267.db2.gz QSYMIIQZHUGFJX-JOCHJYFZSA-N 0 1 462.683 2.718 20 0 JFADMN CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001292292127 1065063759 /nfs/dbraw/zinc/06/37/59/1065063759.db2.gz QUNVKNBYXXVURS-FQEVSTJZSA-N 0 1 454.619 2.662 20 0 JFADMN CN1CCN(c2ncccc2CNC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC001292351703 1065096146 /nfs/dbraw/zinc/09/61/46/1065096146.db2.gz PIOZDUWZMGAHBA-UHFFFAOYSA-N 0 1 456.344 2.780 20 0 JFADMN 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Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001290228565 1061975734 /nfs/dbraw/zinc/97/57/34/1061975734.db2.gz CIXPYDWCCDKJMT-NHCUHLMSSA-N 0 1 499.660 2.667 20 0 JFADMN CN(C)CCCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)[C@@H]1CCS(=O)(=O)C1 ZINC001294414268 1061979054 /nfs/dbraw/zinc/97/90/54/1061979054.db2.gz JHAHGTPZDTUCJC-CQSZACIVSA-N 0 1 459.490 2.941 20 0 JFADMN CN(C)CCCN(C(=O)C(F)(F)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001294413718 1061979274 /nfs/dbraw/zinc/97/92/74/1061979274.db2.gz COKCFKIXRUFNSE-OAHLLOKOSA-N 0 1 453.349 2.508 20 0 JFADMN CN(C)CCCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC001294414700 1061980818 /nfs/dbraw/zinc/98/08/18/1061980818.db2.gz OCTBPSMTSOURFN-QFIPXVFZSA-N 0 1 457.596 2.544 20 0 JFADMN CCCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1N(C)C ZINC001294446010 1061994215 /nfs/dbraw/zinc/99/42/15/1061994215.db2.gz SFCPJMOCFJTFMI-UHFFFAOYSA-N 0 1 462.646 2.998 20 0 JFADMN 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CCN(CCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1)S(C)(=O)=O ZINC001295805318 1063794765 /nfs/dbraw/zinc/79/47/65/1063794765.db2.gz CNICAFZREHQRDC-HXUWFJFHSA-N 0 1 481.066 2.945 20 0 JFADMN CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)CCC(F)(F)F ZINC001295820659 1063826125 /nfs/dbraw/zinc/82/61/25/1063826125.db2.gz GLKBOMUHEODTPB-SJORKVTESA-N 0 1 460.545 2.696 20 0 JFADMN CCN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CC2)C1)CCC(F)(F)F ZINC001295821619 1063828014 /nfs/dbraw/zinc/82/80/14/1063828014.db2.gz RTQJBVOFSBUEKQ-UHFFFAOYSA-N 0 1 481.523 2.817 20 0 JFADMN CCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCOCC2)C1 ZINC001291344509 1063833182 /nfs/dbraw/zinc/83/31/82/1063833182.db2.gz DTSGCTANPUDSOV-IBGZPJMESA-N 0 1 490.599 2.755 20 0 JFADMN CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCOCC2)C1 ZINC001291344510 1063833223 /nfs/dbraw/zinc/83/32/23/1063833223.db2.gz DTSGCTANPUDSOV-LJQANCHMSA-N 0 1 490.599 2.755 20 0 JFADMN CN1CCN(Cc2ccc(C(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001295827230 1063836804 /nfs/dbraw/zinc/83/68/04/1063836804.db2.gz AOQCWFVSQODHAL-XMMPIXPASA-N 0 1 457.018 2.579 20 0 JFADMN CCN1C[C@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@H]1C ZINC001295827693 1063837844 /nfs/dbraw/zinc/83/78/44/1063837844.db2.gz DVUKSBVITBRUGW-MSOLQXFVSA-N 0 1 457.596 2.922 20 0 JFADMN CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291355952 1063862251 /nfs/dbraw/zinc/86/22/51/1063862251.db2.gz JEYQWBGTCFKDTJ-OAQYLSRUSA-N 0 1 467.662 2.746 20 0 JFADMN CCN(CCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846560 1063868982 /nfs/dbraw/zinc/86/89/82/1063868982.db2.gz WKCRQZSCYPGRDI-LJQANCHMSA-N 0 1 499.626 2.953 20 0 JFADMN Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001295852850 1063877969 /nfs/dbraw/zinc/87/79/69/1063877969.db2.gz PZBIQJFXIKFGFK-DJJJIMSYSA-N 0 1 457.930 2.997 20 0 JFADMN CCN(CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001295854613 1063883256 /nfs/dbraw/zinc/88/32/56/1063883256.db2.gz KNSHMBDDKPVRGC-OAQYLSRUSA-N 0 1 463.623 2.896 20 0 JFADMN CCN(CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)CCC(F)(F)F ZINC001295858664 1063889164 /nfs/dbraw/zinc/88/91/64/1063889164.db2.gz BHIVOLBHKXYXIU-NRFANRHFSA-N 0 1 481.523 2.569 20 0 JFADMN CC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001291366342 1063889576 /nfs/dbraw/zinc/88/95/76/1063889576.db2.gz YXGIOYUSDBHCBC-UQBPGWFLSA-N 0 1 473.618 2.672 20 0 JFADMN CC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001291366341 1063889592 /nfs/dbraw/zinc/88/95/92/1063889592.db2.gz YXGIOYUSDBHCBC-DFBJGRDBSA-N 0 1 473.618 2.672 20 0 JFADMN CC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001291366549 1063890489 /nfs/dbraw/zinc/89/04/89/1063890489.db2.gz CELYVJPLZDADDB-SNYIIPAISA-N 0 1 452.607 2.754 20 0 JFADMN CCN(CCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)CCC(F)(F)F ZINC001295860491 1063891313 /nfs/dbraw/zinc/89/13/13/1063891313.db2.gz BOEIUVHPBVKJQN-HXUWFJFHSA-N 0 1 470.565 2.921 20 0 JFADMN CCN(CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1)CCC(F)(F)F ZINC001295860687 1063892557 /nfs/dbraw/zinc/89/25/57/1063892557.db2.gz JLIXMWYVFSBVOO-UHFFFAOYSA-N 0 1 473.569 2.610 20 0 JFADMN CCN(CCn1c(CC2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1)CCC(F)(F)F ZINC001295861689 1063893977 /nfs/dbraw/zinc/89/39/77/1063893977.db2.gz FZMIQUXMEARFRW-UHFFFAOYSA-N 0 1 481.567 2.942 20 0 JFADMN CCN(CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@H]2C1)CCC(F)(F)F ZINC001295862299 1063894659 /nfs/dbraw/zinc/89/46/59/1063894659.db2.gz LVTOHWWTURFOFN-QGZVFWFLSA-N 0 1 458.529 2.926 20 0 JFADMN CCN(CCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001295865125 1063896022 /nfs/dbraw/zinc/89/60/22/1063896022.db2.gz CIDWUFAGZXLXCJ-NRFANRHFSA-N 0 1 479.622 2.884 20 0 JFADMN CCN(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(CC)C1)CCC(F)(F)F ZINC001295867788 1063903409 /nfs/dbraw/zinc/90/34/09/1063903409.db2.gz ZHGJMEBFFKMPAL-FQEVSTJZSA-N 0 1 460.545 2.680 20 0 JFADMN CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 ZINC001291381761 1063921263 /nfs/dbraw/zinc/92/12/63/1063921263.db2.gz NIYLFCIPZZTSSD-AJTFRIOCSA-N 0 1 497.688 2.570 20 0 JFADMN CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC001291381927 1063921407 /nfs/dbraw/zinc/92/14/07/1063921407.db2.gz OXTPLZIXHBRLPV-CJFMBICVSA-N 0 1 456.635 2.844 20 0 JFADMN CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291397457 1063954201 /nfs/dbraw/zinc/95/42/01/1063954201.db2.gz KPYGRCXARNBYRE-VRUMLPLGSA-N 0 1 478.726 2.895 20 0 JFADMN CC[C@H](C)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CCOC)[C@@H](C)C1)OC ZINC001291418129 1063996808 /nfs/dbraw/zinc/99/68/08/1063996808.db2.gz UFIUNJHMPKWEHE-BBTUJRGHSA-N 0 1 483.617 2.812 20 0 JFADMN CCn1cccc(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(C)C)CC2)c1=O ZINC001295950217 1064001178 /nfs/dbraw/zinc/00/11/78/1064001178.db2.gz DSWWPWFUKHZPPC-UHFFFAOYSA-N 0 1 450.587 2.926 20 0 JFADMN CCn1cccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(CCOC)[C@H](C)C2)c1=O ZINC001295950842 1064002583 /nfs/dbraw/zinc/00/25/83/1064002583.db2.gz NOYXHJIRMQCYLS-JOCHJYFZSA-N 0 1 494.640 2.861 20 0 JFADMN CCn1cccc(Cn2c(CCOc3ccccc3)nnc2N2CCN(C(C)C)CC2)c1=O ZINC001295951543 1064003292 /nfs/dbraw/zinc/00/32/92/1064003292.db2.gz UIYLLBZCPJFPBF-UHFFFAOYSA-N 0 1 450.587 2.660 20 0 JFADMN CC[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001291427458 1064010581 /nfs/dbraw/zinc/01/05/81/1064010581.db2.gz KOWSPCWGIDOUQA-ZCNNSNEGSA-N 0 1 491.706 2.635 20 0 JFADMN CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCCN1CCOCC1 ZINC001291434086 1064014334 /nfs/dbraw/zinc/01/43/34/1064014334.db2.gz IQBMHWLWLYQBLL-SFTDATJTSA-N 0 1 456.639 2.799 20 0 JFADMN CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@]1(OC)CCOC1 ZINC001291458726 1064025322 /nfs/dbraw/zinc/02/53/22/1064025322.db2.gz MXCBVBXIZLWYHK-RRZZWSPOSA-N 0 1 459.639 2.850 20 0 JFADMN CC[C@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@]1(OC)CCOC1 ZINC001291458724 1064025352 /nfs/dbraw/zinc/02/53/52/1064025352.db2.gz MXCBVBXIZLWYHK-KLNOSBNDSA-N 0 1 459.639 2.850 20 0 JFADMN CC[C@H](C)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001291488677 1064044422 /nfs/dbraw/zinc/04/44/22/1064044422.db2.gz QUUFVEIXDUPSHJ-ISJBWFOZSA-N 0 1 467.662 2.965 20 0 JFADMN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC001295991187 1064045893 /nfs/dbraw/zinc/04/58/93/1064045893.db2.gz PHTLVZDSVIOONV-GOSISDBHSA-N 0 1 459.344 2.975 20 0 JFADMN CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCN(CC)CCC(F)(F)F ZINC001291494181 1064046951 /nfs/dbraw/zinc/04/69/51/1064046951.db2.gz WIHAKAMUTWLEON-BTYIYWSLSA-N 0 1 487.571 2.880 20 0 JFADMN CC[C@@H](C)c1nnc(N2CCC(CCCN3CCOCC3)CC2)n1C[C@@]1(O)CCSC1 ZINC001291499928 1064051054 /nfs/dbraw/zinc/05/10/54/1064051054.db2.gz OYCCZVXABPVTDL-XXBNENTESA-N 0 1 451.681 2.988 20 0 JFADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1cn(C[C@H]2CCOC2)nn1 ZINC001291565569 1064094129 /nfs/dbraw/zinc/09/41/29/1064094129.db2.gz ANZJSEVAHJMEEQ-GFCCVEGCSA-N 0 1 451.505 2.568 20 0 JFADMN CC[C@@H](C)c1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291571124 1064097741 /nfs/dbraw/zinc/09/77/41/1064097741.db2.gz QCSGZNKSRANBSV-LJQANCHMSA-N 0 1 464.618 2.579 20 0 JFADMN CCN1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296048308 1064107504 /nfs/dbraw/zinc/10/75/04/1064107504.db2.gz CBULFJRNNGPDLE-MOPGFXCFSA-N 0 1 472.659 2.951 20 0 JFADMN CCN1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296051942 1064113007 /nfs/dbraw/zinc/11/30/07/1064113007.db2.gz LMBYFSZSWAZKTB-TZIWHRDSSA-N 0 1 461.632 2.521 20 0 JFADMN CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CCCCN1CCOCC1 ZINC001291583908 1064117514 /nfs/dbraw/zinc/11/75/14/1064117514.db2.gz XASRWSHDMPOZLI-JOCHJYFZSA-N 0 1 468.646 2.795 20 0 JFADMN CCN1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001296057438 1064119535 /nfs/dbraw/zinc/11/95/35/1064119535.db2.gz YFXQOCKEKIQNBI-DFQSSKMNSA-N 0 1 467.680 2.552 20 0 JFADMN CCN1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296072626 1064137151 /nfs/dbraw/zinc/13/71/51/1064137151.db2.gz DNBCTLMFJZSSAY-JTHBVZDNSA-N 0 1 489.686 2.960 20 0 JFADMN CCN1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296073551 1064138933 /nfs/dbraw/zinc/13/89/33/1064138933.db2.gz SBULZVBMZMLKDU-GOSISDBHSA-N 0 1 451.662 2.818 20 0 JFADMN CCN1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296073552 1064138981 /nfs/dbraw/zinc/13/89/81/1064138981.db2.gz SBULZVBMZMLKDU-SFHVURJKSA-N 0 1 451.662 2.818 20 0 JFADMN CCN1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296073647 1064139466 /nfs/dbraw/zinc/13/94/66/1064139466.db2.gz GGTDPGMWUJROHN-OALUTQOASA-N 0 1 479.622 2.884 20 0 JFADMN CCN1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296073645 1064139516 /nfs/dbraw/zinc/13/95/16/1064139516.db2.gz GGTDPGMWUJROHN-MOPGFXCFSA-N 0 1 479.622 2.884 20 0 JFADMN CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001296079406 1064146607 /nfs/dbraw/zinc/14/66/07/1064146607.db2.gz FXFREUPRBWPKSY-IFMALSPDSA-N 0 1 470.618 2.575 20 0 JFADMN CC[C@@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CCN(CC)CCC(F)(F)F ZINC001291609758 1064147439 /nfs/dbraw/zinc/14/74/39/1064147439.db2.gz VHCPEHCJAGKPCZ-MRXNPFEDSA-N 0 1 470.544 2.653 20 0 JFADMN CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001291614185 1064151862 /nfs/dbraw/zinc/15/18/62/1064151862.db2.gz IINSLPAKGOOZIF-XUVXKRRUSA-N 0 1 456.639 2.716 20 0 JFADMN CCN1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 ZINC001296084834 1064152845 /nfs/dbraw/zinc/15/28/45/1064152845.db2.gz AFUQGLKRWFWCTG-PMACEKPBSA-N 0 1 491.658 2.578 20 0 JFADMN CCN1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 ZINC001296087352 1064156237 /nfs/dbraw/zinc/15/62/37/1064156237.db2.gz FNRVLDIDAONKCI-IBGZPJMESA-N 0 1 458.588 2.847 20 0 JFADMN CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296089558 1064160573 /nfs/dbraw/zinc/16/05/73/1064160573.db2.gz PWWLEIRFDSXIKO-IBGZPJMESA-N 0 1 461.632 2.842 20 0 JFADMN CCN1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296089558 1064160585 /nfs/dbraw/zinc/16/05/85/1064160585.db2.gz PWWLEIRFDSXIKO-IBGZPJMESA-N 0 1 461.632 2.842 20 0 JFADMN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nc(C3CCC3)n[nH]1)n2C ZINC001296090775 1064161968 /nfs/dbraw/zinc/16/19/68/1064161968.db2.gz KGJXPARBYFIOBE-UHFFFAOYSA-N 0 1 459.576 2.561 20 0 JFADMN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1n[nH]c(C3CCC3)n1)n2C ZINC001296090775 1064161974 /nfs/dbraw/zinc/16/19/74/1064161974.db2.gz KGJXPARBYFIOBE-UHFFFAOYSA-N 0 1 459.576 2.561 20 0 JFADMN 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CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1)N1CCOCC1 ZINC001291967669 1064582990 /nfs/dbraw/zinc/58/29/90/1064582990.db2.gz QGNLESKUPMDASD-JRFVFWCSSA-N 0 1 490.693 2.662 20 0 JFADMN CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC[C@H]1C)N1CCOCC1 ZINC001291975295 1064589706 /nfs/dbraw/zinc/58/97/06/1064589706.db2.gz RHQCEJXKVJUBCS-IRLDBZIGSA-N 0 1 459.639 2.502 20 0 JFADMN CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1)N1CCOCC1 ZINC001291975809 1064591660 /nfs/dbraw/zinc/59/16/60/1064591660.db2.gz ZQSMPEHYMKYYOY-GMAHTHKFSA-N 0 1 484.645 2.790 20 0 JFADMN CCC(CC)[C@H](Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C)N1CCOCC1 ZINC001291977903 1064593642 /nfs/dbraw/zinc/59/36/42/1064593642.db2.gz KNIXVAKNGWLUKY-WWNPGLIZSA-N 0 1 476.710 2.870 20 0 JFADMN CCNC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001296316065 1064596333 /nfs/dbraw/zinc/59/63/33/1064596333.db2.gz YGVQGLVEPBOWMQ-NHCUHLMSSA-N 0 1 473.597 2.813 20 0 JFADMN CCNC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001296316069 1064596358 /nfs/dbraw/zinc/59/63/58/1064596358.db2.gz YGVQGLVEPBOWMQ-SFTDATJTSA-N 0 1 473.597 2.813 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001292013798 1064642437 /nfs/dbraw/zinc/64/24/37/1064642437.db2.gz MNYDUHJFMWOCID-WMZHIEFXSA-N 0 1 495.672 2.700 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001292020755 1064660947 /nfs/dbraw/zinc/66/09/47/1064660947.db2.gz HGJVXBAFRYBXRP-YOUFYPILSA-N 0 1 464.655 2.700 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCN(C)Cc1ccccc1 ZINC001292024740 1064674037 /nfs/dbraw/zinc/67/40/37/1064674037.db2.gz SZEJFHJXAUUXTK-FNZWTVRRSA-N 0 1 484.645 2.713 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001292078312 1064760737 /nfs/dbraw/zinc/76/07/37/1064760737.db2.gz DOFYGKKQKMNECY-BVSLBCMMSA-N 0 1 476.666 2.559 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001292078315 1064760936 /nfs/dbraw/zinc/76/09/36/1064760936.db2.gz DOFYGKKQKMNECY-NNWRFLSQSA-N 0 1 476.666 2.559 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001292084885 1064766735 /nfs/dbraw/zinc/76/67/35/1064766735.db2.gz JPEDMOKZLCACFJ-DENIHFKCSA-N 0 1 495.672 2.606 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001292091362 1064778319 /nfs/dbraw/zinc/77/83/19/1064778319.db2.gz UPPVDNRYGKNXND-FGZHOGPDSA-N 0 1 487.624 2.743 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292092824 1064780914 /nfs/dbraw/zinc/78/09/14/1064780914.db2.gz ZPCGNKHBEYFWLJ-GGAORHGYSA-N 0 1 499.708 2.569 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001292097503 1064788364 /nfs/dbraw/zinc/78/83/64/1064788364.db2.gz RVVJDVHDAOZEND-FCHUYYIVSA-N 0 1 486.665 2.628 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001292099762 1064790594 /nfs/dbraw/zinc/79/05/94/1064790594.db2.gz FAHFPLIKTYGBJD-MPJJRAAHSA-N 0 1 476.666 2.844 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1Cc1ccc(OC)cc1 ZINC001292105976 1064801668 /nfs/dbraw/zinc/80/16/68/1064801668.db2.gz QNUIEPAIBPKTDH-UHFFFAOYSA-N 0 1 494.644 2.699 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001292115116 1064831191 /nfs/dbraw/zinc/83/11/91/1064831191.db2.gz KKIMVOLWGNMKND-GOSISDBHSA-N 0 1 479.670 2.982 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC(C)(C)C(=O)NC ZINC001292123482 1064861846 /nfs/dbraw/zinc/86/18/46/1064861846.db2.gz FGAAXHLTBIOBQW-LJQANCHMSA-N 0 1 483.661 2.679 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001292125417 1064869836 /nfs/dbraw/zinc/86/98/36/1064869836.db2.gz CSUJVWYJFVLGLL-QHCPKHFHSA-N 0 1 466.630 2.906 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3cccc(C)c3)CC2)n1C[C@@]1(O)CCSC1 ZINC001292125482 1064870505 /nfs/dbraw/zinc/87/05/05/1064870505.db2.gz UXZVSVDCNQJPPN-VWLOTQADSA-N 0 1 486.686 2.695 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001292126793 1064878145 /nfs/dbraw/zinc/87/81/45/1064878145.db2.gz UOWJDPSOILWGLP-UHFFFAOYSA-N 0 1 471.581 2.649 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001292127046 1064879196 /nfs/dbraw/zinc/87/91/96/1064879196.db2.gz UIDJIKZVGGKEDR-FPOVZHCZSA-N 0 1 483.661 2.869 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001292127045 1064879344 /nfs/dbraw/zinc/87/93/44/1064879344.db2.gz UIDJIKZVGGKEDR-CTNGQTDRSA-N 0 1 483.661 2.869 20 0 JFADMN CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292137738 1064904663 /nfs/dbraw/zinc/90/46/63/1064904663.db2.gz WRTDQRVUSJUHBG-IBVKSMDESA-N 0 1 491.725 2.864 20 0 JFADMN CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1)Oc1ccccc1F ZINC001292160614 1064942955 /nfs/dbraw/zinc/94/29/55/1064942955.db2.gz RJCUMTNHSSCDJW-PMACEKPBSA-N 0 1 488.608 2.668 20 0 JFADMN Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC001292200530 1064991491 /nfs/dbraw/zinc/99/14/91/1064991491.db2.gz OZTWDNVPAUSHPI-UHFFFAOYSA-N 0 1 459.549 2.713 20 0 JFADMN CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1)OC ZINC001292222922 1065009768 /nfs/dbraw/zinc/00/97/68/1065009768.db2.gz GXLZTJNZZAITAH-WOJBJXKFSA-N 0 1 478.638 2.686 20 0 JFADMN CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292252222 1065034540 /nfs/dbraw/zinc/03/45/40/1065034540.db2.gz OPOXEVRVMJCJOQ-TZIWHRDSSA-N 0 1 461.632 2.663 20 0 JFADMN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)CC1 ZINC001292261047 1065040520 /nfs/dbraw/zinc/04/05/20/1065040520.db2.gz IIVRMXUWKDAEKX-KRWDZBQOSA-N 0 1 452.577 2.705 20 0 JFADMN COCCOCCc1ncc(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)[nH]1 ZINC001292262340 1065041237 /nfs/dbraw/zinc/04/12/37/1065041237.db2.gz WFUISSDNDZUHGT-LJQANCHMSA-N 0 1 450.580 2.867 20 0 JFADMN CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001292263175 1065041849 /nfs/dbraw/zinc/04/18/49/1065041849.db2.gz YSRDFXRTGLCSEN-OALUTQOASA-N 0 1 498.694 2.705 20 0 JFADMN CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001292284941 1065059153 /nfs/dbraw/zinc/05/91/53/1065059153.db2.gz QSYMIIQZHUGFJX-QFIPXVFZSA-N 0 1 462.683 2.718 20 0 JFADMN CC[C@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001292377475 1065120186 /nfs/dbraw/zinc/12/01/86/1065120186.db2.gz ZTFCCAHXBQKAFR-RPMNLZPZSA-N 0 1 479.666 2.895 20 0 JFADMN CC[C@@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001292377477 1065120236 /nfs/dbraw/zinc/12/02/36/1065120236.db2.gz ZTFCCAHXBQKAFR-YKUDZUIHSA-N 0 1 479.666 2.895 20 0 JFADMN CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001292432384 1065158663 /nfs/dbraw/zinc/15/86/63/1065158663.db2.gz GNQCWVDIGQAAMP-IBGZPJMESA-N 0 1 451.531 2.831 20 0 JFADMN CCc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@]2(N(C)C)CCSC2)cc1 ZINC001292459802 1065186011 /nfs/dbraw/zinc/18/60/11/1065186011.db2.gz DZSFBASJYRYJHD-HTAPYJJXSA-N 0 1 465.689 2.814 20 0 JFADMN CCc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001292513221 1065232823 /nfs/dbraw/zinc/23/28/23/1065232823.db2.gz AMGQVRKYUZVNKJ-WOJBJXKFSA-N 0 1 483.661 2.857 20 0 JFADMN CCc1ccc(-c2nnc(N3CCN(C[C@H]4CN(C(C)C)CCO4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292520801 1065246542 /nfs/dbraw/zinc/24/65/42/1065246542.db2.gz UPWCYVIBHREUNG-RPLLCQBOSA-N 0 1 484.689 2.900 20 0 JFADMN NS(=O)(=O)c1ccc(SCC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC001292554834 1065271842 /nfs/dbraw/zinc/27/18/42/1065271842.db2.gz VAJOKYWJMXVMDL-UHFFFAOYSA-N 0 1 457.581 2.617 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCc1nc(C)n[nH]1 ZINC001292599825 1065320731 /nfs/dbraw/zinc/32/07/31/1065320731.db2.gz YZUGDVUIVKAFRV-UHFFFAOYSA-N 0 1 480.617 2.783 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCc1nnc(C)[nH]1 ZINC001292599825 1065320737 /nfs/dbraw/zinc/32/07/37/1065320737.db2.gz YZUGDVUIVKAFRV-UHFFFAOYSA-N 0 1 480.617 2.783 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCc1nc(C)n[nH]1 ZINC001292606256 1065332046 /nfs/dbraw/zinc/33/20/46/1065332046.db2.gz OGUFGAGLWCJFCQ-HXUWFJFHSA-N 0 1 480.617 2.830 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCc1nnc(C)[nH]1 ZINC001292606256 1065332056 /nfs/dbraw/zinc/33/20/56/1065332056.db2.gz OGUFGAGLWCJFCQ-HXUWFJFHSA-N 0 1 480.617 2.830 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCN(CC)C1 ZINC001292606608 1065332535 /nfs/dbraw/zinc/33/25/35/1065332535.db2.gz SBPYDAJRNHPYOL-FPOVZHCZSA-N 0 1 475.659 2.775 20 0 JFADMN 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XPTJCQYAHYZQDF-NRFANRHFSA-N 0 1 459.660 2.923 20 0 JFADMN CCCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCN2CC)cc1OC ZINC001294373847 1061946620 /nfs/dbraw/zinc/94/66/20/1061946620.db2.gz IOBNUNSQFLNHBP-FQEVSTJZSA-N 0 1 491.658 2.852 20 0 JFADMN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C2CCC(N3CCOCC3)CC2)CC1 ZINC001294395129 1061966644 /nfs/dbraw/zinc/96/66/44/1061966644.db2.gz WTFFPPHVJKFMTG-UHFFFAOYSA-N 0 1 453.624 2.800 20 0 JFADMN C[C@@H](CNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)Oc1ccccc1Br ZINC001294405892 1061973271 /nfs/dbraw/zinc/97/32/71/1061973271.db2.gz CGKSKLQAARKPFF-ZDUSSCGKSA-N 0 1 458.312 2.604 20 0 JFADMN CC(C)(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1(N2CCOCC2)CCCCC1 ZINC001287028765 1061976686 /nfs/dbraw/zinc/97/66/86/1061976686.db2.gz KLRBPYOIOJGZDZ-FQEVSTJZSA-N 0 1 460.667 2.994 20 0 JFADMN CC(C)(C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CCc2cccs2)CC1 ZINC001287044776 1062020661 /nfs/dbraw/zinc/02/06/61/1062020661.db2.gz GTTSLLLDKFMJGJ-UHFFFAOYSA-N 0 1 481.670 2.995 20 0 JFADMN Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001290304489 1062031391 /nfs/dbraw/zinc/03/13/91/1062031391.db2.gz LWCNAJATQTUFRQ-UHFFFAOYSA-N 0 1 486.539 2.765 20 0 JFADMN CC(C)(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCc2cccs2)CC1 ZINC001287048066 1062035626 /nfs/dbraw/zinc/03/56/26/1062035626.db2.gz PFPBXBDEXKVNQG-LJQANCHMSA-N 0 1 460.648 2.861 20 0 JFADMN Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CN(CC(C)C)CCO3)C2)n1 ZINC001290317207 1062040538 /nfs/dbraw/zinc/04/05/38/1062040538.db2.gz DDGHVWHIQKVVFY-UXHICEINSA-N 0 1 489.690 2.922 20 0 JFADMN Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H](C)C2)c1 ZINC001290335782 1062054908 /nfs/dbraw/zinc/05/49/08/1062054908.db2.gz BVLDIUNAYARIFY-FUHWJXTLSA-N 0 1 451.662 2.918 20 0 JFADMN CN1CCN(Cc2cccc(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c2)CC1 ZINC001294562298 1062079597 /nfs/dbraw/zinc/07/95/97/1062079597.db2.gz AAQMSODIQBRAHR-UHFFFAOYSA-N 0 1 456.034 2.639 20 0 JFADMN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCOCC2)C1 ZINC001287062621 1062109498 /nfs/dbraw/zinc/10/94/98/1062109498.db2.gz CPMDPVXZGSDTIL-RTWAWAEBSA-N 0 1 492.665 2.636 20 0 JFADMN CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)[C@H](CC)C1 ZINC001294617081 1062126423 /nfs/dbraw/zinc/12/64/23/1062126423.db2.gz NIPDQWFIQAPKKK-WOJBJXKFSA-N 0 1 480.654 2.934 20 0 JFADMN CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001294635914 1062147546 /nfs/dbraw/zinc/14/75/46/1062147546.db2.gz GYWJVUFWWUPTNV-BGYRXZFFSA-N 0 1 472.638 2.905 20 0 JFADMN Cc1nc(Cc2nnc(N3CC[C@H](N4CCCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)cs1 ZINC001290418386 1062151905 /nfs/dbraw/zinc/15/19/05/1062151905.db2.gz ZPENWYARTQBVFK-IBGZPJMESA-N 0 1 480.704 2.912 20 0 JFADMN Cc1nc(Cc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290418795 1062152969 /nfs/dbraw/zinc/15/29/69/1062152969.db2.gz ZLPBKTGPXBRLDE-UHFFFAOYSA-N 0 1 487.596 2.869 20 0 JFADMN Cc1nc(Cc2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290418795 1062152982 /nfs/dbraw/zinc/15/29/82/1062152982.db2.gz ZLPBKTGPXBRLDE-UHFFFAOYSA-N 0 1 487.596 2.869 20 0 JFADMN CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N[C@H]3CCCc4cn[nH]c43)c2C(F)F)C1 ZINC001294643831 1062168650 /nfs/dbraw/zinc/16/86/50/1062168650.db2.gz OGHYGVWRXKHIKG-STQMWFEESA-N 0 1 451.478 2.928 20 0 JFADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCS3(=O)=O)ccc2Cl)cc1 ZINC001290429339 1062184674 /nfs/dbraw/zinc/18/46/74/1062184674.db2.gz MUMDEFIJCXHBRG-INIZCTEOSA-N 0 1 458.945 2.665 20 0 JFADMN Cc1nc(Cc2nnc(N3CCN(CCc4ccccc4)CC3)n2CCCC(=O)N(C)C)cs1 ZINC001290435043 1062202858 /nfs/dbraw/zinc/20/28/58/1062202858.db2.gz FLNJAPZQCADWJJ-UHFFFAOYSA-N 0 1 481.670 2.867 20 0 JFADMN Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CN(CC(C)C)CCO2)cs1 ZINC001290440790 1062210275 /nfs/dbraw/zinc/21/02/75/1062210275.db2.gz XGKNKOMFHZSCQJ-LPHOPBHVSA-N 0 1 450.678 2.932 20 0 JFADMN Cc1n[nH]c(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)n1 ZINC001290447999 1062224665 /nfs/dbraw/zinc/22/46/65/1062224665.db2.gz NNHVFEZVLQARKV-MRXNPFEDSA-N 0 1 452.563 2.820 20 0 JFADMN Cc1nnc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)[nH]1 ZINC001290447999 1062224684 /nfs/dbraw/zinc/22/46/84/1062224684.db2.gz NNHVFEZVLQARKV-MRXNPFEDSA-N 0 1 452.563 2.820 20 0 JFADMN Cc1n[nH]c(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](OCC(C)C)C2)n1 ZINC001290448101 1062225460 /nfs/dbraw/zinc/22/54/60/1062225460.db2.gz JKSPAXZNESTIDV-OAHLLOKOSA-N 0 1 463.384 2.956 20 0 JFADMN Cc1nnc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](OCC(C)C)C2)[nH]1 ZINC001290448101 1062225481 /nfs/dbraw/zinc/22/54/81/1062225481.db2.gz JKSPAXZNESTIDV-OAHLLOKOSA-N 0 1 463.384 2.956 20 0 JFADMN Cc1n[nH]c(CCn2c([C@@H]3CCCCO3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1 ZINC001290455579 1062233694 /nfs/dbraw/zinc/23/36/94/1062233694.db2.gz GRUGDSGAQHFBML-XLIONFOSSA-N 0 1 466.590 2.845 20 0 JFADMN 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CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001292275709 1065052366 /nfs/dbraw/zinc/05/23/66/1065052366.db2.gz UYTKTIFDKPHVCZ-OAQYLSRUSA-N 0 1 474.650 2.629 20 0 JFADMN Cc1nc(C(=O)Nc2ccc(N3CCSCC3)cc2C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001292299744 1065070518 /nfs/dbraw/zinc/07/05/18/1065070518.db2.gz XLTCMUJHCSXORH-UHFFFAOYSA-N 0 1 452.466 2.827 20 0 JFADMN CC[C@@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)CN2CCOCC2)CCO1 ZINC001292352238 1065096857 /nfs/dbraw/zinc/09/68/57/1065096857.db2.gz FVKMQVMUHFEVDZ-DFBJGRDBSA-N 0 1 473.618 2.936 20 0 JFADMN CC[C@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)CN2CCOCC2)CCO1 ZINC001292352241 1065096969 /nfs/dbraw/zinc/09/69/69/1065096969.db2.gz FVKMQVMUHFEVDZ-UQBPGWFLSA-N 0 1 473.618 2.936 20 0 JFADMN CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001292432385 1065158619 /nfs/dbraw/zinc/15/86/19/1065158619.db2.gz GNQCWVDIGQAAMP-LJQANCHMSA-N 0 1 451.531 2.831 20 0 JFADMN CCc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)cc1 ZINC001292459805 1065185999 /nfs/dbraw/zinc/18/59/99/1065185999.db2.gz DZSFBASJYRYJHD-VGSWGCGISA-N 0 1 465.689 2.814 20 0 JFADMN Cc1[nH]nc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1I ZINC001292467560 1065194086 /nfs/dbraw/zinc/19/40/86/1065194086.db2.gz GRKMQMLCLRMOGK-UHFFFAOYSA-N 0 1 458.687 2.574 20 0 JFADMN CCc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001292513613 1065233476 /nfs/dbraw/zinc/23/34/76/1065233476.db2.gz IPIKKRWKKYHHPL-SFTDATJTSA-N 0 1 498.672 2.690 20 0 JFADMN CCc1cccc2c(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCN(CC)[C@@H](C)C3)c[nH]c21 ZINC001292567316 1065278533 /nfs/dbraw/zinc/27/85/33/1065278533.db2.gz ICFFGEAUBZCYPD-ROUUACIJSA-N 0 1 487.674 2.705 20 0 JFADMN CCc1ccccc1OCc1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001292589520 1065305806 /nfs/dbraw/zinc/30/58/06/1065305806.db2.gz MFFYIFXISGKDDS-QUCCMNQESA-N 0 1 461.632 2.527 20 0 JFADMN CCc1ccccc1OCc1nnc(N2C[C@H]3CCCN3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001292589521 1065305931 /nfs/dbraw/zinc/30/59/31/1065305931.db2.gz MFFYIFXISGKDDS-UYAOXDASSA-N 0 1 461.632 2.527 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1(N(C)C)CCC1 ZINC001292600100 1065321263 /nfs/dbraw/zinc/32/12/63/1065321263.db2.gz AZNQCBHDGXWFLG-UHFFFAOYSA-N 0 1 475.659 2.917 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCc1nc(C)n[nH]1 ZINC001292606255 1065331999 /nfs/dbraw/zinc/33/19/99/1065331999.db2.gz OGUFGAGLWCJFCQ-FQEVSTJZSA-N 0 1 480.617 2.830 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCc1nnc(C)[nH]1 ZINC001292606255 1065332012 /nfs/dbraw/zinc/33/20/12/1065332012.db2.gz OGUFGAGLWCJFCQ-FQEVSTJZSA-N 0 1 480.617 2.830 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCN(CC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F ZINC001292614409 1065343991 /nfs/dbraw/zinc/34/39/91/1065343991.db2.gz DXMDPXTWALTKRN-INIZCTEOSA-N 0 1 468.524 2.628 20 0 JFADMN CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H](c1ccco1)N(C)C ZINC001292616317 1065350652 /nfs/dbraw/zinc/35/06/52/1065350652.db2.gz TTWODGWIWVDDLE-AZUAARDMSA-N 0 1 466.586 2.982 20 0 JFADMN CCc1cnc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)s1 ZINC001292642561 1065378647 /nfs/dbraw/zinc/37/86/47/1065378647.db2.gz WONITJYPLDNYND-ROUUACIJSA-N 0 1 480.704 2.956 20 0 JFADMN CCc1nc(CCn2c(CCc3ccc(OC)cc3)nnc2N2CCN(CC)[C@H](C)C2)no1 ZINC001292717745 1065473344 /nfs/dbraw/zinc/47/33/44/1065473344.db2.gz JNISKJXBRHFZRG-GOSISDBHSA-N 0 1 453.591 2.790 20 0 JFADMN CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@@H](C)CC)n2CCc2nc(C)n[nH]2)CC1 ZINC001292768939 1065524179 /nfs/dbraw/zinc/52/41/79/1065524179.db2.gz JQVPGHYSKQCYSZ-HNNXBMFYSA-N 0 1 475.045 2.732 20 0 JFADMN CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@@H](C)CC)n2CCc2nnc(C)[nH]2)CC1 ZINC001292768939 1065524193 /nfs/dbraw/zinc/52/41/93/1065524193.db2.gz JQVPGHYSKQCYSZ-HNNXBMFYSA-N 0 1 475.045 2.732 20 0 JFADMN CCc1nnc(Cn2c(-c3ccccc3OC)nnc2N2CCN(CCOC)[C@@H](CC)C2)s1 ZINC001292790611 1065552231 /nfs/dbraw/zinc/55/22/31/1065552231.db2.gz LUPYSOQYUBVUCX-KRWDZBQOSA-N 0 1 471.631 2.963 20 0 JFADMN CN(C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1CN2CCC1CC2 ZINC001292873086 1065581736 /nfs/dbraw/zinc/58/17/36/1065581736.db2.gz OFBYXMLELGZHFX-MRXNPFEDSA-N 0 1 458.422 2.692 20 0 JFADMN CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001292911807 1065602105 /nfs/dbraw/zinc/60/21/05/1065602105.db2.gz MKKZYISGMWHTDC-JENIJYKNSA-N 0 1 473.618 2.799 20 0 JFADMN CCc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCc1nc(C)n[nH]1 ZINC001293036081 1065704860 /nfs/dbraw/zinc/70/48/60/1065704860.db2.gz RVTSIECSKZFTEM-HNNXBMFYSA-N 0 1 468.553 2.981 20 0 JFADMN CCc1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CCc1nnc(C)[nH]1 ZINC001293036081 1065704872 /nfs/dbraw/zinc/70/48/72/1065704872.db2.gz RVTSIECSKZFTEM-HNNXBMFYSA-N 0 1 468.553 2.981 20 0 JFADMN CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001293062948 1065716383 /nfs/dbraw/zinc/71/63/83/1065716383.db2.gz VLKCMSRPZFJVDL-SFTDATJTSA-N 0 1 454.619 2.692 20 0 JFADMN CCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001293072695 1065725351 /nfs/dbraw/zinc/72/53/51/1065725351.db2.gz RSZHWKAVNHSENA-AVRDEDQJSA-N 0 1 467.536 2.839 20 0 JFADMN CN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)[C@H]1CCSC1 ZINC001293074763 1065727149 /nfs/dbraw/zinc/72/71/49/1065727149.db2.gz OTDMAUIDIXPOMS-XZOQPEGZSA-N 0 1 455.599 2.875 20 0 JFADMN COc1ccc(Br)cc1-c1nc(C(=O)N[C@H](C)CN2CCN(C)CC2)cs1 ZINC001293094871 1065744595 /nfs/dbraw/zinc/74/45/95/1065744595.db2.gz WRCBWYXPRMPPBA-CYBMUJFWSA-N 0 1 453.406 2.947 20 0 JFADMN Cc1cc(Cn2nnc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c2C)no1 ZINC001293109062 1065754953 /nfs/dbraw/zinc/75/49/53/1065754953.db2.gz LLKUXFYSZLKLHZ-UHFFFAOYSA-N 0 1 457.966 2.527 20 0 JFADMN CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC1(N2CCOCC2)CCCCC1 ZINC001293122010 1065774879 /nfs/dbraw/zinc/77/48/79/1065774879.db2.gz KBQMYLSIMPSZOT-UHFFFAOYSA-N 0 1 476.563 2.898 20 0 JFADMN CCc1nnc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1C[C@H](C(CC)CC)N1CCOCC1 ZINC001293123700 1065776777 /nfs/dbraw/zinc/77/67/77/1065776777.db2.gz LGVGWGMXSSJTRO-XMMPIXPASA-N 0 1 486.709 2.650 20 0 JFADMN CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001293132385 1065784961 /nfs/dbraw/zinc/78/49/61/1065784961.db2.gz VZMOOWKFZGNSJT-FGZHOGPDSA-N 0 1 486.661 2.548 20 0 JFADMN CN1CCN(c2ccccc2CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC001293183175 1065804564 /nfs/dbraw/zinc/80/45/64/1065804564.db2.gz PSDIYPSXDZNSSQ-OAQYLSRUSA-N 0 1 450.352 2.864 20 0 JFADMN CCc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CCCCN3CCOCC3)CC2)n1 ZINC001293188945 1065815119 /nfs/dbraw/zinc/81/51/19/1065815119.db2.gz QJMMUHZQUULDKD-FQEVSTJZSA-N 0 1 488.681 2.808 20 0 JFADMN CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCSCC1 ZINC001293214515 1065847602 /nfs/dbraw/zinc/84/76/02/1065847602.db2.gz BIZGVLJGUWQCKQ-UXHICEINSA-N 0 1 472.659 2.799 20 0 JFADMN CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO ZINC001293257609 1065921813 /nfs/dbraw/zinc/92/18/13/1065921813.db2.gz MSDFPRHCACYJTN-RCZSKKKRSA-N 0 1 475.659 2.820 20 0 JFADMN CCOc1ccccc1-c1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n[nH]1 ZINC001293267773 1065925664 /nfs/dbraw/zinc/92/56/64/1065925664.db2.gz UVLAJENPBWHHRK-OALUTQOASA-N 0 1 453.587 2.928 20 0 JFADMN COC[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 ZINC001293308033 1065944211 /nfs/dbraw/zinc/94/42/11/1065944211.db2.gz CIVRQMDCXABVDC-OAHLLOKOSA-N 0 1 452.401 2.766 20 0 JFADMN CC[C@H]1CCCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373121 1065977145 /nfs/dbraw/zinc/97/71/45/1065977145.db2.gz PLGDUZCHFDRQMW-RTWAWAEBSA-N 0 1 467.680 2.698 20 0 JFADMN CC[C@@H]1CCCCN1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373733 1065978310 /nfs/dbraw/zinc/97/83/10/1065978310.db2.gz RFBUDIHRMRHSRS-IFMALSPDSA-N 0 1 475.659 2.787 20 0 JFADMN CC[C@H]1CCCCN1CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293379411 1065983575 /nfs/dbraw/zinc/98/35/75/1065983575.db2.gz OUYYNBKUZHUTOE-UGKGYDQZSA-N 0 1 491.658 2.754 20 0 JFADMN CC[C@@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCN1CCOCC1 ZINC001293417332 1066000554 /nfs/dbraw/zinc/00/05/54/1066000554.db2.gz VLXMDBKZNAGZNX-OAQYLSRUSA-N 0 1 490.674 2.687 20 0 JFADMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C ZINC001293441530 1066007762 /nfs/dbraw/zinc/00/77/62/1066007762.db2.gz MVSVWURWPGVGQA-NRFANRHFSA-N 0 1 457.575 2.848 20 0 JFADMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC001293443140 1066008355 /nfs/dbraw/zinc/00/83/55/1066008355.db2.gz YJYSKAWZZQXVTF-UHFFFAOYSA-N 0 1 456.497 2.540 20 0 JFADMN CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(Cl)c2)CCN1CCOC ZINC001293505196 1066028790 /nfs/dbraw/zinc/02/87/90/1066028790.db2.gz 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JFADMN CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCn2c3ccccc3[nH]c2=O)CCN1CCOC ZINC001293519876 1066041473 /nfs/dbraw/zinc/04/14/73/1066041473.db2.gz OJXSIPOXKBPMKH-GOSISDBHSA-N 0 1 455.607 2.878 20 0 JFADMN CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CCN1CCOC ZINC001293524101 1066045330 /nfs/dbraw/zinc/04/53/30/1066045330.db2.gz KXZWMWLPFAHUQN-VAMGGRTRSA-N 0 1 477.581 2.520 20 0 JFADMN CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2COCCO2)CCN1CCOC ZINC001293524103 1066045735 /nfs/dbraw/zinc/04/57/35/1066045735.db2.gz KXZWMWLPFAHUQN-ZCNNSNEGSA-N 0 1 477.581 2.520 20 0 JFADMN CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(OC)c(Br)c2)CCN1CCOC ZINC001293529318 1066049130 /nfs/dbraw/zinc/04/91/30/1066049130.db2.gz IJBKDYSRSAMVRF-QGZVFWFLSA-N 0 1 452.397 2.953 20 0 JFADMN CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CCN1CCOC ZINC001293531082 1066051015 /nfs/dbraw/zinc/05/10/15/1066051015.db2.gz KENUBWZSNZPEFQ-KNQAVFIVSA-N 0 1 471.593 2.911 20 0 JFADMN 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