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@]12CCN(Cc3cc(Br)cnc3Cl)C[C@H]1C2(Br)Br ZINC001462432186 1068072956 /nfs/dbraw/zinc/07/29/56/1068072956.db2.gz YPAXSMVVGPYMHI-PWSUYJOCSA-N 0 1 473.434 4.825 20 0 JJADMN CC(C)c1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1Cc1cscc1C(F)(F)F ZINC001359719873 1064267439 /nfs/dbraw/zinc/26/74/39/1064267439.db2.gz ALTLUADODBGBNW-UHFFFAOYSA-N 0 1 499.525 4.621 20 0 JJADMN CC(C)c1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001359720112 1064267820 /nfs/dbraw/zinc/26/78/20/1064267820.db2.gz IBINRDVGIMRGMK-UHFFFAOYSA-N 0 1 493.496 4.560 20 0 JJADMN CC(C)c1nnc(N2CCN(CCc3cccs3)CC2)n1CCc1ccc(Br)s1 ZINC001359720493 1064267944 /nfs/dbraw/zinc/26/79/44/1064267944.db2.gz UGSPOZGCPSMQPU-UHFFFAOYSA-N 0 1 494.528 4.894 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001545865857 1064275148 /nfs/dbraw/zinc/27/51/48/1064275148.db2.gz NSSITRCMWFTSHA-OAQYLSRUSA-N 0 1 494.728 4.906 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001545868089 1064278905 /nfs/dbraw/zinc/27/89/05/1064278905.db2.gz LRCFJKDSUUZMMQ-WMZHIEFXSA-N 0 1 484.664 4.655 20 0 JJADMN Cc1ccc(NC(=O)N(C)C)c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1 ZINC001545884216 1064300446 /nfs/dbraw/zinc/30/04/46/1064300446.db2.gz NWSAYENCHZIABU-UHFFFAOYSA-N 0 1 455.387 4.871 20 0 JJADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 ZINC001434915625 1064342772 /nfs/dbraw/zinc/34/27/72/1064342772.db2.gz LWTICLQKPSDVHZ-UHFFFAOYSA-N 0 1 459.615 4.760 20 0 JJADMN Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC001434917014 1064344261 /nfs/dbraw/zinc/34/42/61/1064344261.db2.gz BCJUGHCGQAOXGO-UHFFFAOYSA-N 0 1 452.649 4.989 20 0 JJADMN CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccco2)N(C)C)CCS1 ZINC001359754369 1064345230 /nfs/dbraw/zinc/34/52/30/1064345230.db2.gz DITHTRCQWCPXIH-FYYLOGMGSA-N 0 1 453.656 4.537 20 0 JJADMN C[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434978618 1064394651 /nfs/dbraw/zinc/39/46/51/1064394651.db2.gz KSMDFVMAULSTAQ-HNNXBMFYSA-N 0 1 450.385 4.793 20 0 JJADMN CCCOc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1OCCC ZINC001434980568 1064397043 /nfs/dbraw/zinc/39/70/43/1064397043.db2.gz WIWRDQQXLMPUCR-LJQANCHMSA-N 0 1 457.590 4.646 20 0 JJADMN CCN(CC)[C@@H](C(=O)Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001434984958 1064401193 /nfs/dbraw/zinc/40/11/93/1064401193.db2.gz CRLMTNQUFANERU-LJQANCHMSA-N 0 1 451.880 4.961 20 0 JJADMN CC(C)Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CCSc1ccccc1 ZINC001359785827 1064439886 /nfs/dbraw/zinc/43/98/86/1064439886.db2.gz AZDCVYLVBQYAEW-SQJMNOBHSA-N 0 1 481.714 4.522 20 0 JJADMN CC(C)Cc1nnc(N(Cc2ccc(F)cc2F)C2CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001359787238 1064442152 /nfs/dbraw/zinc/44/21/52/1064442152.db2.gz XHODEYWTHMZTDF-OALUTQOASA-N 0 1 475.628 4.812 20 0 JJADMN CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001359792747 1064450169 /nfs/dbraw/zinc/45/01/69/1064450169.db2.gz PBRFBVFCAHUICZ-JVNMPXIPSA-N 0 1 453.675 4.747 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)c1C ZINC001359795788 1064454528 /nfs/dbraw/zinc/45/45/28/1064454528.db2.gz OFPZCCBQZDMYBI-UHFFFAOYSA-N 0 1 456.030 4.806 20 0 JJADMN CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001359802883 1064471547 /nfs/dbraw/zinc/47/15/47/1064471547.db2.gz XLKVKTIIQJZMJM-GBAAUQCPSA-N 0 1 453.675 4.747 20 0 JJADMN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001359846812 1064533147 /nfs/dbraw/zinc/53/31/47/1064533147.db2.gz ATIPBKXGNPWUQZ-UHFFFAOYSA-N 0 1 458.183 4.529 20 0 JJADMN CC(C)Cc1nnc(N2CCN3CCCC[C@@H]3C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864175 1064554412 /nfs/dbraw/zinc/55/44/12/1064554412.db2.gz HOLMCBBRGOSAGZ-HSZRJFAPSA-N 0 1 482.673 4.741 20 0 JJADMN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCN2CCOCC2)C1 ZINC001359884880 1064579681 /nfs/dbraw/zinc/57/96/81/1064579681.db2.gz RWWSBHHKASGIMV-QFIPXVFZSA-N 0 1 460.066 4.507 20 0 JJADMN CC(C)[C@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(F)cc1 ZINC001435190550 1064580043 /nfs/dbraw/zinc/58/00/43/1064580043.db2.gz GVXIVVPWRPLXQE-QFIPXVFZSA-N 0 1 451.508 4.652 20 0 JJADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207843 1064592695 /nfs/dbraw/zinc/59/26/95/1064592695.db2.gz MYLHKBCMWKOOEC-XUZZJYLKSA-N 0 1 457.659 4.973 20 0 JJADMN CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001359907614 1064623813 /nfs/dbraw/zinc/62/38/13/1064623813.db2.gz IYNMDCGPDHSDJZ-QFIPXVFZSA-N 0 1 474.694 4.503 20 0 JJADMN CCOC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)c1cc(OC)no1 ZINC001435250014 1064626611 /nfs/dbraw/zinc/62/66/11/1064626611.db2.gz MARUNIKRDJACHK-UHFFFAOYSA-N 0 1 451.298 4.603 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC001435319047 1064691926 /nfs/dbraw/zinc/69/19/26/1064691926.db2.gz KLQNPUAKBJZHPE-UHFFFAOYSA-N 0 1 457.665 4.958 20 0 JJADMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)cc1 ZINC001545890450 1064720864 /nfs/dbraw/zinc/72/08/64/1064720864.db2.gz AZVMFBJUIQXGGS-SANMLTNESA-N 0 1 458.558 4.502 20 0 JJADMN CC(C)CCOC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCSCC2)CC1 ZINC001359955317 1064724659 /nfs/dbraw/zinc/72/46/59/1064724659.db2.gz ZMWJXMOWAMOVKD-UHFFFAOYSA-N 0 1 478.106 4.679 20 0 JJADMN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC001435382034 1064731721 /nfs/dbraw/zinc/73/17/21/1064731721.db2.gz HPYDGERZSSZIAR-UHFFFAOYSA-N 0 1 454.596 4.940 20 0 JJADMN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1 ZINC001435381602 1064731796 /nfs/dbraw/zinc/73/17/96/1064731796.db2.gz DWKNKTRNYDHMGH-UHFFFAOYSA-N 0 1 454.596 4.892 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)C1 ZINC001359966224 1064741485 /nfs/dbraw/zinc/74/14/85/1064741485.db2.gz NPZITTZKUDVBHY-YWZLYKJASA-N 0 1 456.493 4.903 20 0 JJADMN Cc1ccccc1-c1cc(C(=O)NCCN(C)Cc2ccc(F)cc2)c2cnn(C(C)C)c2n1 ZINC001435418162 1064747598 /nfs/dbraw/zinc/74/75/98/1064747598.db2.gz YQDJJNOVOFNGGL-UHFFFAOYSA-N 0 1 459.569 4.989 20 0 JJADMN CC(C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](c1ccco1)N(C)C ZINC001359971122 1064747681 /nfs/dbraw/zinc/74/76/81/1064747681.db2.gz NIZNVOCXGIIKNK-SFHVURJKSA-N 0 1 464.383 4.835 20 0 JJADMN CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN1CCOCC1)C1CCCC1 ZINC001359984566 1064762071 /nfs/dbraw/zinc/76/20/71/1064762071.db2.gz APIGIIJKDLPGBC-FQEVSTJZSA-N 0 1 460.066 4.972 20 0 JJADMN CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC001359993300 1064776737 /nfs/dbraw/zinc/77/67/37/1064776737.db2.gz QHUSFQPNLQJFKO-NHCUHLMSSA-N 0 1 475.653 4.755 20 0 JJADMN C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC001435561456 1064832894 /nfs/dbraw/zinc/83/28/94/1064832894.db2.gz DWQSJHFFOKGWIY-KHVXQDHOSA-N 0 1 455.602 4.669 20 0 JJADMN C[C@H]1CN(C(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001435565098 1064837203 /nfs/dbraw/zinc/83/72/03/1064837203.db2.gz HWQQOESYYIGCKO-SFTDATJTSA-N 0 1 455.643 4.535 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001360034964 1064839385 /nfs/dbraw/zinc/83/93/85/1064839385.db2.gz IFLMTGSOGSNCIE-GOTSBHOMSA-N 0 1 471.715 4.541 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@@H]2C(C)C)C1 ZINC001360035513 1064841404 /nfs/dbraw/zinc/84/14/04/1064841404.db2.gz NRRLDAFMBOXBAC-QZTJIDSGSA-N 0 1 496.519 4.751 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001360035929 1064842294 /nfs/dbraw/zinc/84/22/94/1064842294.db2.gz RGKHQLIGPKGICN-AREMUKBSSA-N 0 1 497.728 4.993 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC(OC(C)C)CC2)C1 ZINC001360035930 1064842545 /nfs/dbraw/zinc/84/25/45/1064842545.db2.gz RGKHQLIGPKGICN-SANMLTNESA-N 0 1 497.728 4.993 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)c2ccccc2F)C1 ZINC001360038205 1064849601 /nfs/dbraw/zinc/84/96/01/1064849601.db2.gz CJWOPINZTPFAPI-UNMCSNQZSA-N 0 1 457.638 4.704 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)c2ccccc2F)C1 ZINC001360038201 1064849912 /nfs/dbraw/zinc/84/99/12/1064849912.db2.gz CJWOPINZTPFAPI-IRLDBZIGSA-N 0 1 457.638 4.704 20 0 JJADMN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC001435587594 1064852247 /nfs/dbraw/zinc/85/22/47/1064852247.db2.gz MFYYNCVPRJTVHJ-SECBINFHSA-N 0 1 451.659 4.799 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(CCCc3ccccc3)nnc2N(C)C2CCCCC2)C1 ZINC001360039043 1064852461 /nfs/dbraw/zinc/85/24/61/1064852461.db2.gz LTHMHVJFBZIDEU-VWLOTQADSA-N 0 1 453.675 4.579 20 0 JJADMN COc1ccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)nc1Br ZINC001435606773 1064870188 /nfs/dbraw/zinc/87/01/88/1064870188.db2.gz TVISCXYPHGFJAP-UHFFFAOYSA-N 0 1 450.296 4.557 20 0 JJADMN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)nc1Br ZINC001435606773 1064870199 /nfs/dbraw/zinc/87/01/99/1064870199.db2.gz TVISCXYPHGFJAP-UHFFFAOYSA-N 0 1 450.296 4.557 20 0 JJADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001435620227 1064882110 /nfs/dbraw/zinc/88/21/10/1064882110.db2.gz JCBAENPMVSXIKO-ZDUSSCGKSA-N 0 1 450.848 4.726 20 0 JJADMN CC(C)CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CC=CCC2)C1 ZINC001360058772 1064895885 /nfs/dbraw/zinc/89/58/85/1064895885.db2.gz VRFPTUXFBJRECY-OFNKIYASSA-N 0 1 474.049 4.585 20 0 JJADMN Cc1cc(Br)c(CC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435750015 1064974812 /nfs/dbraw/zinc/97/48/12/1064974812.db2.gz WPFBHIMJYSQTOG-YJYMSZOUSA-N 0 1 459.812 4.963 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435750525 1064975431 /nfs/dbraw/zinc/97/54/31/1064975431.db2.gz RLRWGAWRVSTVGQ-HTAPYJJXSA-N 0 1 459.974 4.937 20 0 JJADMN CC(C)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2)CC1 ZINC001360149283 1065052289 /nfs/dbraw/zinc/05/22/89/1065052289.db2.gz IWKHLRIXNHXHPE-IBGZPJMESA-N 0 1 464.477 4.524 20 0 JJADMN CC(C)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001360150258 1065054010 /nfs/dbraw/zinc/05/40/10/1065054010.db2.gz WWSCHXQZKNMGAA-HNNXBMFYSA-N 0 1 486.380 4.813 20 0 JJADMN CC(C)N1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)CC1 ZINC001360152507 1065055685 /nfs/dbraw/zinc/05/56/85/1065055685.db2.gz NLCWJKMCQVVCBH-NRFANRHFSA-N 0 1 476.710 4.605 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001545894315 1065072005 /nfs/dbraw/zinc/07/20/05/1065072005.db2.gz UFUHSIZEJGSHMB-HXUWFJFHSA-N 0 1 472.703 4.722 20 0 JJADMN CCc1c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cnn1-c1cccc(Cl)c1 ZINC001360213759 1065083292 /nfs/dbraw/zinc/08/32/92/1065083292.db2.gz KLIOPHSXGGKRCR-UHFFFAOYSA-N 0 1 459.034 4.632 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC001360249075 1065098290 /nfs/dbraw/zinc/09/82/90/1065098290.db2.gz XPNKNFBVIAHUKL-NFBKMPQASA-N 0 1 475.511 4.622 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cccc(F)c2OC(F)(F)F)c1 ZINC001360249076 1065098344 /nfs/dbraw/zinc/09/83/44/1065098344.db2.gz XTRWBQALWWYEAG-UHFFFAOYSA-N 0 1 453.436 4.791 20 0 JJADMN O=C(Nc1cccc(OC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1)c1ccco1 ZINC001360252427 1065100327 /nfs/dbraw/zinc/10/03/27/1065100327.db2.gz JTKKOPMPKIJAKA-HSZRJFAPSA-N 0 1 458.436 4.892 20 0 JJADMN CC1CCC(N2CCN(C(=O)c3csc(-c4ccc(Br)s4)n3)CC2)CC1 ZINC001360294243 1065128871 /nfs/dbraw/zinc/12/88/71/1065128871.db2.gz FOQDCAMIRPPNJW-UHFFFAOYSA-N 0 1 454.459 4.971 20 0 JJADMN CC(C)O[C@]1(c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)CCOC1 ZINC001360348553 1065196440 /nfs/dbraw/zinc/19/64/40/1065196440.db2.gz YGOZQRZFTQKAGM-QDPGVEIFSA-N 0 1 483.701 4.856 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001545895915 1065231376 /nfs/dbraw/zinc/23/13/76/1065231376.db2.gz HYJZMIQDMQQTSU-SQJMNOBHSA-N 0 1 480.701 4.660 20 0 JJADMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 ZINC001436239433 1065272202 /nfs/dbraw/zinc/27/22/02/1065272202.db2.gz BMPGVGBMKXUQJV-UHFFFAOYSA-N 0 1 450.388 4.737 20 0 JJADMN CC(C)OCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001360409478 1065272959 /nfs/dbraw/zinc/27/29/59/1065272959.db2.gz IUQJJQKJBUNUME-ZJSXRUAMSA-N 0 1 490.092 4.741 20 0 JJADMN CC(C)OCCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(C)C)CC2)CC1 ZINC001360409693 1065273183 /nfs/dbraw/zinc/27/31/83/1065273183.db2.gz QKEXBZKOLXZLJA-UHFFFAOYSA-N 0 1 490.490 4.691 20 0 JJADMN CC(C)OCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001360409476 1065273336 /nfs/dbraw/zinc/27/33/36/1065273336.db2.gz IUQJJQKJBUNUME-URXFXBBRSA-N 0 1 490.092 4.741 20 0 JJADMN Cc1ccc(CCCC(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)s1 ZINC001436257200 1065277306 /nfs/dbraw/zinc/27/73/06/1065277306.db2.gz OQOOCWNKBYPMDP-HNNXBMFYSA-N 0 1 450.446 4.921 20 0 JJADMN 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C[C@]1(C(=O)Nc2ccc(CN3CCCC3)c(C(F)(F)F)c2)CCCN1C(=O)c1ccccc1 ZINC001439224298 1065801293 /nfs/dbraw/zinc/80/12/93/1065801293.db2.gz LEARXWYVBSIVFF-XMMPIXPASA-N 0 1 459.512 4.935 20 0 JJADMN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCCCCC2)n1CCCCN1CCOCC1 ZINC001360758972 1065826964 /nfs/dbraw/zinc/82/69/64/1065826964.db2.gz WRNSSORSUFSXIU-FQEVSTJZSA-N 0 1 462.038 4.564 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCc1sccc1C ZINC001545924064 1065855201 /nfs/dbraw/zinc/85/52/01/1065855201.db2.gz OTMATPIOTNPPST-OAQYLSRUSA-N 0 1 494.709 4.520 20 0 JJADMN CC(C)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001360774825 1065875436 /nfs/dbraw/zinc/87/54/36/1065875436.db2.gz UGHBKVBJXYQLKU-AWRGLXIESA-N 0 1 487.664 4.929 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCCC2CCCC2)c1 ZINC001440301160 1065929114 /nfs/dbraw/zinc/92/91/14/1065929114.db2.gz CEXJLCZMURWGGJ-UHFFFAOYSA-N 0 1 450.988 4.850 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)Cc1cc(Cl)ccc1Br)N1CCCC1 ZINC001440373517 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1 451.283 4.634 20 0 JJADMN CN(C)[C@@H](CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1cccc(F)c1 ZINC001440675837 1065963103 /nfs/dbraw/zinc/96/31/03/1065963103.db2.gz NJNOTJZCWHUBJG-QHCPKHFHSA-N 0 1 454.929 4.508 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001440731094 1065971534 /nfs/dbraw/zinc/97/15/34/1065971534.db2.gz AXBMZCRIYIKGDV-AUUYWEPGSA-N 0 1 456.940 4.772 20 0 JJADMN O=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440748826 1065975915 /nfs/dbraw/zinc/97/59/15/1065975915.db2.gz UFNIQKKLVMAXLK-JXMROGBWSA-N 0 1 451.920 4.701 20 0 JJADMN C[C@@H]1CN(CCCNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440826756 1065982104 /nfs/dbraw/zinc/98/21/04/1065982104.db2.gz NNXACICWTYIYSC-HYFFOGBASA-N 0 1 451.007 4.928 20 0 JJADMN C[C@@H]1CN(CCCNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@@H](C)O1 ZINC001440830329 1065982672 /nfs/dbraw/zinc/98/26/72/1065982672.db2.gz TVEGAAOFNPXZRN-DRSNIGMVSA-N 0 1 451.394 4.729 20 0 JJADMN Cc1ccc(C2(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)CCCCC2)c(Br)c1 ZINC001440830537 1065982724 /nfs/dbraw/zinc/98/27/24/1065982724.db2.gz URTHZVDLGLHSNG-RTBURBONSA-N 0 1 451.449 4.575 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866152 1065987408 /nfs/dbraw/zinc/98/74/08/1065987408.db2.gz NJSCTSYHOPZNSW-WSTZPKSXSA-N 0 1 497.606 4.921 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360868647 1065993336 /nfs/dbraw/zinc/99/33/36/1065993336.db2.gz JJBOPQBXCBRTGB-MQSCRBSSSA-N 0 1 469.674 4.771 20 0 JJADMN CCOc1cc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954327 1065996915 /nfs/dbraw/zinc/99/69/15/1065996915.db2.gz PFNLWEOFWSGXFD-FHWLQOOXSA-N 0 1 453.583 4.936 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1ccsc1 ZINC001441009982 1065999773 /nfs/dbraw/zinc/99/97/73/1065999773.db2.gz WBIISEKZJMARKR-KNQAVFIVSA-N 0 1 457.640 4.725 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CCCCN2CCOCC2)c1C ZINC001360870220 1066001534 /nfs/dbraw/zinc/00/15/34/1066001534.db2.gz NPXRODRCCSQVEX-BJKOFHAPSA-N 0 1 469.674 4.630 20 0 JJADMN CCN(C(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(Br)c1 ZINC001441085385 1066006623 /nfs/dbraw/zinc/00/66/23/1066006623.db2.gz QIBZCFXEOZMBOZ-UHFFFAOYSA-N 0 1 450.808 4.668 20 0 JJADMN CC[C@](O)(CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC001441173256 1066011413 /nfs/dbraw/zinc/01/14/13/1066011413.db2.gz POTNCEXEJPTVLY-LJAQVGFWSA-N 0 1 457.618 4.631 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC001441339251 1066030549 /nfs/dbraw/zinc/03/05/49/1066030549.db2.gz GULCOBHIGCOKOT-NRSPTQNISA-N 0 1 450.023 4.677 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCc2c(cnn2-c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001441397043 1066037289 /nfs/dbraw/zinc/03/72/89/1066037289.db2.gz KHBQWWZPVRGTNB-HSZRJFAPSA-N 0 1 456.512 4.859 20 0 JJADMN Cc1sc(CC(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)nc1C(C)C ZINC001441548393 1066050161 /nfs/dbraw/zinc/05/01/61/1066050161.db2.gz NKXHPQFKUGAOQP-UHFFFAOYSA-N 0 1 453.586 4.758 20 0 JJADMN CCC(CC)n1nc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)cc1C ZINC001441548418 1066050335 /nfs/dbraw/zinc/05/03/35/1066050335.db2.gz OAPBEGPPUBLORH-UHFFFAOYSA-N 0 1 450.561 4.806 20 0 JJADMN Cc1c(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cnn1-c1cc(C)ccc1C ZINC001441588902 1066051937 /nfs/dbraw/zinc/05/19/37/1066051937.db2.gz GVBRHWUWGLASQZ-UHFFFAOYSA-N 0 1 459.594 4.864 20 0 JJADMN COc1cccc(Oc2ccc(CNC(=O)[C@H](C)N3CCC(Cc4ccccc4)CC3)cn2)c1 ZINC001441666308 1066058995 /nfs/dbraw/zinc/05/89/95/1066058995.db2.gz CYULAJXPLVYCEX-NRFANRHFSA-N 0 1 459.590 4.842 20 0 JJADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001441669772 1066059480 /nfs/dbraw/zinc/05/94/80/1066059480.db2.gz WNOMIVXTUYVGJN-DEOSSOPVSA-N 0 1 453.558 4.974 20 0 JJADMN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CCC(N2CCOCC2)CC1 ZINC001441744726 1066067423 /nfs/dbraw/zinc/06/74/23/1066067423.db2.gz DBTNIWHMTLAKJD-UHFFFAOYSA-N 0 1 454.423 4.870 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)N1CCCCC1 ZINC001441877793 1066076379 /nfs/dbraw/zinc/07/63/79/1066076379.db2.gz AGYDPWRSQOHRTQ-XMMPIXPASA-N 0 1 451.611 4.945 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)N1CCCCC1 ZINC001441886796 1066078061 /nfs/dbraw/zinc/07/80/61/1066078061.db2.gz PLQJZCLSQNQUCR-JOCHJYFZSA-N 0 1 455.574 4.776 20 0 JJADMN CC(C)(C)CCN1CCN(C(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001442013155 1066085484 /nfs/dbraw/zinc/08/54/84/1066085484.db2.gz WMQINHBFGZALDR-RUZDIDTESA-N 0 1 452.639 4.906 20 0 JJADMN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](c2ccco2)N(C)C)cnn1C ZINC001360929640 1066085702 /nfs/dbraw/zinc/08/57/02/1066085702.db2.gz LFGJBOIERAOCRU-GCJKJVERSA-N 0 1 498.031 4.646 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOC2CCCCC2)ccc1Cl ZINC001442099371 1066092990 /nfs/dbraw/zinc/09/29/90/1066092990.db2.gz GXSSETJXDTUXDF-UHFFFAOYSA-N 0 1 450.988 4.528 20 0 JJADMN CN1CCN(Cc2cccc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCCC3)c2)CC1 ZINC001442188370 1066100576 /nfs/dbraw/zinc/10/05/76/1066100576.db2.gz SAWQLYPLPWXRBO-UHFFFAOYSA-N 0 1 459.556 4.695 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2Cl)CC1 ZINC001442233270 1066105942 /nfs/dbraw/zinc/10/59/42/1066105942.db2.gz NBTGSXJJBGJZSQ-RTBURBONSA-N 0 1 479.065 4.894 20 0 JJADMN CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001442329545 1066116410 /nfs/dbraw/zinc/11/64/10/1066116410.db2.gz REQDZLJZSKBDGR-QGZVFWFLSA-N 0 1 459.306 4.986 20 0 JJADMN Cc1c(Cl)cccc1Cn1c(N2CCN(CCCOCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC001360982697 1066142837 /nfs/dbraw/zinc/14/28/37/1066142837.db2.gz SNKVDZTZTMFKLL-UHFFFAOYSA-N 0 1 487.998 4.677 20 0 JJADMN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC001442618392 1066145834 /nfs/dbraw/zinc/14/58/34/1066145834.db2.gz QXFWRLGESKVKJZ-FQEVSTJZSA-N 0 1 450.435 4.859 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccsc1)N(C)C ZINC001360985484 1066147233 /nfs/dbraw/zinc/14/72/33/1066147233.db2.gz BVNXKLVZWMKKJR-FCHUYYIVSA-N 0 1 496.681 4.576 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccco1)N(C)C ZINC001360985940 1066149634 /nfs/dbraw/zinc/14/96/34/1066149634.db2.gz PEOQLXGWXDIJME-OAQYLSRUSA-N 0 1 464.614 4.523 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001360986270 1066150162 /nfs/dbraw/zinc/15/01/62/1066150162.db2.gz ZCZCUWBIPBLOPF-VXKWHMMOSA-N 0 1 496.700 4.515 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001360986269 1066150254 /nfs/dbraw/zinc/15/02/54/1066150254.db2.gz ZCZCUWBIPBLOPF-SZPZYZBQSA-N 0 1 496.700 4.515 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1C[C@H](c1ccsc1)N(C)C ZINC001360986323 1066151446 /nfs/dbraw/zinc/15/14/46/1066151446.db2.gz ASUSBOBWZDWWMR-OAQYLSRUSA-N 0 1 468.671 4.533 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CCCCN1CCOCC1 ZINC001360990046 1066165253 /nfs/dbraw/zinc/16/52/53/1066165253.db2.gz PHRAXWYQKVMOAB-LJQANCHMSA-N 0 1 498.018 4.646 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCCCCCO ZINC001360991644 1066170269 /nfs/dbraw/zinc/17/02/69/1066170269.db2.gz DQCMFKMDFMBOLS-GMAHTHKFSA-N 0 1 490.092 4.916 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001360992797 1066172599 /nfs/dbraw/zinc/17/25/99/1066172599.db2.gz UWMYRZDGSMMLDH-IPVFLDMMSA-N 0 1 490.092 4.770 20 0 JJADMN Cc1cccc([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC(C)C)CC2)c1 ZINC001361004235 1066182492 /nfs/dbraw/zinc/18/24/92/1066182492.db2.gz JYOWWJHDUHFDST-NRFANRHFSA-N 0 1 483.060 4.653 20 0 JJADMN Cc1cc(C)c(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCN(C(C)C)CC2)c(C)c1 ZINC001361011762 1066195535 /nfs/dbraw/zinc/19/55/35/1066195535.db2.gz CKYYLCSSDCBJEE-ZRZAMGCNSA-N 0 1 496.700 4.553 20 0 JJADMN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](c2ccsc2)N(C)C)c(C)c1 ZINC001361014474 1066201296 /nfs/dbraw/zinc/20/12/96/1066201296.db2.gz ONVJSMONZXHAMF-QFIPXVFZSA-N 0 1 482.698 4.841 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H](c2ccco2)N(C)C)c1 ZINC001361024373 1066221922 /nfs/dbraw/zinc/22/19/22/1066221922.db2.gz LDWWQIFGENMTFT-XPNTWCBSSA-N 0 1 451.615 4.852 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H](c2ccco2)N(C)C)c1 ZINC001361024369 1066222155 /nfs/dbraw/zinc/22/21/55/1066222155.db2.gz LDWWQIFGENMTFT-MQSCRBSSSA-N 0 1 451.615 4.852 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001361026833 1066227647 /nfs/dbraw/zinc/22/76/47/1066227647.db2.gz IANPXHDRDNRNMK-RSXGOPAZSA-N 0 1 483.701 4.703 20 0 JJADMN CCSc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c(Br)c1 ZINC001442877909 1066236101 /nfs/dbraw/zinc/23/61/01/1066236101.db2.gz KOYVQANZJWLAQW-LJQANCHMSA-N 0 1 451.430 4.958 20 0 JJADMN Cc1ccc([C@H](CNC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)N2CCCC2)o1 ZINC001442881255 1066237096 /nfs/dbraw/zinc/23/70/96/1066237096.db2.gz OAJKJEZUBAAIPC-DEOSSOPVSA-N 0 1 459.590 4.527 20 0 JJADMN CCOc1ccc([C@@]2(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)CC2(Cl)Cl)cc1 ZINC001442891153 1066237983 /nfs/dbraw/zinc/23/79/83/1066237983.db2.gz XSISSGMPJSGDPW-SIKLNZKXSA-N 0 1 451.394 4.755 20 0 JJADMN CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)CCCCC1 ZINC001442900757 1066238080 /nfs/dbraw/zinc/23/80/80/1066238080.db2.gz AGDFYXTZTDTNNF-UHFFFAOYSA-N 0 1 457.615 4.732 20 0 JJADMN CCC(CC)(C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1ccc(Cl)cc1 ZINC001442927986 1066242543 /nfs/dbraw/zinc/24/25/43/1066242543.db2.gz ZUARMFNIIVDFKC-UHFFFAOYSA-N 0 1 455.002 4.788 20 0 JJADMN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc(Br)cc2nc[nH]c21 ZINC001443006819 1066252029 /nfs/dbraw/zinc/25/20/29/1066252029.db2.gz CWFJURXEEWWIKE-UHFFFAOYSA-N 0 1 451.777 4.784 20 0 JJADMN CCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC001454205568 1066254592 /nfs/dbraw/zinc/25/45/92/1066254592.db2.gz PMBDLPNGIZZHAL-WWRUEGTHSA-N 0 1 455.967 4.998 20 0 JJADMN Cc1cccc(CN2CC[C@H](NC(=O)c3c(F)ccc(C(F)(F)F)c3Br)C2)c1 ZINC001454307737 1066267616 /nfs/dbraw/zinc/26/76/16/1066267616.db2.gz CUSZXUURVWRWIL-AWEZNQCLSA-N 0 1 459.281 4.920 20 0 JJADMN CCOCCCn1c2ccccc2nc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001443124904 1066270866 /nfs/dbraw/zinc/27/08/66/1066270866.db2.gz LFWRWHWECJVHSJ-HXUWFJFHSA-N 0 1 456.537 4.559 20 0 JJADMN O=Cc1ccc(-c2ccc(C(=O)NCc3cccc(C(=O)OCc4ccccc4)c3)c(O)c2)o1 ZINC001443152780 1066274613 /nfs/dbraw/zinc/27/46/13/1066274613.db2.gz BPFOYUYRHOZZJO-UHFFFAOYSA-N 0 1 455.466 4.752 20 0 JJADMN CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1 ZINC001443357375 1066300396 /nfs/dbraw/zinc/30/03/96/1066300396.db2.gz NZJVBNNUHWIGIG-QHCPKHFHSA-N 0 1 456.030 4.538 20 0 JJADMN CN(C)C[C@H](NC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573470 1066303025 /nfs/dbraw/zinc/30/30/25/1066303025.db2.gz DSGFDXOSUPKPCR-WBAXXEDZSA-N 0 1 458.430 4.652 20 0 JJADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN[C@@H](Cc2ccccc2)C1 ZINC001454575662 1066303747 /nfs/dbraw/zinc/30/37/47/1066303747.db2.gz HQMWOMAHSYGUJC-SFHVURJKSA-N 0 1 453.995 4.619 20 0 JJADMN CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)co1 ZINC001443390329 1066305540 /nfs/dbraw/zinc/30/55/40/1066305540.db2.gz ZZGQDDZOFJXERZ-CSKARUKUSA-N 0 1 450.539 4.749 20 0 JJADMN Cc1cc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)cc(N2CCCC2)n1 ZINC001361078622 1066318564 /nfs/dbraw/zinc/31/85/64/1066318564.db2.gz WIMKMBYUGGGYOM-PGUFJCEWSA-N 0 1 494.709 4.592 20 0 JJADMN COc1ccc(C2(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)CCC2)cc1OC ZINC001443579099 1066331332 /nfs/dbraw/zinc/33/13/32/1066331332.db2.gz KQXAYGVGRYSVEH-UHFFFAOYSA-N 0 1 457.014 4.807 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001361088823 1066333333 /nfs/dbraw/zinc/33/33/33/1066333333.db2.gz LYKAQHCTDKEXRR-RXVVDRJESA-N 0 1 472.033 4.994 20 0 JJADMN CC(C)CN1Cc2cccc(NC(=O)c3cc(F)c(F)cc3I)c2C1 ZINC001546065368 1066334069 /nfs/dbraw/zinc/33/40/69/1066334069.db2.gz MTUBXRWVAFVIIC-UHFFFAOYSA-N 0 1 456.274 4.793 20 0 JJADMN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001443600199 1066335474 /nfs/dbraw/zinc/33/54/74/1066335474.db2.gz GOCBFCLLNSQNAD-NDEPHWFRSA-N 0 1 456.634 4.643 20 0 JJADMN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1n[nH]cc1C(F)(F)F ZINC001443603707 1066336322 /nfs/dbraw/zinc/33/63/22/1066336322.db2.gz KRFCLGJSFAFUMV-UHFFFAOYSA-N 0 1 456.774 4.590 20 0 JJADMN Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443630523 1066340733 /nfs/dbraw/zinc/34/07/33/1066340733.db2.gz IAULJXJOXBKZCR-UHFFFAOYSA-N 0 1 457.899 4.748 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)C)CC2)n1CCC1(C)CC1 ZINC001361091672 1066341667 /nfs/dbraw/zinc/34/16/67/1066341667.db2.gz SLJFYAIPYRWVSS-UHFFFAOYSA-N 0 1 460.066 4.972 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001454930635 1066343185 /nfs/dbraw/zinc/34/31/85/1066343185.db2.gz JRJDQZCNQVDETF-VWLOTQADSA-N 0 1 453.583 4.733 20 0 JJADMN Cc1cccc(N(C)c2nnc(-c3ccc(Br)s3)n2CCN2CCSCC2)c1 ZINC001361100128 1066349976 /nfs/dbraw/zinc/34/99/76/1066349976.db2.gz XPHGCXKPSBMPQS-UHFFFAOYSA-N 0 1 478.485 4.894 20 0 JJADMN CN(CCN1CC2(C1)CCOCC2)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC001454997409 1066350749 /nfs/dbraw/zinc/35/07/49/1066350749.db2.gz BGSKLGKYACGNPY-UHFFFAOYSA-N 0 1 450.623 4.748 20 0 JJADMN CC[C@@H](C)Oc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)n1 ZINC001455012169 1066353445 /nfs/dbraw/zinc/35/34/45/1066353445.db2.gz WJXLAAQSYJXSAK-MRXNPFEDSA-N 0 1 457.527 4.760 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001546068602 1066360137 /nfs/dbraw/zinc/36/01/37/1066360137.db2.gz SILLYVGBILBSJQ-NTKDMRAZSA-N 0 1 490.490 4.691 20 0 JJADMN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC001443865139 1066378059 /nfs/dbraw/zinc/37/80/59/1066378059.db2.gz UNPVIXMQKBBYKQ-UHFFFAOYSA-N 0 1 458.415 4.807 20 0 JJADMN CN(Cc1cscc1Br)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC001455277667 1066379441 /nfs/dbraw/zinc/37/94/41/1066379441.db2.gz CSFWJPOUHYFJLS-UHFFFAOYSA-N 0 1 455.175 4.935 20 0 JJADMN O=C(c1cc(Cl)c(Br)cc1F)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001455312927 1066382663 /nfs/dbraw/zinc/38/26/63/1066382663.db2.gz FGQHONABGMCTCW-GOSISDBHSA-N 0 1 452.686 4.892 20 0 JJADMN O=C(c1ccc(Br)c(Cl)c1F)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001455319037 1066383238 /nfs/dbraw/zinc/38/32/38/1066383238.db2.gz ZCPRUKKRIZRPJG-GOSISDBHSA-N 0 1 452.686 4.892 20 0 JJADMN COc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001443897581 1066383740 /nfs/dbraw/zinc/38/37/40/1066383740.db2.gz QNLCADOJRSFJIV-VWLOTQADSA-N 0 1 454.592 4.767 20 0 JJADMN COc1ccc(C(=O)NCC(C)(C)c2cccs2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001443973637 1066389900 /nfs/dbraw/zinc/38/99/00/1066389900.db2.gz QJGIQHQURACOJK-UHFFFAOYSA-N 0 1 458.605 4.574 20 0 JJADMN CC(C)c1cc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4)cc3)C2)n[nH]1 ZINC001455460655 1066393442 /nfs/dbraw/zinc/39/34/42/1066393442.db2.gz CTSMZIVZQMREFX-NRFANRHFSA-N 0 1 451.592 4.527 20 0 JJADMN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001455462070 1066394103 /nfs/dbraw/zinc/39/41/03/1066394103.db2.gz FRWVNCRYSYQDQL-VGSWGCGISA-N 0 1 456.587 4.514 20 0 JJADMN Cc1nc2c(cccc2CCNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)o1 ZINC001455540494 1066407736 /nfs/dbraw/zinc/40/77/36/1066407736.db2.gz JHIMMQWTDYGXDL-UHFFFAOYSA-N 0 1 455.923 4.782 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCC1(c2cccc(F)c2)CCC1 ZINC001455543392 1066408775 /nfs/dbraw/zinc/40/87/75/1066408775.db2.gz YFMFDSJGMXLJTD-UHFFFAOYSA-N 0 1 453.583 4.623 20 0 JJADMN CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@]1(C)C[C@H](O)CN1C ZINC001455580687 1066412569 /nfs/dbraw/zinc/41/25/69/1066412569.db2.gz FIJVSKYBHTZUTK-KKSFZXQISA-N 0 1 457.785 4.853 20 0 JJADMN CCCOc1ccc(C(=O)c2ccccc2C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1OCCC ZINC001455764770 1066429064 /nfs/dbraw/zinc/42/90/64/1066429064.db2.gz ZQAGIUQWHWGVBK-FCHUYYIVSA-N 0 1 464.606 4.804 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361146008 1066431096 /nfs/dbraw/zinc/43/10/96/1066431096.db2.gz OTPAWMFDQOWDNY-GOTSBHOMSA-N 0 1 495.668 4.900 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCC(C)CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361152492 1066446471 /nfs/dbraw/zinc/44/64/71/1066446471.db2.gz MMYUDDGRUIOJFZ-DHIUTWEWSA-N 0 1 469.674 4.598 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361156304 1066458201 /nfs/dbraw/zinc/45/82/01/1066458201.db2.gz SEWNOJPHAFKQFY-OYDLWJJNSA-N 0 1 469.674 4.600 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCN(CCc4cccs4)CC3)n2CCC(C)C)c1 ZINC001361161940 1066468388 /nfs/dbraw/zinc/46/83/88/1066468388.db2.gz CVXVIKRZEYAKNF-UHFFFAOYSA-N 0 1 467.683 4.946 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)o1 ZINC001361169666 1066484258 /nfs/dbraw/zinc/48/42/58/1066484258.db2.gz ITYZRBVFCOHYIO-SIKLNZKXSA-N 0 1 455.578 4.540 20 0 JJADMN O=C(CCc1cnc[nH]1)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621973 1066485161 /nfs/dbraw/zinc/48/51/61/1066485161.db2.gz ZUSWFHHPGXTDNV-IBGZPJMESA-N 0 1 450.739 4.998 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cnc(Cl)c4ccccc34)CC2)c1C ZINC001456038739 1066487042 /nfs/dbraw/zinc/48/70/42/1066487042.db2.gz NGRILBULGCVCOM-UHFFFAOYSA-N 0 1 452.986 4.645 20 0 JJADMN COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)s1 ZINC001361176656 1066494636 /nfs/dbraw/zinc/49/46/36/1066494636.db2.gz TYSTWVHWUANWAU-UHFFFAOYSA-N 0 1 458.628 4.790 20 0 JJADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001444802836 1066505497 /nfs/dbraw/zinc/50/54/97/1066505497.db2.gz ASZYHWXOQICRLK-UHFFFAOYSA-N 0 1 458.484 4.677 20 0 JJADMN COc1ccc(CN(C(=O)c2nscc2Br)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001456111322 1066511573 /nfs/dbraw/zinc/51/15/73/1066511573.db2.gz OUXXTNPDQBHSJZ-UHFFFAOYSA-N 0 1 457.353 4.946 20 0 JJADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N(C)C)c12 ZINC001445080257 1066536985 /nfs/dbraw/zinc/53/69/85/1066536985.db2.gz AGLZXSBRWWKKIA-IBGZPJMESA-N 0 1 453.999 4.691 20 0 JJADMN CCN(CC)[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215323 1066539074 /nfs/dbraw/zinc/53/90/74/1066539074.db2.gz SGNXUEWULXGIDS-RBUKOAKNSA-N 0 1 457.537 4.556 20 0 JJADMN COc1cc(C(=O)Nc2ccc3nc(CC4CCCCC4)[nH]c3c2)cc(NC(C)=O)c1OC ZINC001445233273 1066548427 /nfs/dbraw/zinc/54/84/27/1066548427.db2.gz PFRQLZAWCYTVOD-UHFFFAOYSA-N 0 1 450.539 4.914 20 0 JJADMN Cc1ccc(-c2nnc(N3CCCC3(C)C)n2C[C@H]2CN(CC(C)C)CCO2)cc1Br ZINC001361214058 1066549795 /nfs/dbraw/zinc/54/97/95/1066549795.db2.gz HRZVGBVYXCKLDL-HXUWFJFHSA-N 0 1 490.490 4.752 20 0 JJADMN Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1Br ZINC001361218634 1066555142 /nfs/dbraw/zinc/55/51/42/1066555142.db2.gz PMKRHORRNQIQMF-NRFANRHFSA-N 0 1 490.490 4.753 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 ZINC001445294364 1066555448 /nfs/dbraw/zinc/55/54/48/1066555448.db2.gz FUYGGMWMKFQDKB-GCJKJVERSA-N 0 1 450.560 4.514 20 0 JJADMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC001445328358 1066557405 /nfs/dbraw/zinc/55/74/05/1066557405.db2.gz FELOXPPAWJKOHJ-UHFFFAOYSA-N 0 1 456.543 4.958 20 0 JJADMN CCOC(=O)c1[nH]nc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1C ZINC001456339555 1066565316 /nfs/dbraw/zinc/56/53/16/1066565316.db2.gz OMDRMDWBJIHPAG-UHFFFAOYSA-N 0 1 452.540 4.510 20 0 JJADMN CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001546081606 1066566005 /nfs/dbraw/zinc/56/60/05/1066566005.db2.gz SODLGIORDNGUSA-HFZDXXHNSA-N 0 1 496.681 4.517 20 0 JJADMN CCO[C@H](CCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)C1CCCC1 ZINC001445402793 1066567756 /nfs/dbraw/zinc/56/77/56/1066567756.db2.gz JGLFLSYLPNBYHV-LJQANCHMSA-N 0 1 450.626 4.573 20 0 JJADMN O=C(C[C@@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccc(F)cc1 ZINC001545975939 1066580403 /nfs/dbraw/zinc/58/04/03/1066580403.db2.gz CQHILHJZDBCADS-KRWDZBQOSA-N 0 1 456.315 4.856 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C/C=C\c1ccc(Br)cc1 ZINC001361251140 1066598299 /nfs/dbraw/zinc/59/82/99/1066598299.db2.gz YBXGOUIGINPYQP-PLNGDYQASA-N 0 1 458.400 4.642 20 0 JJADMN CC(C)CCN1Cc2cccc(NC(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)c2C1 ZINC001361253782 1066601885 /nfs/dbraw/zinc/60/18/85/1066601885.db2.gz HTRYYRGQPNUTMD-GOSISDBHSA-N 0 1 456.384 4.875 20 0 JJADMN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361257670 1066606321 /nfs/dbraw/zinc/60/63/21/1066606321.db2.gz GDYBDFRUVBWALQ-FGZHOGPDSA-N 0 1 465.642 4.603 20 0 JJADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc(Cl)sc2Cl)CC1 ZINC001456509346 1066606303 /nfs/dbraw/zinc/60/63/03/1066606303.db2.gz UMPPXAZVDIPGST-UHFFFAOYSA-N 0 1 452.329 4.756 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361261343 1066612839 /nfs/dbraw/zinc/61/28/39/1066612839.db2.gz PQBMDRYYZXMRCS-ZRZAMGCNSA-N 0 1 495.668 4.900 20 0 JJADMN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4nc(C)[nH]c4c3)cc2)c1C(F)(F)F ZINC001445751781 1066614518 /nfs/dbraw/zinc/61/45/18/1066614518.db2.gz SGIVLWJTOWWSMK-UHFFFAOYSA-N 0 1 457.412 4.505 20 0 JJADMN Cc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)C)CC2)s1 ZINC001361268258 1066621335 /nfs/dbraw/zinc/62/13/35/1066621335.db2.gz RMIZDOHXWOYYQZ-OAQYLSRUSA-N 0 1 453.656 4.984 20 0 JJADMN CN1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccc(F)cc1 ZINC001446191974 1066673405 /nfs/dbraw/zinc/67/34/05/1066673405.db2.gz LJUVNYMYYDBLQW-IERDGZPVSA-N 0 1 451.489 4.948 20 0 JJADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC001446211963 1066674948 /nfs/dbraw/zinc/67/49/48/1066674948.db2.gz XJLWWUIPCVPZCU-UHFFFAOYSA-N 0 1 458.849 4.501 20 0 JJADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001446209182 1066675063 /nfs/dbraw/zinc/67/50/63/1066675063.db2.gz UNRRQNIKPDKYQG-UHFFFAOYSA-N 0 1 454.886 4.671 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC=C(c4ccccc4Cl)CC3)[nH]n2)C1 ZINC001446298054 1066687612 /nfs/dbraw/zinc/68/76/12/1066687612.db2.gz WFRGOTSMTMZFHZ-QGZVFWFLSA-N 0 1 456.974 4.717 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(C)(C)C)nc2)c1 ZINC001456823632 1066701742 /nfs/dbraw/zinc/70/17/42/1066701742.db2.gz BSUHMOPHCQDBAG-UHFFFAOYSA-N 0 1 453.564 4.749 20 0 JJADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446397303 1066702091 /nfs/dbraw/zinc/70/20/91/1066702091.db2.gz OUUFTTZUVLYTKQ-SECBINFHSA-N 0 1 459.291 4.821 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2Cc3cccc(Cl)c3C2)c1 ZINC001456834583 1066703431 /nfs/dbraw/zinc/70/34/31/1066703431.db2.gz YTZNWBXKHHPNCY-UHFFFAOYSA-N 0 1 456.951 4.614 20 0 JJADMN Cc1cc(C)cc(C2CCN(C(=O)c3cn[nH]c3[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001456858330 1066707446 /nfs/dbraw/zinc/70/74/46/1066707446.db2.gz PFJTUHQKCIMABN-FQEVSTJZSA-N 0 1 452.599 4.771 20 0 JJADMN O=C(c1cccc(Br)c1O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001446542782 1066718999 /nfs/dbraw/zinc/71/89/99/1066718999.db2.gz ZHYNPVMJLZHQSF-DEOSSOPVSA-N 0 1 452.348 4.631 20 0 JJADMN Cc1csc([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)C)CC2)n1 ZINC001492637290 1066723109 /nfs/dbraw/zinc/72/31/09/1066723109.db2.gz OHQUJZARQSSKRM-MRXNPFEDSA-N 0 1 476.597 4.646 20 0 JJADMN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC001492641603 1066734960 /nfs/dbraw/zinc/73/49/60/1066734960.db2.gz HOGVRQFIJKDWMR-NJDAHSKKSA-N 0 1 488.746 4.903 20 0 JJADMN O=C(Nc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1)OCC(F)(F)F ZINC001457009578 1066741062 /nfs/dbraw/zinc/74/10/62/1066741062.db2.gz BXKUONOMUIHRDK-UHFFFAOYSA-N 0 1 457.206 4.689 20 0 JJADMN CCC[C@@H]1CN(C(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC001446813967 1066743999 /nfs/dbraw/zinc/74/39/99/1066743999.db2.gz JQCMYLVUXBIQKH-QREDHFMISA-N 0 1 455.643 4.703 20 0 JJADMN Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492647708 1066752492 /nfs/dbraw/zinc/75/24/92/1066752492.db2.gz UQDSUIITDAQTRH-KDURUIRLSA-N 0 1 473.712 4.825 20 0 JJADMN COc1ccc(CN(C(=O)c2n[nH]c(C)c2Br)[C@H]2CCCC[C@H]2C)cc1OC ZINC001446882091 1066752826 /nfs/dbraw/zinc/75/28/26/1066752826.db2.gz RMEIHJUOILDNMY-CJNGLKHVSA-N 0 1 450.377 4.719 20 0 JJADMN C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446915545 1066756362 /nfs/dbraw/zinc/75/63/62/1066756362.db2.gz ZPGMKHJMKXDARE-CYBMUJFWSA-N 0 1 455.992 4.945 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001446991593 1066763438 /nfs/dbraw/zinc/76/34/38/1066763438.db2.gz XGRJROBCJAEYMR-PMACEKPBSA-N 0 1 459.635 4.738 20 0 JJADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC001545991620 1066765631 /nfs/dbraw/zinc/76/56/31/1066765631.db2.gz VHLUOUAXDQBRRM-ZDUSSCGKSA-N 0 1 456.306 4.818 20 0 JJADMN Cc1ccc(C)c(N2N=C(C(=O)Nc3cc(Cl)cc(Br)c3O)CCC2=O)c1 ZINC001447086992 1066772130 /nfs/dbraw/zinc/77/21/30/1066772130.db2.gz CDSPELSQKNKNCG-UHFFFAOYSA-N 0 1 450.720 4.546 20 0 JJADMN CN1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447103034 1066773252 /nfs/dbraw/zinc/77/32/52/1066773252.db2.gz LJQZJJUCOGLUBJ-IKVWTGGYSA-N 0 1 468.013 4.672 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3scnc3C3CC3)ccc2OC)cc1 ZINC001447289058 1066788145 /nfs/dbraw/zinc/78/81/45/1066788145.db2.gz VLYZHZRDMWXRLF-UHFFFAOYSA-N 0 1 457.577 4.645 20 0 JJADMN CN(CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)Cc1ccc(F)cc1 ZINC001457393013 1066821319 /nfs/dbraw/zinc/82/13/19/1066821319.db2.gz FBCDMMXYVVREMA-UHFFFAOYSA-N 0 1 454.977 4.796 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC(C)CC2)n1 ZINC001492686384 1066830671 /nfs/dbraw/zinc/83/06/71/1066830671.db2.gz AHJAEPCVMFHPII-BSLVTKGXSA-N 0 1 451.619 4.719 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC(C)CC2)[nH]1 ZINC001492686384 1066830684 /nfs/dbraw/zinc/83/06/84/1066830684.db2.gz AHJAEPCVMFHPII-BSLVTKGXSA-N 0 1 451.619 4.719 20 0 JJADMN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCCc3ccnc(N)c3)cc12 ZINC001457431430 1066831355 /nfs/dbraw/zinc/83/13/55/1066831355.db2.gz ZCFCXFXHJZCBFE-UHFFFAOYSA-N 0 1 453.999 4.838 20 0 JJADMN Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001492695344 1066841748 /nfs/dbraw/zinc/84/17/48/1066841748.db2.gz XSVVGVWXHDCLIA-DBXWQHBBSA-N 0 1 474.719 4.861 20 0 JJADMN CN1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3Cl)c3ccccc3)nc2)CC1 ZINC001457544588 1066857217 /nfs/dbraw/zinc/85/72/17/1066857217.db2.gz XRWGAXCBRAYNJU-QHCPKHFHSA-N 0 1 453.011 4.959 20 0 JJADMN CCOC(=O)c1cnc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c(Cl)c1 ZINC001457551285 1066858593 /nfs/dbraw/zinc/85/85/93/1066858593.db2.gz RPFNATPVPOZRHK-UHFFFAOYSA-N 0 1 456.836 4.986 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)N1CCCCC1 ZINC001457549214 1066858667 /nfs/dbraw/zinc/85/86/67/1066858667.db2.gz BRZIRCVBOHBPSB-OAQYLSRUSA-N 0 1 456.384 4.896 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001457550459 1066859221 /nfs/dbraw/zinc/85/92/21/1066859221.db2.gz CINPVPPRKXSNEW-DAYGRLMNSA-N 0 1 459.978 4.879 20 0 JJADMN CN(C(=O)c1ccc(I)cc1O)c1ccc(OCc2ccccc2)cc1 ZINC001447794184 1066859681 /nfs/dbraw/zinc/85/96/81/1066859681.db2.gz YPWGKCOTGYQUDH-UHFFFAOYSA-N 0 1 459.283 4.852 20 0 JJADMN CCN(CC)[C@H](C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797937 1066860280 /nfs/dbraw/zinc/86/02/80/1066860280.db2.gz JLARANCRCCNJHB-LNLFQRSKSA-N 0 1 454.455 4.688 20 0 JJADMN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001447805914 1066862957 /nfs/dbraw/zinc/86/29/57/1066862957.db2.gz SNCQXSAJBPGNML-AWEZNQCLSA-N 0 1 454.398 4.689 20 0 JJADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001457565242 1066863642 /nfs/dbraw/zinc/86/36/42/1066863642.db2.gz PDUDIDFGDKLSSW-UHFFFAOYSA-N 0 1 458.549 4.556 20 0 JJADMN CCN1CCc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)cc21 ZINC001457597263 1066875287 /nfs/dbraw/zinc/87/52/87/1066875287.db2.gz NHILDOSDHAGDEP-UHFFFAOYSA-N 0 1 453.539 4.570 20 0 JJADMN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC001447973479 1066886349 /nfs/dbraw/zinc/88/63/49/1066886349.db2.gz YAOUXKICYKUIFR-UHFFFAOYSA-N 0 1 458.305 4.584 20 0 JJADMN CC(C)n1cc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2n1 ZINC001457659285 1066891594 /nfs/dbraw/zinc/89/15/94/1066891594.db2.gz MQGLIPCFIJQDID-UHFFFAOYSA-N 0 1 452.511 4.809 20 0 JJADMN CN(C)[C@@H](CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072321 1066896888 /nfs/dbraw/zinc/89/68/88/1066896888.db2.gz YTTBJVSRGWEUEN-FPOVZHCZSA-N 0 1 453.892 4.661 20 0 JJADMN CN(C)[C@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC001448072483 1066896940 /nfs/dbraw/zinc/89/69/40/1066896940.db2.gz ZESLXYHWWXVNQN-MRXNPFEDSA-N 0 1 451.470 4.645 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)CCOc3ccc(Cl)cc3Br)[nH]c2c1 ZINC001448107045 1066899930 /nfs/dbraw/zinc/89/99/30/1066899930.db2.gz URDIMYDOIJJGMO-LLVKDONJSA-N 0 1 452.736 4.634 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)[nH]c2c1 ZINC001448107147 1066899980 /nfs/dbraw/zinc/89/99/80/1066899980.db2.gz VVKAITLPILSHHT-GHMZBOCLSA-N 0 1 452.736 4.632 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@](C)(CC)C3)ccc2Cl)cc1 ZINC001457704679 1066900397 /nfs/dbraw/zinc/90/03/97/1066900397.db2.gz ANNSQFLTLXJEAX-JOCHJYFZSA-N 0 1 450.988 4.802 20 0 JJADMN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(Br)cc2nc[nH]c21 ZINC001448108892 1066900471 /nfs/dbraw/zinc/90/04/71/1066900471.db2.gz IBSKQXKZSGYHNQ-NSHDSACASA-N 0 1 450.720 4.646 20 0 JJADMN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)N(C)C)C2)n1 ZINC001492731788 1066903405 /nfs/dbraw/zinc/90/34/05/1066903405.db2.gz XDGMNIRGHRBCHZ-FCHUYYIVSA-N 0 1 469.703 4.886 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@H](c2ccco2)N(C)C)n1 ZINC001492732227 1066904270 /nfs/dbraw/zinc/90/42/70/1066904270.db2.gz LQVZMUVMNYUVTL-FYYLOGMGSA-N 0 1 461.614 4.541 20 0 JJADMN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(Br)cc(Cl)c1O ZINC001457736232 1066907375 /nfs/dbraw/zinc/90/73/75/1066907375.db2.gz SGTFGJQKQDRGKG-UHFFFAOYSA-N 0 1 454.704 4.571 20 0 JJADMN O=C(NCc1ccc(I)cc1Cl)c1c(O)cc(Cl)cc1Cl ZINC001457770693 1066915311 /nfs/dbraw/zinc/91/53/11/1066915311.db2.gz PMFOVWJJJBLETG-UHFFFAOYSA-N 0 1 456.494 4.887 20 0 JJADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)C1 ZINC001448345914 1066918162 /nfs/dbraw/zinc/91/81/62/1066918162.db2.gz CYUWEDMVIAEUQI-XFQXTVEOSA-N 0 1 458.990 4.550 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(-c2ccccc2)nc1C ZINC001457785131 1066919427 /nfs/dbraw/zinc/91/94/27/1066919427.db2.gz IACBLPPOBLLXDQ-DEOSSOPVSA-N 0 1 454.574 4.910 20 0 JJADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC001457790564 1066921190 /nfs/dbraw/zinc/92/11/90/1066921190.db2.gz WSITVQCTKMRCNK-AHIWAGSCSA-N 0 1 454.402 4.647 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(C)cc(Br)c1 ZINC001457791128 1066921675 /nfs/dbraw/zinc/92/16/75/1066921675.db2.gz SWONEPWRZPOMAK-HXUWFJFHSA-N 0 1 456.384 4.610 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)c(C)c2)ccc1C ZINC001457827133 1066929282 /nfs/dbraw/zinc/92/92/82/1066929282.db2.gz VWQQBBGWNLUKLX-QGZVFWFLSA-N 0 1 456.539 4.743 20 0 JJADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCCC[C@H]1Cc1ccccc1Br ZINC001457842538 1066931466 /nfs/dbraw/zinc/93/14/66/1066931466.db2.gz XQUORZIINGLZOZ-HNNXBMFYSA-N 0 1 458.381 4.624 20 0 JJADMN O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)C(F)(F)c1ccccc1Br ZINC001448499409 1066933614 /nfs/dbraw/zinc/93/36/14/1066933614.db2.gz DGLLXCZIWCLYIT-AWEZNQCLSA-N 0 1 452.343 4.985 20 0 JJADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001448506644 1066934611 /nfs/dbraw/zinc/93/46/11/1066934611.db2.gz STENWLPWIMLMBQ-UHFFFAOYSA-N 0 1 454.615 4.635 20 0 JJADMN Cc1cc(Br)c(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cc1Br ZINC001448505520 1066934662 /nfs/dbraw/zinc/93/46/62/1066934662.db2.gz OIXOSYGIJRDLQI-UHFFFAOYSA-N 0 1 452.150 4.715 20 0 JJADMN Cc1nc(NC(=O)CC2(N3CCOCC3)CCCC2)sc1Cc1cccc(Cl)c1F ZINC001448614026 1066942024 /nfs/dbraw/zinc/94/20/24/1066942024.db2.gz JPVFOBIVBPKQSV-UHFFFAOYSA-N 0 1 451.995 4.808 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c2ccccc21 ZINC001448619166 1066943486 /nfs/dbraw/zinc/94/34/86/1066943486.db2.gz JSJVQKDTDXDXQW-HNNXBMFYSA-N 0 1 451.502 4.868 20 0 JJADMN Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@H](c1ccsc1)N(C)C ZINC001492775971 1066946663 /nfs/dbraw/zinc/94/66/63/1066946663.db2.gz NLNBNWSPOCDNOG-RTBURBONSA-N 0 1 466.424 4.860 20 0 JJADMN CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccsc2)N(C)C)CCO1 ZINC001546095548 1066950705 /nfs/dbraw/zinc/95/07/05/1066950705.db2.gz OVWFSEVGMBZDPY-RCZVLFRGSA-N 0 1 453.656 4.547 20 0 JJADMN Cc1c(Br)ccc(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)c1F ZINC001448734630 1066954613 /nfs/dbraw/zinc/95/46/13/1066954613.db2.gz IHVVKIGLIVDTPK-UHFFFAOYSA-N 0 1 454.771 4.701 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)(C)C3CC3)ccc2Cl)cc1 ZINC001458029545 1066958470 /nfs/dbraw/zinc/95/84/70/1066958470.db2.gz WJOXGFBFPPMWMA-UHFFFAOYSA-N 0 1 450.988 4.706 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)[nH]n2)c1C ZINC001448869028 1066966031 /nfs/dbraw/zinc/96/60/31/1066966031.db2.gz QIEQQODYXNASAK-CALCHBBNSA-N 0 1 450.587 4.556 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)[nH]n2)cc1OC ZINC001448999642 1066976288 /nfs/dbraw/zinc/97/62/88/1066976288.db2.gz LWJWRVPFDMXXTP-UHFFFAOYSA-N 0 1 459.890 4.657 20 0 JJADMN CC[C@H](c1nnc(N(C)Cc2nccs2)n1C[C@@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545724433 1066981192 /nfs/dbraw/zinc/98/11/92/1066981192.db2.gz QGSQSCVAHLDIOP-PMACEKPBSA-N 0 1 450.612 4.809 20 0 JJADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC001458146592 1066987996 /nfs/dbraw/zinc/98/79/96/1066987996.db2.gz XHBMBSHATWPSMX-UHFFFAOYSA-N 0 1 459.449 4.808 20 0 JJADMN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449261742 1066993281 /nfs/dbraw/zinc/99/32/81/1066993281.db2.gz QGQAZHKNSHKTPL-DYESRHJHSA-N 0 1 459.775 4.524 20 0 JJADMN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449261755 1066993719 /nfs/dbraw/zinc/99/37/19/1066993719.db2.gz QGQAZHKNSHKTPL-UWJYYQICSA-N 0 1 459.775 4.524 20 0 JJADMN CC[C@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741796 1067008445 /nfs/dbraw/zinc/00/84/45/1067008445.db2.gz WQKXAXMXDZDAMM-ZVDOUQERSA-N 0 1 461.601 4.553 20 0 JJADMN COCC[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1cccc(C(F)(F)F)c1 ZINC001449572546 1067015211 /nfs/dbraw/zinc/01/52/11/1067015211.db2.gz CSZKAOMTZZTISH-HNNXBMFYSA-N 0 1 456.262 4.852 20 0 JJADMN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2ccc(CN3CCCCC3)o2)CC1 ZINC001449580889 1067015565 /nfs/dbraw/zinc/01/55/65/1067015565.db2.gz IBNXRHDHUDMTFX-QFIPXVFZSA-N 0 1 459.631 4.763 20 0 JJADMN CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@H](C)C1)N1CCOCC1 ZINC001545751736 1067025732 /nfs/dbraw/zinc/02/57/32/1067025732.db2.gz KMHXEPFTBYDOHT-DNRSQYFGSA-N 0 1 483.701 4.572 20 0 JJADMN CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756169 1067033028 /nfs/dbraw/zinc/03/30/28/1067033028.db2.gz BVLARBUGOKJNGS-GMAHTHKFSA-N 0 1 484.689 4.511 20 0 JJADMN CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449910352 1067037160 /nfs/dbraw/zinc/03/71/60/1067037160.db2.gz JYFAVOZUINIPRH-QFIPXVFZSA-N 0 1 457.412 4.918 20 0 JJADMN CC[C@@H](C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)OC ZINC001449917186 1067037190 /nfs/dbraw/zinc/03/71/90/1067037190.db2.gz ONOYJVFRFUUAMZ-ACJLOTCBSA-N 0 1 459.395 4.585 20 0 JJADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001449978943 1067039834 /nfs/dbraw/zinc/03/98/34/1067039834.db2.gz WQTOOKNYFIZJDI-CYBMUJFWSA-N 0 1 454.379 4.643 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758896 1067040620 /nfs/dbraw/zinc/04/06/20/1067040620.db2.gz OWNXEHMENKMAFU-RBBKRZOGSA-N 0 1 484.689 4.654 20 0 JJADMN O=C(NC[C@H]1CCCCN1CCO)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021666 1067042458 /nfs/dbraw/zinc/04/24/58/1067042458.db2.gz OMVSJAILOYNOCK-WIYYLYMNSA-N 0 1 453.435 4.790 20 0 JJADMN CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545761838 1067045920 /nfs/dbraw/zinc/04/59/20/1067045920.db2.gz XQWOQSZSBVWQHA-AOHZBQACSA-N 0 1 465.642 4.967 20 0 JJADMN O=C(CCCOc1ccccc1Br)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001450073657 1067047105 /nfs/dbraw/zinc/04/71/05/1067047105.db2.gz JYCKIHBXURIBJH-UHFFFAOYSA-N 0 1 452.312 4.580 20 0 JJADMN 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CC(C)([C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458839789 1067166141 /nfs/dbraw/zinc/16/61/41/1067166141.db2.gz UQSIDAREIZNYAZ-URXFXBBRSA-N 0 1 458.549 4.868 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1CCN1CCc2ccccc2C1 ZINC001545825932 1067172267 /nfs/dbraw/zinc/17/22/67/1067172267.db2.gz AMXVSQNSTNCMQD-LJQANCHMSA-N 0 1 480.682 4.514 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CSc3nc(C=Cc4ccccc4)n[nH]3)C2)CC1 ZINC001458904171 1067191440 /nfs/dbraw/zinc/19/14/40/1067191440.db2.gz RARGTAZZENXEJF-VJIACCKLSA-N 0 1 456.612 4.873 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CSc3nc(C=Cc4ccccc4)n[nH]3)C2)CC1 ZINC001458904169 1067191457 /nfs/dbraw/zinc/19/14/57/1067191457.db2.gz RARGTAZZENXEJF-JBVUFVISSA-N 0 1 456.612 4.873 20 0 JJADMN O=C(c1cc(F)c(Br)cc1F)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC001451918776 1067197934 /nfs/dbraw/zinc/19/79/34/1067197934.db2.gz JVFIUMAWBADCQM-GOSISDBHSA-N 0 1 452.686 4.892 20 0 JJADMN 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CCCN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1Br ZINC001459383381 1067309041 /nfs/dbraw/zinc/30/90/41/1067309041.db2.gz RVYCILCCKKNMFB-UHFFFAOYSA-N 0 1 458.400 4.582 20 0 JJADMN CC(C)c1ccc(-c2nc(C(=O)NN3Cc4ccc(Br)cc4C3=O)cs2)cc1 ZINC001453623029 1067319481 /nfs/dbraw/zinc/31/94/81/1067319481.db2.gz WTLSVTVRPRAPSW-UHFFFAOYSA-N 0 1 456.365 4.997 20 0 JJADMN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459460746 1067329455 /nfs/dbraw/zinc/32/94/55/1067329455.db2.gz ZTXXCHOAGIKUIS-UHFFFAOYSA-N 0 1 456.493 4.682 20 0 JJADMN CCS[C@@H]1CCCCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001459461399 1067329845 /nfs/dbraw/zinc/32/98/45/1067329845.db2.gz DDUVHAHMTLFVDB-NOZRDPDXSA-N 0 1 451.636 4.981 20 0 JJADMN CCS[C@H]1CCCCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001459461451 1067329931 /nfs/dbraw/zinc/32/99/31/1067329931.db2.gz DDUVHAHMTLFVDB-ZCYQVOJMSA-N 0 1 451.636 4.981 20 0 JJADMN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001453877185 1067333651 /nfs/dbraw/zinc/33/36/51/1067333651.db2.gz HOPONCBSMWPLCB-VXKWHMMOSA-N 0 1 470.978 4.768 20 0 JJADMN C[C@@H]1CN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001459489203 1067337195 /nfs/dbraw/zinc/33/71/95/1067337195.db2.gz OTEIUNMTSRLEGU-PWHSHALESA-N 0 1 457.640 4.674 20 0 JJADMN CC[C@@H](c1ccc(F)cc1F)N1CCN(CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC001459498171 1067339061 /nfs/dbraw/zinc/33/90/61/1067339061.db2.gz VFGFHRYXGNOPLX-NRFANRHFSA-N 0 1 451.945 4.724 20 0 JJADMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561072 1067351705 /nfs/dbraw/zinc/35/17/05/1067351705.db2.gz CEYSZFLXEUSPCS-GGAORHGYSA-N 0 1 456.428 4.507 20 0 JJADMN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C[C@H](O)c1cc(Br)no1)CCO2 ZINC001459566559 1067353540 /nfs/dbraw/zinc/35/35/40/1067353540.db2.gz AYOBKBHWWHKRFZ-MOPGFXCFSA-N 0 1 459.340 4.505 20 0 JJADMN CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC001459580521 1067356484 /nfs/dbraw/zinc/35/64/84/1067356484.db2.gz DMBJAIZLIJIKAV-WBVHZDCISA-N 0 1 457.434 4.554 20 0 JJADMN CCOC(=O)c1c(NC(=O)CN(C)C[C@@H]2CCCOC2)sc(Cl)c1-c1ccccc1 ZINC001459602911 1067360618 /nfs/dbraw/zinc/36/06/18/1067360618.db2.gz VNXGTAXKSWSFJQ-HNNXBMFYSA-N 0 1 450.988 4.542 20 0 JJADMN Cc1cc(NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611894 1067363509 /nfs/dbraw/zinc/36/35/09/1067363509.db2.gz YTSTVFXNNKGQGR-RTWAWAEBSA-N 0 1 456.587 4.688 20 0 JJADMN CC[C@@H]1CN([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@@H]1c1ccccc1 ZINC001459624078 1067366823 /nfs/dbraw/zinc/36/68/23/1067366823.db2.gz CKWBHBDGVZOWRB-QKLQHJQFSA-N 0 1 459.512 4.895 20 0 JJADMN CC[C@@H]1CN(Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC001459627874 1067367815 /nfs/dbraw/zinc/36/78/15/1067367815.db2.gz PPVUYANZXZJFEY-DENIHFKCSA-N 0 1 454.640 4.609 20 0 JJADMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC001459628492 1067368392 /nfs/dbraw/zinc/36/83/92/1067368392.db2.gz GSWQTQJRMARAIA-UNMCSNQZSA-N 0 1 457.574 4.839 20 0 JJADMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC001459628487 1067368544 /nfs/dbraw/zinc/36/85/44/1067368544.db2.gz GSWQTQJRMARAIA-RBBKRZOGSA-N 0 1 457.574 4.839 20 0 JJADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(CCc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 ZINC001459661120 1067374623 /nfs/dbraw/zinc/37/46/23/1067374623.db2.gz DFOZFMGUISEQAM-HXUWFJFHSA-N 0 1 458.002 4.886 20 0 JJADMN C[C@H](N[C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668598 1067378006 /nfs/dbraw/zinc/37/80/06/1067378006.db2.gz LMHNHUNRUGSEMH-AVRDEDQJSA-N 0 1 459.575 4.555 20 0 JJADMN C[C@H](NC(=O)[C@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1)c1cccc2ccccc21 ZINC001459675956 1067380930 /nfs/dbraw/zinc/38/09/30/1067380930.db2.gz FRYZFMPNVZDIJJ-PMACEKPBSA-N 0 1 450.627 4.502 20 0 JJADMN O=C(NC[C@@H]1CCCCN1CCOc1cc(F)cc(Br)c1)Nc1ccccc1 ZINC001459695117 1067386479 /nfs/dbraw/zinc/38/64/79/1067386479.db2.gz RWPMJXLHRNFERM-IBGZPJMESA-N 0 1 450.352 4.643 20 0 JJADMN O=C(NC[C@H]1CCCCN1CCOc1cc(F)cc(Br)c1)Nc1ccccc1 ZINC001459695118 1067386636 /nfs/dbraw/zinc/38/66/36/1067386636.db2.gz RWPMJXLHRNFERM-LJQANCHMSA-N 0 1 450.352 4.643 20 0 JJADMN Cc1cccc(CN(Cc2ccccn2)C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)c1 ZINC001459707478 1067389604 /nfs/dbraw/zinc/38/96/04/1067389604.db2.gz ORXWJJFZXUTRRR-MUUNZHRXSA-N 0 1 459.590 4.556 20 0 JJADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001459707948 1067390526 /nfs/dbraw/zinc/39/05/26/1067390526.db2.gz DCMQGBFCPSGHDD-HNNXBMFYSA-N 0 1 454.514 4.639 20 0 JJADMN Cc1ccc(Oc2ccc(OCC(=O)N3CCC(CCCN4CCOCC4)CC3)cc2)cc1 ZINC001546111339 1067391981 /nfs/dbraw/zinc/39/19/81/1067391981.db2.gz FTJJDVRMKMFILO-UHFFFAOYSA-N 0 1 452.595 4.517 20 0 JJADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716645 1067393785 /nfs/dbraw/zinc/39/37/85/1067393785.db2.gz UNRZQXLMZBHWBJ-QAPCUYQASA-N 0 1 458.484 4.553 20 0 JJADMN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001459716512 1067394188 /nfs/dbraw/zinc/39/41/88/1067394188.db2.gz MAUJKPIVOOZEIS-UHFFFAOYSA-N 0 1 459.949 4.727 20 0 JJADMN Cc1noc(C)c1N(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001459740601 1067401538 /nfs/dbraw/zinc/40/15/38/1067401538.db2.gz KDEWLFWSOVUWOS-FQEVSTJZSA-N 0 1 457.456 4.529 20 0 JJADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc(OC)ncc2Br)[C@H]2CCCC[C@@H]12 ZINC001459758291 1067409925 /nfs/dbraw/zinc/40/99/25/1067409925.db2.gz YBXVDAKBOUOTCS-FVMPEHLCSA-N 0 1 452.437 4.537 20 0 JJADMN CN(CCC1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459772629 1067416114 /nfs/dbraw/zinc/41/61/14/1067416114.db2.gz DTTUOJPICLANMW-HXUWFJFHSA-N 0 1 453.986 4.553 20 0 JJADMN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843961 1067450567 /nfs/dbraw/zinc/45/05/67/1067450567.db2.gz YVADTEZDBSFYFJ-KKSFZXQISA-N 0 1 458.400 4.871 20 0 JJADMN COc1ccc(Cl)cc1[C@H](CC(C)C)NCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC001459845109 1067451194 /nfs/dbraw/zinc/45/11/94/1067451194.db2.gz QPXYPBNPOLLEGH-QHCPKHFHSA-N 0 1 459.030 4.890 20 0 JJADMN O=C(CCN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC001459845859 1067451506 /nfs/dbraw/zinc/45/15/06/1067451506.db2.gz CRXBOHJGCISOHV-IBGZPJMESA-N 0 1 453.892 4.641 20 0 JJADMN COc1cc([C@@H](C)NCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC001459847260 1067452488 /nfs/dbraw/zinc/45/24/88/1067452488.db2.gz NGPNXBYTWOCGEQ-HXUWFJFHSA-N 0 1 454.611 4.543 20 0 JJADMN COc1cc([C@H](C)NCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC001459847258 1067452541 /nfs/dbraw/zinc/45/25/41/1067452541.db2.gz NGPNXBYTWOCGEQ-FQEVSTJZSA-N 0 1 454.611 4.543 20 0 JJADMN Cc1oc(NC(=O)CN[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)c2c1c(C)n[nH]c2=O ZINC001459852034 1067457116 /nfs/dbraw/zinc/45/71/16/1067457116.db2.gz AATASNVCMHZLDE-MRXNPFEDSA-N 0 1 450.461 4.880 20 0 JJADMN CC[C@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1OC(F)F ZINC001459854235 1067458644 /nfs/dbraw/zinc/45/86/44/1067458644.db2.gz RSQXFZWIMMAPGL-HNNXBMFYSA-N 0 1 452.523 4.694 20 0 JJADMN Cc1cc(CN2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864756 1067463594 /nfs/dbraw/zinc/46/35/94/1067463594.db2.gz USPGISHZTMQUMX-JKSUJKDBSA-N 0 1 458.384 4.643 20 0 JJADMN OC1(Cc2ccc(OC(F)(F)F)cc2)CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC001459866201 1067464098 /nfs/dbraw/zinc/46/40/98/1067464098.db2.gz QAQYJICBFFYUCT-UHFFFAOYSA-N 0 1 450.432 4.949 20 0 JJADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCC(c2ccccn2)CC1 ZINC001459877202 1067469765 /nfs/dbraw/zinc/46/97/65/1067469765.db2.gz RZLXMKUJAPJSOP-OAQYLSRUSA-N 0 1 456.590 4.733 20 0 JJADMN CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546112589 1067480885 /nfs/dbraw/zinc/48/08/85/1067480885.db2.gz XFVQGKDFZNCSFM-OYRHEFFESA-N 0 1 473.637 4.512 20 0 JJADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC001459905523 1067482619 /nfs/dbraw/zinc/48/26/19/1067482619.db2.gz RBJTXEFYVNJLSA-ZFWWWQNUSA-N 0 1 456.999 4.809 20 0 JJADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459906653 1067483649 /nfs/dbraw/zinc/48/36/49/1067483649.db2.gz VWKVYQCVSFKDLE-YCRPNKLZSA-N 0 1 457.546 4.647 20 0 JJADMN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1 ZINC001459957987 1067507239 /nfs/dbraw/zinc/50/72/39/1067507239.db2.gz KBALPFXBUPGNSA-FQEVSTJZSA-N 0 1 450.604 4.603 20 0 JJADMN Cc1cc(NC(=O)CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)n(C(C)(C)C)n1 ZINC001459993631 1067518834 /nfs/dbraw/zinc/51/88/34/1067518834.db2.gz RACHFKOYNWAYAR-SFHVURJKSA-N 0 1 451.384 4.918 20 0 JJADMN C[C@@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999651 1067521468 /nfs/dbraw/zinc/52/14/68/1067521468.db2.gz SQENNBWDQPEOEN-PEBXRYMYSA-N 0 1 458.375 4.858 20 0 JJADMN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460031229 1067534511 /nfs/dbraw/zinc/53/45/11/1067534511.db2.gz YOWNHLUXZVHYIS-MAUKXSAKSA-N 0 1 450.270 4.920 20 0 JJADMN O=C(CN1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1)NCCCN1CCCCCC1=O ZINC001460052139 1067539738 /nfs/dbraw/zinc/53/97/38/1067539738.db2.gz KQDRNBFQXAFIJA-NRFANRHFSA-N 0 1 453.549 4.531 20 0 JJADMN C[C@H](NC(=O)CN(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC001460063467 1067543392 /nfs/dbraw/zinc/54/33/92/1067543392.db2.gz HTHGVOXOYYDOQR-INIZCTEOSA-N 0 1 454.464 4.583 20 0 JJADMN OC[C@H]1C=C[C@@H](N(Cc2cccs2)Cc2ccc(I)c(Cl)c2)C1 ZINC001460066950 1067544601 /nfs/dbraw/zinc/54/46/01/1067544601.db2.gz VKNZZBRKZDPJJU-LSDHHAIUSA-N 0 1 459.780 4.945 20 0 JJADMN CCCc1nc(C)c(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)s1 ZINC001460095421 1067553555 /nfs/dbraw/zinc/55/35/55/1067553555.db2.gz VBFHWSALDIUVIN-ZDUSSCGKSA-N 0 1 451.434 4.559 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110508 1067557016 /nfs/dbraw/zinc/55/70/16/1067557016.db2.gz PKKGVOUUVRHCSJ-DLBZAZTESA-N 0 1 455.521 4.613 20 0 JJADMN Cc1cc(CN2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1Br ZINC001460116787 1067558674 /nfs/dbraw/zinc/55/86/74/1067558674.db2.gz XGRTXHWSSQSWAU-UXHICEINSA-N 0 1 453.421 4.652 20 0 JJADMN CC[C@@H]1CN(CC)CCN1CC(=O)N(Cc1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC001460136374 1067562510 /nfs/dbraw/zinc/56/25/10/1067562510.db2.gz AMOUZXWZTFHEQJ-JOCHJYFZSA-N 0 1 450.652 4.862 20 0 JJADMN O[C@H](COc1ccccc1C(F)(F)F)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139436 1067563193 /nfs/dbraw/zinc/56/31/93/1067563193.db2.gz HZWCGJMSSXTOOT-ZDUSSCGKSA-N 0 1 454.436 4.800 20 0 JJADMN CCc1ccc([C@@H]2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC001460165445 1067568416 /nfs/dbraw/zinc/56/84/16/1067568416.db2.gz KPOFOABNZBHBSQ-RUZDIDTESA-N 0 1 455.602 4.915 20 0 JJADMN COC(=O)c1ccc(CN[C@H](C)c2ccc(Br)cc2OCCCO)cc1Cl ZINC001460172286 1067569736 /nfs/dbraw/zinc/56/97/36/1067569736.db2.gz NROUIAZBVGPFKZ-CYBMUJFWSA-N 0 1 456.764 4.501 20 0 JJADMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)cc1Cl ZINC001460172292 1067570088 /nfs/dbraw/zinc/57/00/88/1067570088.db2.gz NROUIAZBVGPFKZ-ZDUSSCGKSA-N 0 1 456.764 4.501 20 0 JJADMN Cc1cccc(Oc2ccc(NC(=O)CN[C@@H](C)c3ccc(N4CCCNC4=O)cc3)cc2)c1 ZINC001460182478 1067573021 /nfs/dbraw/zinc/57/30/21/1067573021.db2.gz RKOLNFPMYZCVDJ-FQEVSTJZSA-N 0 1 458.562 4.996 20 0 JJADMN C[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC001460183782 1067573800 /nfs/dbraw/zinc/57/38/00/1067573800.db2.gz VUBWWFNUTIWMGR-LBPRGKRZSA-N 0 1 455.773 4.856 20 0 JJADMN O=C1[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CCN1c1cccc(Br)c1 ZINC001460184154 1067573932 /nfs/dbraw/zinc/57/39/32/1067573932.db2.gz IVVHHTXCPAHKKR-XPWALMASSA-N 0 1 451.364 4.619 20 0 JJADMN COc1cccc(-c2nnc(CN3CCCC[C@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217062 1067581799 /nfs/dbraw/zinc/58/17/99/1067581799.db2.gz WYFFXUTWSBSHNO-CTNGQTDRSA-N 0 1 456.587 4.747 20 0 JJADMN CC(C)OCc1ccc(CNC(=O)CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001460218143 1067582373 /nfs/dbraw/zinc/58/23/73/1067582373.db2.gz XKSGZKWPXPMCPR-QHCPKHFHSA-N 0 1 455.002 4.985 20 0 JJADMN COC(=O)[C@@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001460221452 1067583131 /nfs/dbraw/zinc/58/31/31/1067583131.db2.gz KICSRKLTVSFZBZ-GVAUOCQISA-N 0 1 452.957 4.951 20 0 JJADMN C[C@H](NC(=O)CN1CCC(Cc2cccc(F)c2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460228641 1067584677 /nfs/dbraw/zinc/58/46/77/1067584677.db2.gz CGNKDDWIUGPDBY-HNNXBMFYSA-N 0 1 456.455 4.995 20 0 JJADMN C[C@H](NC(=O)CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460237191 1067587383 /nfs/dbraw/zinc/58/73/83/1067587383.db2.gz XPISVFNGOXDSGZ-HNNXBMFYSA-N 0 1 456.455 4.995 20 0 JJADMN Cc1ccc2c(CN3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)cc(=O)oc2c1 ZINC001460242210 1067589533 /nfs/dbraw/zinc/58/95/33/1067589533.db2.gz RVCDVVAQWIHART-RBBKRZOGSA-N 0 1 452.526 4.733 20 0 JJADMN Cc1ccc(C)c(-c2cc(NC(=O)CN3CCN(C)[C@H](C(C)(C)C)C3)n(-c3ccccc3)n2)c1 ZINC001460326730 1067608835 /nfs/dbraw/zinc/60/88/35/1067608835.db2.gz CITSLGUVLKNUKB-VWLOTQADSA-N 0 1 459.638 4.757 20 0 JJADMN FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1CN1CCN(c2ccc(Br)cc2)CC1 ZINC001460355056 1067615300 /nfs/dbraw/zinc/61/53/00/1067615300.db2.gz GQSUQFDXVPAVEP-OXJNMPFZSA-N 0 1 455.318 4.753 20 0 JJADMN COC(=O)c1ccc(-c2nc(CN[C@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)co2)cc1 ZINC001460370264 1067620581 /nfs/dbraw/zinc/62/05/81/1067620581.db2.gz UIAUBHJOGXYPFU-FQEVSTJZSA-N 0 1 455.555 4.540 20 0 JJADMN COc1ccc(NC(=O)CN2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC001460373432 1067620886 /nfs/dbraw/zinc/62/08/86/1067620886.db2.gz PFDYVCLEODOYBV-JOCHJYFZSA-N 0 1 452.473 4.638 20 0 JJADMN Cc1cc(Br)cc(C)c1NC(=O)CCCN(C)CC(=O)N(C)C1CCCCC1 ZINC001460404798 1067627622 /nfs/dbraw/zinc/62/76/22/1067627622.db2.gz JJNMCCYDTVUJRT-UHFFFAOYSA-N 0 1 452.437 4.508 20 0 JJADMN Ic1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC001460452098 1067637139 /nfs/dbraw/zinc/63/71/39/1067637139.db2.gz KRTFPEDMQDZFDD-VQIMIIECSA-N 0 1 452.336 4.727 20 0 JJADMN O=c1cc(CNC2(c3ccc(C(F)(F)F)cc3)CCC2)nc2ccc(Br)cn12 ZINC001460485834 1067643699 /nfs/dbraw/zinc/64/36/99/1067643699.db2.gz BRDKXJOAQNSQLI-UHFFFAOYSA-N 0 1 452.274 4.645 20 0 JJADMN O=C(CNC1(c2ccc(C(F)(F)F)cc2)CCC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001460490104 1067644722 /nfs/dbraw/zinc/64/47/22/1067644722.db2.gz YUTBNJSYFDNTOY-UHFFFAOYSA-N 0 1 459.512 4.985 20 0 JJADMN CCOC(=O)C1=C(CN[C@@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600642 1067667121 /nfs/dbraw/zinc/66/71/21/1067667121.db2.gz FUWYTBJGFLCVKY-QPPBQGQZSA-N 0 1 459.949 4.565 20 0 JJADMN Cc1cc(Br)c(NC(=O)CN[C@@H]2CCO[C@H]2c2ccccc2)c(Br)c1 ZINC001460619603 1067674543 /nfs/dbraw/zinc/67/45/43/1067674543.db2.gz IPSCOUYFVGETNX-APWZRJJASA-N 0 1 468.189 4.578 20 0 JJADMN O=C(CN[C@H](CCO)c1ccc(Cl)c(F)c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001460627940 1067678006 /nfs/dbraw/zinc/67/80/06/1067678006.db2.gz WRQOULVJYQWPTJ-HXUWFJFHSA-N 0 1 458.883 4.702 20 0 JJADMN CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660377 1067691898 /nfs/dbraw/zinc/69/18/98/1067691898.db2.gz OBEOREKKOYVINF-DEOSSOPVSA-N 0 1 457.574 4.826 20 0 JJADMN Cc1ccc([C@H]2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697462 1067703920 /nfs/dbraw/zinc/70/39/20/1067703920.db2.gz OZUKFHUQKZHWMT-WIYYLYMNSA-N 0 1 459.512 4.869 20 0 JJADMN C[C@@H](N[C@@H]1CCOc2ccc(Br)cc21)C(=O)Nc1ccc(Br)cc1 ZINC001460747556 1067714882 /nfs/dbraw/zinc/71/48/82/1067714882.db2.gz JNBNFUZQOGPBGV-BDJLRTHQSA-N 0 1 454.162 4.652 20 0 JJADMN CCO[C@@H](C)c1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC001460758546 1067717981 /nfs/dbraw/zinc/71/79/81/1067717981.db2.gz AORSXTLYGVGYFO-BULFRSBZSA-N 0 1 453.583 4.778 20 0 JJADMN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(OCC(F)(F)F)o1 ZINC001460759220 1067718500 /nfs/dbraw/zinc/71/85/00/1067718500.db2.gz FBDXWILNGPPYDB-VQTJNVASSA-N 0 1 462.443 4.758 20 0 JJADMN C[C@@H]1CN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774645 1067721193 /nfs/dbraw/zinc/72/11/93/1067721193.db2.gz JYOPWKWLODVATO-WOJBJXKFSA-N 0 1 453.583 4.900 20 0 JJADMN COc1ccc(CCNC(=O)[C@@H](C)N[C@@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801829 1067727021 /nfs/dbraw/zinc/72/70/21/1067727021.db2.gz BCSOXUWRBLHFRG-LSDHHAIUSA-N 0 1 456.530 4.714 20 0 JJADMN COC(=O)c1ccc2[nH]cc(C3CCN(CC(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c2c1 ZINC001460815806 1067728689 /nfs/dbraw/zinc/72/86/89/1067728689.db2.gz SUXLYZQFALEEDU-UHFFFAOYSA-N 0 1 459.468 4.791 20 0 JJADMN Cc1cc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)ccc1NC(=O)c1cccs1 ZINC001460855522 1067735642 /nfs/dbraw/zinc/73/56/42/1067735642.db2.gz NQONJNUHSATLEN-UHFFFAOYSA-N 0 1 453.530 4.798 20 0 JJADMN C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460878920 1067740796 /nfs/dbraw/zinc/74/07/96/1067740796.db2.gz HQQJGBBCZMEFGO-VCBZYWHSSA-N 0 1 456.414 4.581 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C[C@@H]2C1 ZINC001460881468 1067741822 /nfs/dbraw/zinc/74/18/22/1067741822.db2.gz CKBWJEKMJOLHEF-ZIAGYGMSSA-N 0 1 453.370 4.732 20 0 JJADMN CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460884258 1067742199 /nfs/dbraw/zinc/74/21/99/1067742199.db2.gz YDRXPJYCARGRGC-OAHLLOKOSA-N 0 1 450.377 4.841 20 0 JJADMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](c2ncccc2C)C(C)(C)C)cc1 ZINC001460911280 1067746927 /nfs/dbraw/zinc/74/69/27/1067746927.db2.gz UPIPZYCSVJFERZ-SANMLTNESA-N 0 1 458.606 4.944 20 0 JJADMN Cc1sc2nc(CN3CCC4(CCC[C@H]4CNC(=O)OC(C)(C)C)CC3)nc(N)c2c1C ZINC001460972887 1067755087 /nfs/dbraw/zinc/75/50/87/1067755087.db2.gz BYXXGNZPRZFKHH-KRWDZBQOSA-N 0 1 459.660 4.797 20 0 JJADMN O=c1cc(CN2CCC(OCc3ccc(Br)cc3)CC2)nc(-c2ccccc2)[nH]1 ZINC001460974689 1067755193 /nfs/dbraw/zinc/75/51/93/1067755193.db2.gz ORGVLWJILWSCNC-UHFFFAOYSA-N 0 1 454.368 4.793 20 0 JJADMN CCN(CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989545 1067758574 /nfs/dbraw/zinc/75/85/74/1067758574.db2.gz XFRNZAAALKQSTF-LJQANCHMSA-N 0 1 458.430 4.673 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1CC2(CCN(CC3(Br)CC3)CC2)Oc2ccccc21 ZINC001460996407 1067759867 /nfs/dbraw/zinc/75/98/67/1067759867.db2.gz ZIYHBBISTQHEIU-KRWDZBQOSA-N 0 1 451.405 4.797 20 0 JJADMN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNC[C@H](O)COc1ccccc1 ZINC001461019219 1067762911 /nfs/dbraw/zinc/76/29/11/1067762911.db2.gz NWDJYHTVKVNZFQ-KRWDZBQOSA-N 0 1 454.785 4.730 20 0 JJADMN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNCCN1CCN(c2ccccc2)CC1 ZINC001461026634 1067764837 /nfs/dbraw/zinc/76/48/37/1067764837.db2.gz WVGDXZJNZUUPOV-UHFFFAOYSA-N 0 1 452.046 4.735 20 0 JJADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCN1CCN(c2ccc(F)cc2)CC1 ZINC001461036054 1067766552 /nfs/dbraw/zinc/76/65/52/1067766552.db2.gz RZMUMLJEJSROCV-UHFFFAOYSA-N 0 1 456.009 4.700 20 0 JJADMN Nc1c(Br)cc(Br)cc1CNCc1ccnc(OC2CCCC2)c1 ZINC001461038454 1067767382 /nfs/dbraw/zinc/76/73/82/1067767382.db2.gz IKLSAPSAVMUNAQ-UHFFFAOYSA-N 0 1 455.194 4.800 20 0 JJADMN C[C@H]1CN([C@H](CNCc2c(F)cccc2Br)c2c(F)cccc2Cl)CCO1 ZINC001461050633 1067769829 /nfs/dbraw/zinc/76/98/29/1067769829.db2.gz LVIYVQREYRULPH-ORAYPTAESA-N 0 1 459.762 4.932 20 0 JJADMN CCOc1cc(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c(F)cc1OC ZINC001461053037 1067770705 /nfs/dbraw/zinc/77/07/05/1067770705.db2.gz YHPRMHLZQXEJPL-YWZLYKJASA-N 0 1 454.945 4.577 20 0 JJADMN CC(C)(C)OC(=O)NCCc1ccc(CNCc2cnn(Cc3ccccc3Cl)c2)cc1 ZINC001461128949 1067786991 /nfs/dbraw/zinc/78/69/91/1067786991.db2.gz OSTFGABQDFTDIT-UHFFFAOYSA-N 0 1 455.002 4.942 20 0 JJADMN CCCC[C@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461132980 1067787466 /nfs/dbraw/zinc/78/74/66/1067787466.db2.gz SNSKEYVDPXOPNI-QHCPKHFHSA-N 0 1 450.558 4.967 20 0 JJADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1nc2cc(Br)ccc2o1 ZINC001461144774 1067788579 /nfs/dbraw/zinc/78/85/79/1067788579.db2.gz UTQGOTKUAHMCLZ-HNNXBMFYSA-N 0 1 457.372 4.697 20 0 JJADMN C[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001461154628 1067790301 /nfs/dbraw/zinc/79/03/01/1067790301.db2.gz OCKARBAHOZDWFV-NSHDSACASA-N 0 1 452.292 4.602 20 0 JJADMN CC[C@H](C)[C@H](NCc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181120 1067794010 /nfs/dbraw/zinc/79/40/10/1067794010.db2.gz JVJPOIPMWSYHSB-MBSDFSHPSA-N 0 1 458.444 4.830 20 0 JJADMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001461225136 1067803957 /nfs/dbraw/zinc/80/39/57/1067803957.db2.gz MLDUXNVDNAAPSH-UGKGYDQZSA-N 0 1 457.571 4.558 20 0 JJADMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001461225133 1067804008 /nfs/dbraw/zinc/80/40/08/1067804008.db2.gz MLDUXNVDNAAPSH-DENIHFKCSA-N 0 1 457.571 4.558 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Br)sc1Br)C1CC1 ZINC001461237216 1067806824 /nfs/dbraw/zinc/80/68/24/1067806824.db2.gz XAEADWOKWURFHL-LLVKDONJSA-N 0 1 454.228 4.666 20 0 JJADMN C[C@H](NCc1cccc(F)c1I)[C@H](O)c1c(Cl)cccc1Cl ZINC001461240089 1067807455 /nfs/dbraw/zinc/80/74/55/1067807455.db2.gz SQCFQXQXVBPJKJ-FVMDXXJSSA-N 0 1 454.110 4.949 20 0 JJADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001461254011 1067811127 /nfs/dbraw/zinc/81/11/27/1067811127.db2.gz SBRLVGINMZXFMT-QFIPXVFZSA-N 0 1 453.384 4.537 20 0 JJADMN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC001461298898 1067822263 /nfs/dbraw/zinc/82/22/63/1067822263.db2.gz GPOZPWLIIMTOLS-QXAKKESOSA-N 0 1 450.608 4.890 20 0 JJADMN O=C(N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326411 1067829186 /nfs/dbraw/zinc/82/91/86/1067829186.db2.gz AGVFAPBRFLQQTN-WOJBJXKFSA-N 0 1 455.332 4.587 20 0 JJADMN COc1cc(CNCc2ccc(C)cc2O[C@@H]2CCOC2)ccc1OCc1c(C)noc1C ZINC001461339532 1067833473 /nfs/dbraw/zinc/83/34/73/1067833473.db2.gz KXTMTZZOCKCDRP-JOCHJYFZSA-N 0 1 452.551 4.645 20 0 JJADMN O=C(CCc1ccccc1)N1CC[C@@H](NCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001461342642 1067834319 /nfs/dbraw/zinc/83/43/19/1067834319.db2.gz VCGIDGJCOXVJHA-GOSISDBHSA-N 0 1 455.318 4.791 20 0 JJADMN O=S1(=O)CCCN1c1ccc(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC001461413591 1067849956 /nfs/dbraw/zinc/84/99/56/1067849956.db2.gz ZDCHPNFRVNLJJN-UHFFFAOYSA-N 0 1 450.482 4.795 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2ccccc2-c2ccncc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461421858 1067852718 /nfs/dbraw/zinc/85/27/18/1067852718.db2.gz WKXBRZQDDCLHNX-UNMCSNQZSA-N 0 1 471.454 4.565 20 0 JJADMN CSc1ccc(/C=C/C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC001461421329 1067852813 /nfs/dbraw/zinc/85/28/13/1067852813.db2.gz VWKKMHRSQKGNLU-DGDBIBOCSA-N 0 1 472.529 4.686 20 0 JJADMN O=C1[C@@H](NCC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCN1Cc1ccc(F)cc1F ZINC001461436940 1067856269 /nfs/dbraw/zinc/85/62/69/1067856269.db2.gz RVIHYEYXJHVDKJ-FQEVSTJZSA-N 0 1 453.316 4.828 20 0 JJADMN COCO[C@@H](C)c1cc(F)c(CN[C@@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456281 1067860803 /nfs/dbraw/zinc/86/08/03/1067860803.db2.gz RQLJRRWUDMRITL-OYHNWAKOSA-N 0 1 452.364 4.583 20 0 JJADMN Clc1cc(CNCc2ccnn2CCc2ccccc2)ccc1I ZINC001461460213 1067862263 /nfs/dbraw/zinc/86/22/63/1067862263.db2.gz FSBZPPWUAGLLNF-UHFFFAOYSA-N 0 1 451.739 4.674 20 0 JJADMN C[C@@H](CCc1ccc(I)cc1)NCc1ncc(Br)s1 ZINC001461463941 1067863056 /nfs/dbraw/zinc/86/30/56/1067863056.db2.gz ZNSQPGZIDQRIFV-JTQLQIEISA-N 0 1 451.171 4.621 20 0 JJADMN Fc1ccc(Oc2ccc(F)cc2CNC[C@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC001461489807 1067874086 /nfs/dbraw/zinc/87/40/86/1067874086.db2.gz ZUXQSCCZQBWJQF-IBGZPJMESA-N 0 1 450.835 4.763 20 0 JJADMN COC(=O)c1cc(CNCc2cccc(Oc3cc(OC)cc(OC)c3)c2)n2c1CCCC2 ZINC001461495350 1067876019 /nfs/dbraw/zinc/87/60/19/1067876019.db2.gz PBJKWXOVGNWRTH-UHFFFAOYSA-N 0 1 450.535 4.710 20 0 JJADMN Cc1cc(CNC(=O)C(F)(F)F)cc(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC001461505199 1067878093 /nfs/dbraw/zinc/87/80/93/1067878093.db2.gz MYEPRYVLFWVTAJ-IBGZPJMESA-N 0 1 456.892 4.997 20 0 JJADMN COCO[C@@H](C)c1cc(F)c(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1Br ZINC001461553169 1067887227 /nfs/dbraw/zinc/88/72/27/1067887227.db2.gz MNRHDZWGAXBHJZ-QKKBWIMNSA-N 0 1 457.359 4.801 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591102 1067895723 /nfs/dbraw/zinc/89/57/23/1067895723.db2.gz HLAAMZNSYREYMI-ZJUUUORDSA-N 0 1 455.290 4.789 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC001461598808 1067898707 /nfs/dbraw/zinc/89/87/07/1067898707.db2.gz MODVPMXGZFJPCP-WNMGUVTHSA-N 0 1 453.671 4.611 20 0 JJADMN C[C@](CO)(NCc1ccc(OCCn2ccnc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001461643800 1067908486 /nfs/dbraw/zinc/90/84/86/1067908486.db2.gz OYMVLVJXDAKHEW-OAQYLSRUSA-N 0 1 453.892 4.632 20 0 JJADMN C[C@@](CO)(NCc1ccc(OCCn2ccnc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001461643798 1067908611 /nfs/dbraw/zinc/90/86/11/1067908611.db2.gz OYMVLVJXDAKHEW-NRFANRHFSA-N 0 1 453.892 4.632 20 0 JJADMN CCCOc1ccc(CNc2nc3ccc(I)cc3[nH]2)cc1OCC ZINC001461654276 1067910850 /nfs/dbraw/zinc/91/08/50/1067910850.db2.gz SNNAGXDERWTFFE-UHFFFAOYSA-N 0 1 451.308 4.967 20 0 JJADMN CCOc1cc(CN[C@@H](CO)c2ccc(Cl)cc2)cc(Br)c1OC(F)F ZINC001461671257 1067915104 /nfs/dbraw/zinc/91/51/04/1067915104.db2.gz KTAOUCFHQCIXFU-HNNXBMFYSA-N 0 1 450.707 4.926 20 0 JJADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001461690274 1067919164 /nfs/dbraw/zinc/91/91/64/1067919164.db2.gz DANZBMKAWMIMQO-FQEVSTJZSA-N 0 1 452.755 4.949 20 0 JJADMN O=C1Nc2ccc(Br)cc2CC[C@@H]1NCc1ccc(Cl)c(Br)c1 ZINC001461707655 1067922734 /nfs/dbraw/zinc/92/27/34/1067922734.db2.gz BYFDFGPHUWPIOV-INIZCTEOSA-N 0 1 458.581 4.908 20 0 JJADMN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@H]1CCC2(CCOCC2)CO1 ZINC001461729812 1067927017 /nfs/dbraw/zinc/92/70/17/1067927017.db2.gz RTTBWJMJJAMJFU-GOSISDBHSA-N 0 1 457.924 4.918 20 0 JJADMN CCO/C=C/[C@](O)(CNCc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779851 1067935663 /nfs/dbraw/zinc/93/56/63/1067935663.db2.gz XGKLITHRLFHOSB-WAVCKPEOSA-N 0 1 451.308 4.506 20 0 JJADMN FC(F)(F)c1ccc(NCCNCc2cc(Br)sc2Br)nc1 ZINC001461823728 1067942165 /nfs/dbraw/zinc/94/21/65/1067942165.db2.gz APTDBCBIGAYYBT-UHFFFAOYSA-N 0 1 459.129 4.889 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CN3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC001461849748 1067946617 /nfs/dbraw/zinc/94/66/17/1067946617.db2.gz NBPBJTOVNLJPGV-VQTJNVASSA-N 0 1 451.489 4.983 20 0 JJADMN CC1(C)CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C(C)(C)CN1Cc1ccccc1 ZINC001461875868 1067952580 /nfs/dbraw/zinc/95/25/80/1067952580.db2.gz YDCFZTGPGMOFDK-OAQYLSRUSA-N 0 1 457.412 4.654 20 0 JJADMN Cc1ccccc1CN(Cc1ccccc1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001461893694 1067956249 /nfs/dbraw/zinc/95/62/49/1067956249.db2.gz FUIMSXQQEVZWGD-UHFFFAOYSA-N 0 1 459.409 4.607 20 0 JJADMN CC(C)(C)OC(=O)NCc1ccc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC001461900451 1067957972 /nfs/dbraw/zinc/95/79/72/1067957972.db2.gz RMCQAKFJURXDGI-UHFFFAOYSA-N 0 1 458.002 4.713 20 0 JJADMN CC(C)COC(=O)N1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC001461912639 1067960061 /nfs/dbraw/zinc/96/00/61/1067960061.db2.gz UNLFCHDTZGSXDQ-UHFFFAOYSA-N 0 1 450.558 4.979 20 0 JJADMN C[C@@H](CN(C)Cc1ccc(Br)cc1SCCS(C)(=O)=O)c1ccccc1 ZINC001461912685 1067960216 /nfs/dbraw/zinc/96/02/16/1067960216.db2.gz HCWGOLXYXZDZQJ-INIZCTEOSA-N 0 1 456.471 4.821 20 0 JJADMN CN(C)C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC001462047857 1067989488 /nfs/dbraw/zinc/98/94/88/1067989488.db2.gz FIVOQCLUFIYYCV-GOSISDBHSA-N 0 1 454.785 4.806 20 0 JJADMN COC(=O)c1cc(Br)oc1CNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001462093941 1068001223 /nfs/dbraw/zinc/00/12/23/1068001223.db2.gz JHQZOOQOHKWYJD-UHFFFAOYSA-N 0 1 450.226 4.808 20 0 JJADMN CCOC(=O)c1cnn2cc(CN(C)C[C@H](CC)Oc3ccc(Cl)c(Cl)c3)cnc12 ZINC001462106311 1068004385 /nfs/dbraw/zinc/00/43/85/1068004385.db2.gz VMFVMQXLZFJBSN-HNNXBMFYSA-N 0 1 451.354 4.502 20 0 JJADMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2I)[C@H]1Oc1ccccc1 ZINC001462117745 1068007784 /nfs/dbraw/zinc/00/77/84/1068007784.db2.gz OENBFEVRUXEKAM-GUDVDZBRSA-N 0 1 457.739 4.659 20 0 JJADMN CCOC(=O)[C@H](NC1CCN(Cc2ccccc2Br)CC1)c1cccc(C)c1C ZINC001462118543 1068007939 /nfs/dbraw/zinc/00/79/39/1068007939.db2.gz PVLIDCKGFOEIPZ-HSZRJFAPSA-N 0 1 459.428 4.924 20 0 JJADMN O=C(NCc1cc(F)c(Br)cc1F)C(F)(F)c1cccc(Br)c1 ZINC001462185654 1068024665 /nfs/dbraw/zinc/02/46/65/1068024665.db2.gz MOEIUAFKKNYQTQ-UHFFFAOYSA-N 0 1 455.043 4.898 20 0 JJADMN COc1ccc(CN2CCC[C@@H]2COC(=O)NC2CCCCC2)c(OCc2cccnc2)c1 ZINC001462216714 1068030612 /nfs/dbraw/zinc/03/06/12/1068030612.db2.gz IPZORIFUXWMFHE-HSZRJFAPSA-N 0 1 453.583 4.693 20 0 JJADMN COc1cccc(Sc2ccccc2CN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1 ZINC001462382649 1068063444 /nfs/dbraw/zinc/06/34/44/1068063444.db2.gz IHRGZEWWNPBEPU-UHFFFAOYSA-N 0 1 458.624 4.698 20 0 JJADMN CCOC(=O)Cn1cc(CN2CC=C(c3ccc(Cl)cc3C)CC2)c(-c2cccnc2)n1 ZINC001462492047 1068084569 /nfs/dbraw/zinc/08/45/69/1068084569.db2.gz UOFOIZXHVYDHJM-UHFFFAOYSA-N 0 1 450.970 4.759 20 0 JJADMN O[C@@H](CNCc1c(Br)cc(F)c(F)c1N1CCCCC1)Cc1ccccc1F ZINC001462588607 1068105845 /nfs/dbraw/zinc/10/58/45/1068105845.db2.gz UCAXKUUGULCRMB-OAHLLOKOSA-N 0 1 457.334 4.550 20 0 JJADMN CCCCS(=O)(=O)c1ccc(C(=O)NCC2(N(C)Cc3ccccc3)CCCCC2)cc1 ZINC001462623716 1068115785 /nfs/dbraw/zinc/11/57/85/1068115785.db2.gz IMYYJDHJBXBAJR-UHFFFAOYSA-N 0 1 456.652 4.825 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@H]1CC2(CO1)CCN(Cc1ccc(Sc3ccccn3)o1)CC2 ZINC001462632381 1068118779 /nfs/dbraw/zinc/11/87/79/1068118779.db2.gz JIIUBTYGXNSZEH-IBGZPJMESA-N 0 1 459.612 4.722 20 0 JJADMN COCOc1ccc(OC)cc1CN1CCC(OCc2ccc(Br)cc2)CC1 ZINC001462671018 1068127757 /nfs/dbraw/zinc/12/77/57/1068127757.db2.gz SKYGYOORHKLWJH-UHFFFAOYSA-N 0 1 450.373 4.622 20 0 JJADMN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001462731958 1068147129 /nfs/dbraw/zinc/14/71/29/1068147129.db2.gz VUEAVXVEVVOKFQ-LJQANCHMSA-N 0 1 453.530 4.756 20 0 JJADMN CCN(CC)[C@H](CNS(=O)(=O)c1cc(Cl)c(Br)cc1C)c1ccccc1 ZINC001462742790 1068151736 /nfs/dbraw/zinc/15/17/36/1068151736.db2.gz VGORGACBAIQZFL-GOSISDBHSA-N 0 1 459.837 4.772 20 0 JJADMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899354 1068208107 /nfs/dbraw/zinc/20/81/07/1068208107.db2.gz XHQBJWUMXCIDAX-SIKLNZKXSA-N 0 1 457.640 4.517 20 0 JJADMN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001462912788 1068212623 /nfs/dbraw/zinc/21/26/23/1068212623.db2.gz ORVLGGZXHFONRK-UHFFFAOYSA-N 0 1 455.329 4.765 20 0 JJADMN Cc1ccc(NC(=O)C2(CNS(=O)(=O)c3c(Cl)ccc(F)c3F)CCCC2)cc1C ZINC001463198209 1068317640 /nfs/dbraw/zinc/31/76/40/1068317640.db2.gz CYHIAJHAXJPELX-UHFFFAOYSA-N 0 1 456.942 4.712 20 0 JJADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001463495538 1068419223 /nfs/dbraw/zinc/41/92/23/1068419223.db2.gz DHDAEFOMGKFQSH-SFHVURJKSA-N 0 1 457.857 4.862 20 0 JJADMN Cn1ccc(-c2cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)[nH]n2)c1 ZINC001463535952 1068432272 /nfs/dbraw/zinc/43/22/72/1068432272.db2.gz OQDKYZFERADKMZ-UHFFFAOYSA-N 0 1 453.424 4.939 20 0 JJADMN CN1CCN(c2ccc(NC(=O)c3ccsc3NC(=O)c3ccccc3Cl)cc2)CC1 ZINC001463542407 1068435271 /nfs/dbraw/zinc/43/52/71/1068435271.db2.gz IOIPSOPPHGSCIV-UHFFFAOYSA-N 0 1 454.983 4.658 20 0 JJADMN C[C@H](NC(=O)c1c[nH]c2ccc(Br)cc2c1=O)c1ccc(Br)cc1 ZINC001463551130 1068438888 /nfs/dbraw/zinc/43/88/88/1068438888.db2.gz VVEHGLQAXJNSSV-JTQLQIEISA-N 0 1 450.130 4.544 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)N2CCCC2)c1 ZINC001463560203 1068443590 /nfs/dbraw/zinc/44/35/90/1068443590.db2.gz WEQKCHLAGUULAT-HSZRJFAPSA-N 0 1 452.986 4.718 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)N1CCCC1 ZINC001463575759 1068452537 /nfs/dbraw/zinc/45/25/37/1068452537.db2.gz ZHFQJBJBVVITJY-QFIPXVFZSA-N 0 1 452.986 4.718 20 0 JJADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001463590931 1068458960 /nfs/dbraw/zinc/45/89/60/1068458960.db2.gz ANRBLFSNKGWTJT-WBVHZDCISA-N 0 1 450.963 4.932 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2OC)cc1 ZINC001463639339 1068478402 /nfs/dbraw/zinc/47/84/02/1068478402.db2.gz CDNXYNGTJDSBHV-UHFFFAOYSA-N 0 1 458.967 4.642 20 0 JJADMN CN(C)[C@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC001463645755 1068479546 /nfs/dbraw/zinc/47/95/46/1068479546.db2.gz CQVYVEFBRPNTFU-HXUWFJFHSA-N 0 1 453.633 4.973 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2ccc(Nc3nccs3)cc2F)N2CCCCC2)cc1 ZINC001463661938 1068486317 /nfs/dbraw/zinc/48/63/17/1068486317.db2.gz VCEMBDRQZVVVLG-JOCHJYFZSA-N 0 1 454.571 4.991 20 0 JJADMN COc1ccc([C@H](CNC(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 ZINC001463663092 1068486983 /nfs/dbraw/zinc/48/69/83/1068486983.db2.gz XRFLJCUWLDEFOA-PKTZIBPZSA-N 0 1 459.631 4.518 20 0 JJADMN CC(C)(C)CC(C)(C)N1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC001463707117 1068500828 /nfs/dbraw/zinc/50/08/28/1068500828.db2.gz NAHRKKIORCQGAU-UHFFFAOYSA-N 0 1 456.521 4.862 20 0 JJADMN COc1cc(C)c(S(=O)(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)cc1C ZINC001463756740 1068514142 /nfs/dbraw/zinc/51/41/42/1068514142.db2.gz UXBJPOUBUJHVJC-XMMPIXPASA-N 0 1 458.668 4.666 20 0 JJADMN CCc1ccc([C@@H](CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)N(C)C)cc1 ZINC001463760049 1068515369 /nfs/dbraw/zinc/51/53/69/1068515369.db2.gz FZLWGEJPFMZWPY-HSZRJFAPSA-N 0 1 455.961 4.724 20 0 JJADMN CC(C)c1ccc(N2CC[C@@H](C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC001463793174 1068525940 /nfs/dbraw/zinc/52/59/40/1068525940.db2.gz BQAFZMGPEDSSMR-DEOSSOPVSA-N 0 1 454.014 4.597 20 0 JJADMN CC(C)c1ccc(N2CC[C@H](C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC001463793181 1068526515 /nfs/dbraw/zinc/52/65/15/1068526515.db2.gz BQAFZMGPEDSSMR-XMMPIXPASA-N 0 1 454.014 4.597 20 0 JJADMN CCCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2=O)cc1 ZINC001463827038 1068538791 /nfs/dbraw/zinc/53/87/91/1068538791.db2.gz YUIRZNPQOUJGQA-HYBUGGRVSA-N 0 1 454.014 4.599 20 0 JJADMN CC(C)(CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1)C1=CCCC1 ZINC001463827854 1068539416 /nfs/dbraw/zinc/53/94/16/1068539416.db2.gz MBCGDDVQOVOPTK-LOSJGSFVSA-N 0 1 456.627 4.850 20 0 JJADMN CCN1C(=O)C[C@H](C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)[C@H]1c1cccc(C)c1 ZINC001463832849 1068540742 /nfs/dbraw/zinc/54/07/42/1068540742.db2.gz AZPPZKIKXNDHMX-QQKQFIJSSA-N 0 1 454.014 4.511 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001463836115 1068541906 /nfs/dbraw/zinc/54/19/06/1068541906.db2.gz HFQRUMIQKHNMLW-IOMROCGXSA-N 0 1 450.023 4.677 20 0 JJADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001463842666 1068544851 /nfs/dbraw/zinc/54/48/51/1068544851.db2.gz YSBXVQFWVQNDLV-PWRODBHTSA-N 0 1 451.577 4.940 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](C)Cc3ccccc3)ccc2Cl)cc1 ZINC001463842735 1068545402 /nfs/dbraw/zinc/54/54/02/1068545402.db2.gz GWHAVHYMEMMDBU-INIZCTEOSA-N 0 1 458.967 4.967 20 0 JJADMN CCCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccccc3Cl)N(CC)CC)CC2=O)cc1 ZINC001463912095 1068562936 /nfs/dbraw/zinc/56/29/36/1068562936.db2.gz IJLAEKCBWQMRDC-HYBUGGRVSA-N 0 1 456.030 4.845 20 0 JJADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC001464011216 1068588143 /nfs/dbraw/zinc/58/81/43/1068588143.db2.gz QUUUMWICJYFDTE-IRLDBZIGSA-N 0 1 452.542 4.584 20 0 JJADMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC001464048271 1068599633 /nfs/dbraw/zinc/59/96/33/1068599633.db2.gz WJGIVLGUVPTTFP-SFHVURJKSA-N 0 1 458.440 4.774 20 0 JJADMN CCN(Cc1ccc(C)cc1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001464060798 1068603029 /nfs/dbraw/zinc/60/30/29/1068603029.db2.gz AALYVHSZQGSLGM-UHFFFAOYSA-N 0 1 458.967 4.817 20 0 JJADMN COc1cc([C@@H](C)NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)ccc1OC(C)C ZINC001464092380 1068612011 /nfs/dbraw/zinc/61/20/11/1068612011.db2.gz BKVJVTYVISBVRD-CYBMUJFWSA-N 0 1 459.340 4.577 20 0 JJADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001464124010 1068623660 /nfs/dbraw/zinc/62/36/60/1068623660.db2.gz UZIHZAVFKGTLPH-GJZGRUSLSA-N 0 1 456.892 4.778 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001464124009 1068623728 /nfs/dbraw/zinc/62/37/28/1068623728.db2.gz UZIHZAVFKGTLPH-GASCZTMLSA-N 0 1 456.892 4.778 20 0 JJADMN 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ZINC001464326858 1068707550 /nfs/dbraw/zinc/70/75/50/1068707550.db2.gz AZJALZIUSMRFNK-GOSISDBHSA-N 0 1 455.546 4.533 20 0 JJADMN Cc1ccc(-c2csc(NC(=O)c3ccc(I)cc3O)n2)cc1C ZINC001464383454 1068726204 /nfs/dbraw/zinc/72/62/04/1068726204.db2.gz RIPOIANZHAKWBG-UHFFFAOYSA-N 0 1 450.301 4.989 20 0 JJADMN CCCNC(=O)c1ccc(NC(=O)c2cc(-c3c(C)nn([C@@H](C)CC)c3C)n[nH]2)cc1Cl ZINC001464468023 1068757443 /nfs/dbraw/zinc/75/74/43/1068757443.db2.gz PAZHUWFISILZIO-ZDUSSCGKSA-N 0 1 456.978 4.907 20 0 JJADMN Cc1ccc(CN(Cc2ccco2)C(=O)c2cccc(I)c2O)s1 ZINC001464512157 1068769320 /nfs/dbraw/zinc/76/93/20/1068769320.db2.gz JVQARFZPFCENAH-UHFFFAOYSA-N 0 1 453.301 4.802 20 0 JJADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC001464558793 1068781210 /nfs/dbraw/zinc/78/12/10/1068781210.db2.gz IGCJAAPWTGNGFS-HSZRJFAPSA-N 0 1 451.636 4.659 20 0 JJADMN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)c2)C1 ZINC001464571667 1068786320 /nfs/dbraw/zinc/78/63/20/1068786320.db2.gz 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SPKUMEANWTZKCD-WJOKGBTCSA-N 0 1 489.623 4.775 20 0 JJADMN CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1Cl ZINC001164939376 721923232 /nfs/dbraw/zinc/92/32/32/721923232.db2.gz KPYVWXRZBUBRJD-UHFFFAOYSA-N 0 1 478.420 4.745 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)CC3)C2)cc1 ZINC001164940587 721927305 /nfs/dbraw/zinc/92/73/05/721927305.db2.gz ULVMMBWEFJVFEB-UHFFFAOYSA-N 0 1 485.607 4.799 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC3)C2)cc1 ZINC001164938698 721930586 /nfs/dbraw/zinc/93/05/86/721930586.db2.gz DVMWZOPVDLXILB-UHFFFAOYSA-N 0 1 499.993 4.917 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)C2)cc1 ZINC001164938737 721930673 /nfs/dbraw/zinc/93/06/73/721930673.db2.gz FXYVJWJHXNKREN-UHFFFAOYSA-N 0 1 465.601 4.872 20 0 JJADMN CC(C)(C)C(=O)Nc1ccnc(N2CCC(CCc3ccccc3)CC2)c1CN1CC[C@H](CO)C1 ZINC001165045150 721939980 /nfs/dbraw/zinc/93/99/80/721939980.db2.gz VZODZYKJGCMTKI-DEOSSOPVSA-N 0 1 478.681 4.730 20 0 JJADMN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)C3)n1 ZINC001164959060 722026175 /nfs/dbraw/zinc/02/61/75/722026175.db2.gz HQFXISUUOSVPDQ-VEEOACQBSA-N 0 1 498.671 4.936 20 0 JJADMN Clc1cc(OCc2ccccc2)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959975 722058578 /nfs/dbraw/zinc/05/85/78/722058578.db2.gz BEEHMMQZRDPODH-UHFFFAOYSA-N 0 1 479.024 4.828 20 0 JJADMN c1ccc(COc2ccc3c(c2)ncnc3N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 ZINC001164964306 722061788 /nfs/dbraw/zinc/06/17/88/722061788.db2.gz FSXIUVZVIPJIFG-UHFFFAOYSA-N 0 1 495.627 4.723 20 0 JJADMN c1ccc(CN2CCc3nc(N4CCC[C@]5(C[C@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976777 722164432 /nfs/dbraw/zinc/16/44/32/722164432.db2.gz CVSMJZYNSCLKPF-WNJJXGMVSA-N 0 1 461.650 4.975 20 0 JJADMN c1ccc(CN2CCc3nc(N4CCC[C@]5(C[C@@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976772 722164600 /nfs/dbraw/zinc/16/46/00/722164600.db2.gz CVSMJZYNSCLKPF-UHSQPCAPSA-N 0 1 461.650 4.975 20 0 JJADMN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995977 722205240 /nfs/dbraw/zinc/20/52/40/722205240.db2.gz QZFQXTIHYDYBJH-LNMUWQJVSA-N 0 1 494.611 4.636 20 0 JJADMN COc1ccc(-c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)c(OC)c1OC ZINC001164998770 722211621 /nfs/dbraw/zinc/21/16/21/722211621.db2.gz XOPZUXRVIWSMDX-MHZLTWQESA-N 0 1 478.568 4.553 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@@H](c1ccsc1)N(C)C ZINC001545857050 1064265541 /nfs/dbraw/zinc/26/55/41/1064265541.db2.gz NMMBXPYTUDEIIB-NRFANRHFSA-N 0 1 498.697 4.743 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001545866080 1064276053 /nfs/dbraw/zinc/27/60/53/1064276053.db2.gz UQYADDRZYXTWTJ-XMMPIXPASA-N 0 1 480.701 4.660 20 0 JJADMN CC(C)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCN2CC=CCC2)C1 ZINC001359729036 1064278007 /nfs/dbraw/zinc/27/80/07/1064278007.db2.gz QXYVYEQOUKKGPJ-KRWDZBQOSA-N 0 1 464.477 4.903 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCC(CC)(CC)C2)n1Cc1cc(C)nc(N2CCCC2)c1 ZINC001545874367 1064290448 /nfs/dbraw/zinc/29/04/48/1064290448.db2.gz PCVMDMGBDZMVPU-UHFFFAOYSA-N 0 1 481.689 4.565 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)c3cnc4c(cnn4CC(C)C)c3)cc2Cl)CC1 ZINC001434879800 1064312128 /nfs/dbraw/zinc/31/21/28/1064312128.db2.gz AWOZSHLUDIFAQL-UHFFFAOYSA-N 0 1 455.006 4.525 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc(OC)cc3)cc2Cl)CC1 ZINC001434880731 1064312916 /nfs/dbraw/zinc/31/29/16/1064312916.db2.gz JZFGCUITVJJNOP-UHFFFAOYSA-N 0 1 454.958 4.788 20 0 JJADMN CCCCc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2[nH]1 ZINC001434897302 1064325411 /nfs/dbraw/zinc/32/54/11/1064325411.db2.gz CSNDKUCPIWGCKE-KRWDZBQOSA-N 0 1 454.596 4.578 20 0 JJADMN CC(C)[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](c2ccco2)N(C)C)CCS1 ZINC001359754372 1064345100 /nfs/dbraw/zinc/34/51/00/1064345100.db2.gz DITHTRCQWCPXIH-JTHBVZDNSA-N 0 1 453.656 4.537 20 0 JJADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1 ZINC001434922081 1064350596 /nfs/dbraw/zinc/35/05/96/1064350596.db2.gz QRDPEIVKSHPPNY-UHFFFAOYSA-N 0 1 453.587 4.639 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC001434923711 1064351910 /nfs/dbraw/zinc/35/19/10/1064351910.db2.gz ZJJVRBFDFONFPT-ZDUSSCGKSA-N 0 1 459.434 4.756 20 0 JJADMN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC001434963975 1064379021 /nfs/dbraw/zinc/37/90/21/1064379021.db2.gz WPZGUZHTHCKIIM-SFHVURJKSA-N 0 1 451.014 4.556 20 0 JJADMN C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434977223 1064392712 /nfs/dbraw/zinc/39/27/12/1064392712.db2.gz HNGACOMQBCBBOU-HNNXBMFYSA-N 0 1 458.990 4.845 20 0 JJADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434980389 1064397161 /nfs/dbraw/zinc/39/71/61/1064397161.db2.gz RBQTXYVCSLQBEH-GJZGRUSLSA-N 0 1 454.373 4.529 20 0 JJADMN CC(C)CC1(Cn2c(-c3ccccc3Cl)nnc2N2CCN(CCOC(C)C)CC2)CC1 ZINC001359773264 1064410728 /nfs/dbraw/zinc/41/07/28/1064410728.db2.gz KBOTXARGXYEJJM-UHFFFAOYSA-N 0 1 460.066 4.972 20 0 JJADMN CC(C)Cc1nnc(N(C)Cc2cc(Br)cs2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001359779219 1064425296 /nfs/dbraw/zinc/42/52/96/1064425296.db2.gz GSAUVFOARIMVJX-IRXDYDNUSA-N 0 1 498.535 4.825 20 0 JJADMN CC(C)Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CCC1=CCCCC1 ZINC001359785246 1064438696 /nfs/dbraw/zinc/43/86/96/1064438696.db2.gz FWVVHIXMADLQAA-UHFFFAOYSA-N 0 1 450.675 4.626 20 0 JJADMN CC(C)Cc1nnc(N(C)CCOc2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001359786103 1064439605 /nfs/dbraw/zinc/43/96/05/1064439605.db2.gz LIZZHNMBRARVDA-PMACEKPBSA-N 0 1 478.081 4.533 20 0 JJADMN O=C(CCCNC(=O)OCc1ccccc1)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001435048148 1064464519 /nfs/dbraw/zinc/46/45/19/1064464519.db2.gz VZXJHWNAPPAHFW-HSZRJFAPSA-N 0 1 458.002 4.517 20 0 JJADMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)c1ccc(I)cn1 ZINC001435051550 1064469903 /nfs/dbraw/zinc/46/99/03/1064469903.db2.gz KOQABZYTKIXGSX-UHFFFAOYSA-N 0 1 458.234 4.621 20 0 JJADMN CC(C)Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001359809273 1064483506 /nfs/dbraw/zinc/48/35/06/1064483506.db2.gz LQLNHYBZLIZYED-XMMPIXPASA-N 0 1 481.710 4.663 20 0 JJADMN COC(=O)c1ccccc1CCC(=O)N(Cc1ccc(OC)cc1)c1ccc2nc(C)[nH]c2c1 ZINC001435071301 1064493927 /nfs/dbraw/zinc/49/39/27/1064493927.db2.gz GYNSWZHXFQRWHY-UHFFFAOYSA-N 0 1 457.530 4.833 20 0 JJADMN CC(C)Cc1nnc(N2CCc3cc(Br)ccc3C2)n1C[C@@H](c1ccco1)N(C)C ZINC001359823367 1064505649 /nfs/dbraw/zinc/50/56/49/1064505649.db2.gz SBPMIYPOBJVNOZ-FQEVSTJZSA-N 0 1 472.431 4.698 20 0 JJADMN CC(C)Cc1nnc(N2CCN3CCCC[C@H]3C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001359864176 1064554157 /nfs/dbraw/zinc/55/41/57/1064554157.db2.gz HOLMCBBRGOSAGZ-QHCPKHFHSA-N 0 1 482.673 4.741 20 0 JJADMN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@H](c1ccco1)N(C)C ZINC001359866773 1064558747 /nfs/dbraw/zinc/55/87/47/1064558747.db2.gz ZBUSPPHLRDVITF-IFMALSPDSA-N 0 1 491.558 4.969 20 0 JJADMN CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001359866775 1064558799 /nfs/dbraw/zinc/55/87/99/1064558799.db2.gz ZBUSPPHLRDVITF-RBBKRZOGSA-N 0 1 491.558 4.969 20 0 JJADMN CC(C)C[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001359881808 1064576231 /nfs/dbraw/zinc/57/62/31/1064576231.db2.gz SKPLLBJJIDXYFX-QHAWAJNXSA-N 0 1 457.638 4.844 20 0 JJADMN COc1ccc(CN(C(=O)c2sc(N(C)C)nc2Cl)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001359886805 1064582871 /nfs/dbraw/zinc/58/28/71/1064582871.db2.gz ISEZNMANYFVNRP-UHFFFAOYSA-N 0 1 455.971 4.903 20 0 JJADMN CCN(CC)[C@H](C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435196273 1064584895 /nfs/dbraw/zinc/58/48/95/1064584895.db2.gz RCUHJJMIBNDTQQ-MOPGFXCFSA-N 0 1 457.537 4.604 20 0 JJADMN CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001359914978 1064635776 /nfs/dbraw/zinc/63/57/76/1064635776.db2.gz SHGDALIYHLPGPY-OALUTQOASA-N 0 1 478.479 4.689 20 0 JJADMN CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001359920776 1064645005 /nfs/dbraw/zinc/64/50/05/1064645005.db2.gz IZBJHZLKKOMRBW-RTBURBONSA-N 0 1 463.617 4.517 20 0 JJADMN CC(C)CCN(c1nnc(-c2ccc(Br)s2)n1CCN1CCSCC1)C1CC1 ZINC001359923600 1064652987 /nfs/dbraw/zinc/65/29/87/1064652987.db2.gz PEJQZAYOTPLLFH-UHFFFAOYSA-N 0 1 484.533 4.833 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC001435319206 1064692748 /nfs/dbraw/zinc/69/27/48/1064692748.db2.gz YXMFIDRAIRYXQJ-CYBMUJFWSA-N 0 1 451.365 4.691 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1C ZINC001359972069 1064748629 /nfs/dbraw/zinc/74/86/29/1064748629.db2.gz HYDFBVSQRIPHMK-UHFFFAOYSA-N 0 1 453.480 4.602 20 0 JJADMN CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001359993301 1064776677 /nfs/dbraw/zinc/77/66/77/1064776677.db2.gz QHUSFQPNLQJFKO-OYRHEFFESA-N 0 1 475.653 4.755 20 0 JJADMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1 ZINC001545891221 1064779725 /nfs/dbraw/zinc/77/97/25/1064779725.db2.gz VDCYHEKULPDMEJ-OAQYLSRUSA-N 0 1 456.011 4.963 20 0 JJADMN Cc1ccccc1-n1ncc(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c1C(C)C ZINC001360027036 1064828468 /nfs/dbraw/zinc/82/84/68/1064828468.db2.gz LSPYLEQBHDXXCW-UHFFFAOYSA-N 0 1 452.643 4.848 20 0 JJADMN CC[C@@H](C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ccc(Br)cc1 ZINC001360027555 1064829344 /nfs/dbraw/zinc/82/93/44/1064829344.db2.gz VSDKNTVRMZYFAF-HXUWFJFHSA-N 0 1 451.449 4.873 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360033943 1064837149 /nfs/dbraw/zinc/83/71/49/1064837149.db2.gz ANJJRHFJIYALFZ-HFMPRLQTSA-N 0 1 487.664 4.786 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034162 1064838116 /nfs/dbraw/zinc/83/81/16/1064838116.db2.gz BUQRXCNJBQQAHW-FPOVZHCZSA-N 0 1 487.645 4.612 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001360034695 1064839410 /nfs/dbraw/zinc/83/94/10/1064839410.db2.gz GXNDIZGTPWNKKF-DENIHFKCSA-N 0 1 460.066 4.828 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C)[C@H](C)C2)C1 ZINC001360035144 1064839813 /nfs/dbraw/zinc/83/98/13/1064839813.db2.gz KKWHFNDUTANDAS-KSZLIROESA-N 0 1 496.519 4.608 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@H](C)C2)C1 ZINC001360035922 1064842452 /nfs/dbraw/zinc/84/24/52/1064842452.db2.gz RCHOPLMKVMLFHX-IEBWSBKVSA-N 0 1 466.457 4.845 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001360036046 1064843222 /nfs/dbraw/zinc/84/32/22/1064843222.db2.gz RSRVTENZPWXMIE-NJYVYQBISA-N 0 1 460.066 4.970 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(C)C)C2)C1 ZINC001360036264 1064844481 /nfs/dbraw/zinc/84/44/81/1064844481.db2.gz WXYMJDYHQPZEST-ZRBLBEILSA-N 0 1 487.664 4.786 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)C1 ZINC001360036358 1064844577 /nfs/dbraw/zinc/84/45/77/1064844577.db2.gz YMRZRUPTBWGCLW-PMOQBDJRSA-N 0 1 460.066 4.970 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)C2CCCCC2)C1 ZINC001360036410 1064845189 /nfs/dbraw/zinc/84/51/89/1064845189.db2.gz ZNGCKIGBADYLLH-UNMCSNQZSA-N 0 1 457.638 4.846 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)s2)C1 ZINC001360038691 1064850744 /nfs/dbraw/zinc/85/07/44/1064850744.db2.gz GXRBSPDLHREGDG-SFHVURJKSA-N 0 1 496.519 4.753 20 0 JJADMN CCOC(=O)c1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccc3nc(C)[nH]c3c2)nc1C ZINC001360064855 1064905959 /nfs/dbraw/zinc/90/59/59/1064905959.db2.gz FQDZUOHFGXTWOH-UHFFFAOYSA-N 0 1 458.518 4.607 20 0 JJADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC001435648860 1064906141 /nfs/dbraw/zinc/90/61/41/1064906141.db2.gz FEQWCWLMBPSGSQ-HSZRJFAPSA-N 0 1 455.345 4.807 20 0 JJADMN CC(C)CSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 ZINC001360080097 1064936718 /nfs/dbraw/zinc/93/67/18/1064936718.db2.gz AFMHOPFGMCGKRS-UXHICEINSA-N 0 1 461.651 4.621 20 0 JJADMN CN1CC[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749534 1064973345 /nfs/dbraw/zinc/97/33/45/1064973345.db2.gz NSWDWOJUALHIMO-KOSHJBKYSA-N 0 1 458.002 4.878 20 0 JJADMN CN1CC[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749539 1064973386 /nfs/dbraw/zinc/97/33/86/1064973386.db2.gz NSWDWOJUALHIMO-MHECFPHRSA-N 0 1 458.002 4.878 20 0 JJADMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001435760936 1064980629 /nfs/dbraw/zinc/98/06/29/1064980629.db2.gz ZMBKGVNMMXHYRH-GFCCVEGCSA-N 0 1 453.536 4.804 20 0 JJADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC001435771693 1064985189 /nfs/dbraw/zinc/98/51/89/1064985189.db2.gz CUBQNNYSEGABCW-GFCCVEGCSA-N 0 1 455.287 4.933 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001545893695 1065019239 /nfs/dbraw/zinc/01/92/39/1065019239.db2.gz FVHUBJKHNGEOSY-IEBWSBKVSA-N 0 1 494.656 4.577 20 0 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COC(=O)c1cc2[nH]c(NC(=O)c3cc4ccccc4nc3Cl)nc2c(Br)c1 ZINC001440027683 1065904236 /nfs/dbraw/zinc/90/42/36/1065904236.db2.gz JACMUHNKZCXKJF-UHFFFAOYSA-N 0 1 459.687 4.566 20 0 JJADMN CC1(C)C[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001360801559 1065912120 /nfs/dbraw/zinc/91/21/20/1065912120.db2.gz HJYHMSKKWHBTKD-QGZVFWFLSA-N 0 1 485.982 4.736 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2cccc(NCc3nc(C)cs3)c2)N2CCCC2)c1 ZINC001440365415 1065933187 /nfs/dbraw/zinc/93/31/87/1065933187.db2.gz ABFYUNHDJNFXLY-HSZRJFAPSA-N 0 1 450.608 4.639 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)Cc1sc(SC(F)(F)F)nc1C)N1CCCC1 ZINC001440386876 1065936695 /nfs/dbraw/zinc/93/66/95/1065936695.db2.gz KCGIVOUBAVZGTO-OAHLLOKOSA-N 0 1 459.559 4.568 20 0 JJADMN Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440392309 1065937368 /nfs/dbraw/zinc/93/73/68/1065937368.db2.gz YIZOZVNXVPQZBJ-UHFFFAOYSA-N 0 1 457.983 4.763 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCCc2nc(C)cs2)ccc1C ZINC001440486105 1065943634 /nfs/dbraw/zinc/94/36/34/1065943634.db2.gz SBQGGFHXBVBCQC-UHFFFAOYSA-N 0 1 459.593 4.531 20 0 JJADMN C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001440496945 1065944625 /nfs/dbraw/zinc/94/46/25/1065944625.db2.gz SWLCLRDEFSYPRS-INIZCTEOSA-N 0 1 458.967 4.598 20 0 JJADMN CN(C)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1cccs1 ZINC001440528636 1065947894 /nfs/dbraw/zinc/94/78/94/1065947894.db2.gz HFOXGSGXWZRHSD-TZIWHRDSSA-N 0 1 457.640 4.725 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)ccc2OC)cc1 ZINC001440594857 1065953075 /nfs/dbraw/zinc/95/30/75/1065953075.db2.gz JFRKTPPEFGVDER-BKMJKUGQSA-N 0 1 480.586 4.811 20 0 JJADMN CN(C)[C@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(F)c1 ZINC001440673725 1065961740 /nfs/dbraw/zinc/96/17/40/1065961740.db2.gz IFSABSYQOUMWEO-WZONZLPQSA-N 0 1 455.574 4.864 20 0 JJADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c(F)c(F)c(Br)c(F)c1F ZINC001440675611 1065962513 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GFNDKFQYWPHEQU-UHFFFAOYSA-N 0 1 454.611 4.505 20 0 JJADMN CCOc1cc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954323 1065996809 /nfs/dbraw/zinc/99/68/09/1065996809.db2.gz PFNLWEOFWSGXFD-CEXWTWQISA-N 0 1 453.583 4.936 20 0 JJADMN CCOc1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954330 1065996904 /nfs/dbraw/zinc/99/69/04/1065996904.db2.gz PFNLWEOFWSGXFD-OTWHNJEPSA-N 0 1 453.583 4.936 20 0 JJADMN CC(C)c1nc(C(=O)NC[C@H](c2ccsc2)N(C)C)nn1-c1c(Cl)cccc1Cl ZINC001441005302 1065999804 /nfs/dbraw/zinc/99/98/04/1065999804.db2.gz LWPVIVLRJSJQAK-MRXNPFEDSA-N 0 1 452.411 4.792 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCCC3)n2CCN2CCSCC2)c1C ZINC001360869905 1066000184 /nfs/dbraw/zinc/00/01/84/1066000184.db2.gz RWMLLYSPBKTQLE-OAQYLSRUSA-N 0 1 457.688 4.710 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)C)C3)n2CCCCN2CCOCC2)c1C ZINC001360870222 1066001482 /nfs/dbraw/zinc/00/14/82/1066001482.db2.gz NPXRODRCCSQVEX-RPWUZVMVSA-N 0 1 469.674 4.630 20 0 JJADMN CCN(Cc1ccccc1C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001441122853 1066009266 /nfs/dbraw/zinc/00/92/66/1066009266.db2.gz BIRFRTQJZKBDJT-UHFFFAOYSA-N 0 1 458.967 4.817 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)C(C)C)c1 ZINC001441174140 1066011528 /nfs/dbraw/zinc/01/15/28/1066011528.db2.gz SAEDYTRITMOZIG-QFIPXVFZSA-N 0 1 452.576 4.666 20 0 JJADMN CCc1nc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001441225340 1066016880 /nfs/dbraw/zinc/01/68/80/1066016880.db2.gz LINZFFSKDDXUDO-QGZVFWFLSA-N 0 1 458.393 4.531 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)C)CC3)n2CCOc2ccc(Cl)cn2)c1C ZINC001360877429 1066022969 /nfs/dbraw/zinc/02/29/69/1066022969.db2.gz LJYJXAKMGYKNAH-NRFANRHFSA-N 0 1 499.059 4.693 20 0 JJADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)C(F)(F)c1ccccc1F ZINC001441311448 1066024918 /nfs/dbraw/zinc/02/49/18/1066024918.db2.gz LKLPGTRECHLRSE-UHFFFAOYSA-N 0 1 453.508 4.556 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1 ZINC001441329470 1066029340 /nfs/dbraw/zinc/02/93/40/1066029340.db2.gz WYFOIXLUVQAPML-FCHUYYIVSA-N 0 1 458.002 4.859 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1 ZINC001441329476 1066029379 /nfs/dbraw/zinc/02/93/79/1066029379.db2.gz WYFOIXLUVQAPML-FGZHOGPDSA-N 0 1 458.002 4.859 20 0 JJADMN CN1CCN(c2cc(CNC(=O)c3cc(Cl)ccc3Sc3ccccc3)ccn2)CC1 ZINC001441462729 1066043152 /nfs/dbraw/zinc/04/31/52/1066043152.db2.gz GTAQBXBSSUXPIN-UHFFFAOYSA-N 0 1 453.011 4.568 20 0 JJADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001441466020 1066043638 /nfs/dbraw/zinc/04/36/38/1066043638.db2.gz QZDRRBFJFPHWSW-HDICACEKSA-N 0 1 452.986 4.639 20 0 JJADMN CC1=C(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCSCC2)CC1 ZINC001360892711 1066044743 /nfs/dbraw/zinc/04/47/43/1066044743.db2.gz JKCMXHLSJPDCBW-UHFFFAOYSA-N 0 1 469.699 4.750 20 0 JJADMN O=C(NCc1cc2ccccc2o1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001441488055 1066046095 /nfs/dbraw/zinc/04/60/95/1066046095.db2.gz ALWQERPOWQXTJX-UHFFFAOYSA-N 0 1 458.898 4.956 20 0 JJADMN Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001441545664 1066049835 /nfs/dbraw/zinc/04/98/35/1066049835.db2.gz HPUWWEIFMXRZCL-UHFFFAOYSA-N 0 1 457.508 4.904 20 0 JJADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC001441593872 1066052411 /nfs/dbraw/zinc/05/24/11/1066052411.db2.gz VILBWIKKFUYVNS-UHFFFAOYSA-N 0 1 455.558 4.984 20 0 JJADMN Cc1nc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)C)CC2)sc1C ZINC001360903410 1066057115 /nfs/dbraw/zinc/05/71/15/1066057115.db2.gz YUKGZAJCQIMHNM-UHFFFAOYSA-N 0 1 452.672 4.895 20 0 JJADMN C[C@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001441641284 1066057153 /nfs/dbraw/zinc/05/71/53/1066057153.db2.gz IPEDPENVIAQHDU-CYBMUJFWSA-N 0 1 450.969 4.741 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)[nH]n2)c(OC)c1 ZINC001441795904 1066070294 /nfs/dbraw/zinc/07/02/94/1066070294.db2.gz OMYPNKMDUWEINY-UHFFFAOYSA-N 0 1 456.474 4.832 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(F)cc1 ZINC001441827917 1066074414 /nfs/dbraw/zinc/07/44/14/1066074414.db2.gz XMORCROLDDZAPH-FQEVSTJZSA-N 0 1 458.331 4.808 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)N1CCCCC1 ZINC001441877768 1066076275 /nfs/dbraw/zinc/07/62/75/1066076275.db2.gz AGYDPWRSQOHRTQ-DEOSSOPVSA-N 0 1 451.611 4.945 20 0 JJADMN COc1cc2[nH]cc(C(=O)N[C@@H](c3ccsc3)c3ccc(Cl)cc3)c(=O)c2c(OC)c1 ZINC001442119224 1066096395 /nfs/dbraw/zinc/09/63/95/1066096395.db2.gz ICFSHPXACVCCTL-OAQYLSRUSA-N 0 1 454.935 4.780 20 0 JJADMN CCN(CC)[C@H](C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 ZINC001442160464 1066098408 /nfs/dbraw/zinc/09/84/08/1066098408.db2.gz MFEPVTFZDPYESX-CUNXSJBXSA-N 0 1 457.574 4.784 20 0 JJADMN CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001442329542 1066116519 /nfs/dbraw/zinc/11/65/19/1066116519.db2.gz REQDZLJZSKBDGR-KRWDZBQOSA-N 0 1 459.306 4.986 20 0 JJADMN CC(C)(CNC(=O)c1cc(-c2cccc(Br)c2)no1)N1CCc2ccccc2C1 ZINC001442332306 1066116949 /nfs/dbraw/zinc/11/69/49/1066116949.db2.gz NZCHKKPEFKEWNZ-UHFFFAOYSA-N 0 1 454.368 4.671 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001360978129 1066136000 /nfs/dbraw/zinc/13/60/00/1066136000.db2.gz MDONGOPGBMRDAQ-UONOGXRCSA-N 0 1 451.365 4.738 20 0 JJADMN C[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Br)s1 ZINC001442720941 1066155263 /nfs/dbraw/zinc/15/52/63/1066155263.db2.gz KTSFNCXDKOOKPD-MRVPVSSYSA-N 0 1 456.163 4.800 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)C1 ZINC001442727697 1066156128 /nfs/dbraw/zinc/15/61/28/1066156128.db2.gz XWSILWTWOUCDAK-BVZFJXPGSA-N 0 1 453.587 4.745 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2C)c1 ZINC001442746438 1066156443 /nfs/dbraw/zinc/15/64/43/1066156443.db2.gz JSZRHNYWQWWMDI-DOTOQJQBSA-N 0 1 450.988 4.706 20 0 JJADMN Cc1ccc(C(=O)Nc2ccc(OC(=O)CCCN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC001442766518 1066158674 /nfs/dbraw/zinc/15/86/74/1066158674.db2.gz VISOORDHDYLQQR-UHFFFAOYSA-N 0 1 457.574 4.755 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C3CCC3)CC2)n1CCOCC(F)F ZINC001360992658 1066172038 /nfs/dbraw/zinc/17/20/38/1066172038.db2.gz QMFJMFPFCLSGGU-SFHVURJKSA-N 0 1 498.018 4.645 20 0 JJADMN Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](c2ccsc2)N(C)C)c(C)c1 ZINC001361014473 1066201321 /nfs/dbraw/zinc/20/13/21/1066201321.db2.gz ONVJSMONZXHAMF-JOCHJYFZSA-N 0 1 482.698 4.841 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1 ZINC001361026831 1066227360 /nfs/dbraw/zinc/22/73/60/1066227360.db2.gz IANPXHDRDNRNMK-AOYPEHQESA-N 0 1 483.701 4.703 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001361026830 1066227539 /nfs/dbraw/zinc/22/75/39/1066227539.db2.gz IANPXHDRDNRNMK-AHWVRZQESA-N 0 1 483.701 4.703 20 0 JJADMN Cc1ccc([C@@H](CNC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)N2CCCC2)o1 ZINC001442881260 1066237239 /nfs/dbraw/zinc/23/72/39/1066237239.db2.gz OAJKJEZUBAAIPC-XMMPIXPASA-N 0 1 459.590 4.527 20 0 JJADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc(I)c1O ZINC001442906094 1066238690 /nfs/dbraw/zinc/23/86/90/1066238690.db2.gz IZVNOIHIRGVVIP-SECBINFHSA-N 0 1 450.103 4.665 20 0 JJADMN C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC001454213696 1066254840 /nfs/dbraw/zinc/25/48/40/1066254840.db2.gz CSXRSDWAWYLIOZ-ZWNOBZJWSA-N 0 1 451.741 4.753 20 0 JJADMN C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC001454213693 1066254977 /nfs/dbraw/zinc/25/49/77/1066254977.db2.gz CSXRSDWAWYLIOZ-MFKMUULPSA-N 0 1 451.741 4.753 20 0 JJADMN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001454222352 1066255433 /nfs/dbraw/zinc/25/54/33/1066255433.db2.gz RJECOCHOAJMZLQ-YJYMSZOUSA-N 0 1 458.946 4.668 20 0 JJADMN O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(I)c1O ZINC001454338006 1066272451 /nfs/dbraw/zinc/27/24/51/1066272451.db2.gz PRSBKSWMCLFAOV-UHFFFAOYSA-N 0 1 455.601 4.599 20 0 JJADMN CC[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546061582 1066282160 /nfs/dbraw/zinc/28/21/60/1066282160.db2.gz BZILEZGXMLIHRI-SBZFUYPRSA-N 0 1 473.637 4.683 20 0 JJADMN CCc1c(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)[nH]nc1-c1ccncc1 ZINC001443237149 1066282890 /nfs/dbraw/zinc/28/28/90/1066282890.db2.gz BYLHPRCZXCJPDA-UHFFFAOYSA-N 0 1 452.971 4.912 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CCOc3ccccc3C(C)C)CC2)c1C ZINC001443406947 1066306499 /nfs/dbraw/zinc/30/64/99/1066306499.db2.gz KQLFXZVUWQZHTL-UHFFFAOYSA-N 0 1 453.627 4.722 20 0 JJADMN CCc1c(NC(=O)Cn2cc(C=O)c3ccccc32)[nH]nc1-c1ccc(Br)cc1 ZINC001443500546 1066319833 /nfs/dbraw/zinc/31/98/33/1066319833.db2.gz QBEOFYURGNLVDR-UHFFFAOYSA-N 0 1 451.324 4.808 20 0 JJADMN Cc1ccc(O)cc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001454710012 1066324288 /nfs/dbraw/zinc/32/42/88/1066324288.db2.gz CKLDDTFEEKEBEB-UHFFFAOYSA-N 0 1 450.438 4.773 20 0 JJADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3csc([C@@H](C)NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC001443535252 1066325947 /nfs/dbraw/zinc/32/59/47/1066325947.db2.gz WXQMTCNNXDFKQH-KDOFPFPSSA-N 0 1 455.584 4.891 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)Cc3ccccc32)c1 ZINC001443547010 1066328144 /nfs/dbraw/zinc/32/81/44/1066328144.db2.gz HWDLRRCGXNSVSF-QGZVFWFLSA-N 0 1 450.560 4.643 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC001443603173 1066335508 /nfs/dbraw/zinc/33/55/08/1066335508.db2.gz WHGNKPGOKIJYIP-DEOSSOPVSA-N 0 1 450.560 4.767 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN1CCSCC1 ZINC001361089661 1066337480 /nfs/dbraw/zinc/33/74/80/1066337480.db2.gz ZFVKOYRZRLGPIR-FPOVZHCZSA-N 0 1 492.133 4.783 20 0 JJADMN O=C(CSCc1cccc(Cl)c1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443630520 1066340040 /nfs/dbraw/zinc/34/00/40/1066340040.db2.gz HXLTVEABOWATOL-UHFFFAOYSA-N 0 1 452.451 4.555 20 0 JJADMN O=C(c1nc[nH]c(=O)c1Br)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1 ZINC001454969693 1066348147 /nfs/dbraw/zinc/34/81/47/1066348147.db2.gz MJAMWVAOOSEBAN-MRXNPFEDSA-N 0 1 454.324 4.584 20 0 JJADMN Cc1cccc(N(C)c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361102847 1066352774 /nfs/dbraw/zinc/35/27/74/1066352774.db2.gz HVBZGBOVTCJLIF-PMACEKPBSA-N 0 1 453.656 4.895 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001546068138 1066356632 /nfs/dbraw/zinc/35/66/32/1066356632.db2.gz ITIUARQSBMAGQQ-XUZZJYLKSA-N 0 1 490.490 4.691 20 0 JJADMN CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(I)cc3O)ccc2o1 ZINC001443771714 1066365942 /nfs/dbraw/zinc/36/59/42/1066365942.db2.gz UDSUYYLFLCOMLT-UHFFFAOYSA-N 0 1 450.276 4.979 20 0 JJADMN CN1CCCc2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC001443803379 1066370080 /nfs/dbraw/zinc/37/00/80/1066370080.db2.gz PFBHOCLVPWMSFN-UHFFFAOYSA-N 0 1 455.967 4.776 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC(C)(C)C)n2CCN2CCSCC2)c1 ZINC001361124040 1066376492 /nfs/dbraw/zinc/37/64/92/1066376492.db2.gz UVLGYPLZYYHCOK-UHFFFAOYSA-N 0 1 459.704 4.820 20 0 JJADMN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001455462066 1066394135 /nfs/dbraw/zinc/39/41/35/1066394135.db2.gz FRWVNCRYSYQDQL-JTSKRJEESA-N 0 1 456.587 4.514 20 0 JJADMN CC(C)c1cc([C@H]2CCCN(C(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)n[nH]1 ZINC001455468350 1066394522 /nfs/dbraw/zinc/39/45/22/1066394522.db2.gz USZKALFAAPSBOT-KRWDZBQOSA-N 0 1 458.628 4.908 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)n1 ZINC001361130457 1066395505 /nfs/dbraw/zinc/39/55/05/1066395505.db2.gz NCGVAERSFKESRU-MHZLTWQESA-N 0 1 495.672 4.600 20 0 JJADMN Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[nH]1 ZINC001361130457 1066395523 /nfs/dbraw/zinc/39/55/23/1066395523.db2.gz NCGVAERSFKESRU-MHZLTWQESA-N 0 1 495.672 4.600 20 0 JJADMN COc1ccc(Br)c(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 ZINC001444023379 1066395664 /nfs/dbraw/zinc/39/56/64/1066395664.db2.gz FGLUCQWNGKFDAZ-HSZRJFAPSA-N 0 1 450.336 4.782 20 0 JJADMN COc1cccc(Cc2cnc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)s2)c1 ZINC001455506440 1066399200 /nfs/dbraw/zinc/39/92/00/1066399200.db2.gz YAIMQFYPCBERDN-NRFANRHFSA-N 0 1 457.546 4.838 20 0 JJADMN O=C(Cc1csc(-c2cccs2)n1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444136069 1066412487 /nfs/dbraw/zinc/41/24/87/1066412487.db2.gz LZTUSBYGSXMBEC-INIZCTEOSA-N 0 1 451.539 4.824 20 0 JJADMN CCOc1ccccc1OCCCC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444138538 1066413111 /nfs/dbraw/zinc/41/31/11/1066413111.db2.gz PFIVJTMSPYSKQU-HXUWFJFHSA-N 0 1 450.501 4.654 20 0 JJADMN Cc1cc(Cl)ccc1O[C@@H](C(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1 ZINC001455643272 1066418204 /nfs/dbraw/zinc/41/82/04/1066418204.db2.gz ZSJDLGLWPOKWKE-UMXIMWEHSA-N 0 1 457.014 4.776 20 0 JJADMN O=C(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001455641023 1066418245 /nfs/dbraw/zinc/41/82/45/1066418245.db2.gz NVXNKWOSULAZBT-HKUYNNGSSA-N 0 1 463.441 4.798 20 0 JJADMN O=C(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001455639557 1066418285 /nfs/dbraw/zinc/41/82/85/1066418285.db2.gz GUHWHPTZOCDVLA-CVDCTZTESA-N 0 1 473.411 4.862 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N(C)CC(C)C)n2Cc2cc(C)nc(N3CCCC3)c2)c1 ZINC001361145607 1066428856 /nfs/dbraw/zinc/42/88/56/1066428856.db2.gz CNIADFJADLZHJY-UHFFFAOYSA-N 0 1 462.642 4.918 20 0 JJADMN Cc1nccn1-c1ccncc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC001444208328 1066428989 /nfs/dbraw/zinc/42/89/89/1066428989.db2.gz UOJZWJPPBGPVRX-UHFFFAOYSA-N 0 1 453.296 4.763 20 0 JJADMN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)C2CCC(N3CCOCC3)CC2)c1 ZINC001444259244 1066437666 /nfs/dbraw/zinc/43/76/66/1066437666.db2.gz FJOXFZLUOGRHOD-RMBIHJOLSA-N 0 1 450.623 4.603 20 0 JJADMN Cc1nc2ccccc2c(C)c1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC001444276937 1066442703 /nfs/dbraw/zinc/44/27/03/1066442703.db2.gz ZDXFYMUUFJYGRM-UHFFFAOYSA-N 0 1 456.512 4.552 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361151707 1066443874 /nfs/dbraw/zinc/44/38/74/1066443874.db2.gz DWLTYNYJBMORKB-SMIHKQSGSA-N 0 1 483.701 4.846 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361151709 1066443924 /nfs/dbraw/zinc/44/39/24/1066443924.db2.gz DWLTYNYJBMORKB-VXNXHJTFSA-N 0 1 483.701 4.846 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361152044 1066445316 /nfs/dbraw/zinc/44/53/16/1066445316.db2.gz HMCFZRJTVYVSKL-MZURWIMNSA-N 0 1 483.701 4.844 20 0 JJADMN CCCC[C@@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001444316489 1066447357 /nfs/dbraw/zinc/44/73/57/1066447357.db2.gz CNIGLQDSZGNZAC-KRWDZBQOSA-N 0 1 459.395 4.729 20 0 JJADMN CCCN(C(=O)c1cccc(I)c1O)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001444318773 1066447921 /nfs/dbraw/zinc/44/79/21/1066447921.db2.gz DYCCVLMWRTZEBI-IRXDYDNUSA-N 0 1 457.352 4.587 20 0 JJADMN O=C(NCc1c[nH]c(=O)c2ccccc12)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001455906215 1066448832 /nfs/dbraw/zinc/44/88/32/1066448832.db2.gz NSFXMVJCAUQXEO-UHFFFAOYSA-N 0 1 453.907 4.543 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C)CC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156303 1066458169 /nfs/dbraw/zinc/45/81/69/1066458169.db2.gz SEWNOJPHAFKQFY-NKKJXINNSA-N 0 1 469.674 4.600 20 0 JJADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001444497160 1066468115 /nfs/dbraw/zinc/46/81/15/1066468115.db2.gz DPGBGDITYOPUIX-MGPUTAFESA-N 0 1 450.988 4.887 20 0 JJADMN COc1ccc(-c2n[nH]c(NC(=O)c3cccc4cccc(Br)c43)n2)cc1OC ZINC001444586939 1066479557 /nfs/dbraw/zinc/47/95/57/1066479557.db2.gz SFCJANXSPOZSBB-UHFFFAOYSA-N 0 1 453.296 4.657 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)o1 ZINC001361169667 1066484275 /nfs/dbraw/zinc/48/42/75/1066484275.db2.gz ITYZRBVFCOHYIO-UGKGYDQZSA-N 0 1 455.578 4.540 20 0 JJADMN CC(C)(C)OC(=O)NCC1(CC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC001456033111 1066484199 /nfs/dbraw/zinc/48/41/99/1066484199.db2.gz YGSLGXPUSSPFFW-HXUWFJFHSA-N 0 1 450.023 4.506 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C3(Cc4ccccc4Cl)CC3)CC2)c1C ZINC001456037538 1066486353 /nfs/dbraw/zinc/48/63/53/1066486353.db2.gz IDFMCNLIZJQNOR-UHFFFAOYSA-N 0 1 456.030 4.806 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546079354 1066508344 /nfs/dbraw/zinc/50/83/44/1066508344.db2.gz KMQKHMZDGMUPBD-IPVFLDMMSA-N 0 1 487.714 4.705 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)n2)cc1 ZINC001444988540 1066526843 /nfs/dbraw/zinc/52/68/43/1066526843.db2.gz BAFLFASGYNPIKL-UHFFFAOYSA-N 0 1 456.984 4.607 20 0 JJADMN CCc1cnc(CNC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)s1 ZINC001444998991 1066528497 /nfs/dbraw/zinc/52/84/97/1066528497.db2.gz QIRQMHMKEDOQGI-UHFFFAOYSA-N 0 1 459.234 4.775 20 0 JJADMN O=C(Nc1nc(Cc2ccccc2)ns1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001456177857 1066529917 /nfs/dbraw/zinc/52/99/17/1066529917.db2.gz HDUHHEPHAUHEHM-UHFFFAOYSA-N 0 1 459.300 4.938 20 0 JJADMN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001456237079 1066541815 /nfs/dbraw/zinc/54/18/15/1066541815.db2.gz XRLMFDDYDJYYED-UHFFFAOYSA-N 0 1 459.494 4.560 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CCN(C4CCC(C(C)C)CC4)CC3)[nH]n2)c1C ZINC001445266994 1066550014 /nfs/dbraw/zinc/55/00/14/1066550014.db2.gz DJJLSGWSLYOXBO-OSFYOIPJSA-N 0 1 454.663 4.834 20 0 JJADMN CC(C)C1CCC(N2CCN(C(=O)c3ccccc3N(C)C(=O)c3cccs3)CC2)CC1 ZINC001445277145 1066551910 /nfs/dbraw/zinc/55/19/10/1066551910.db2.gz XNHHYPSUOBZJPW-UHFFFAOYSA-N 0 1 453.652 4.997 20 0 JJADMN Cc1ccc(-c2nnc(N3CCCCCCC3)n2CCN2CCSCC2)cc1Br ZINC001361219087 1066555800 /nfs/dbraw/zinc/55/58/00/1066555800.db2.gz TVUALIPRGXSDRE-UHFFFAOYSA-N 0 1 478.504 4.835 20 0 JJADMN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC001445390543 1066566025 /nfs/dbraw/zinc/56/60/25/1066566025.db2.gz JYPRETATFLBOJK-UHFFFAOYSA-N 0 1 454.939 4.712 20 0 JJADMN CCOC(=O)c1[nH]nc(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)c1C ZINC001456344235 1066566380 /nfs/dbraw/zinc/56/63/80/1066566380.db2.gz QRDBHROOVOBZMT-UHFFFAOYSA-N 0 1 456.549 4.951 20 0 JJADMN COc1ccc(COC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001456362990 1066571301 /nfs/dbraw/zinc/57/13/01/1066571301.db2.gz CYEACSYZUHZOFA-OAQYLSRUSA-N 0 1 459.411 4.794 20 0 JJADMN Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456436460 1066585426 /nfs/dbraw/zinc/58/54/26/1066585426.db2.gz IPDSTFJGPWJMMR-UHFFFAOYSA-N 0 1 453.970 4.668 20 0 JJADMN CCCCc1nc2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@H]3C[C@@H]3C)cc2[nH]1 ZINC001445541494 1066585778 /nfs/dbraw/zinc/58/57/78/1066585778.db2.gz OUMWWYJFCBRLIZ-GOEBONIOSA-N 0 1 450.539 4.770 20 0 JJADMN CCCCc1nc2ccc(NC(=O)CSc3nnc(C)n3-c3cccc(OC)c3)cc2[nH]1 ZINC001445545122 1066586273 /nfs/dbraw/zinc/58/62/73/1066586273.db2.gz UZKYYPSOOTVFRA-UHFFFAOYSA-N 0 1 450.568 4.534 20 0 JJADMN Cc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(C)C)CC2)c(C)c1 ZINC001361246117 1066588572 /nfs/dbraw/zinc/58/85/72/1066588572.db2.gz YPFURHUZFUHPDD-DNQXCXABSA-N 0 1 453.675 4.587 20 0 JJADMN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001361247871 1066590438 /nfs/dbraw/zinc/59/04/38/1066590438.db2.gz NFORQRJJGDGVQP-HNNXBMFYSA-N 0 1 453.381 4.839 20 0 JJADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590222 1066592715 /nfs/dbraw/zinc/59/27/15/1066592715.db2.gz IRQILRHZZOIGFV-YKSBVNFPSA-N 0 1 454.574 4.952 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001361250391 1066596733 /nfs/dbraw/zinc/59/67/33/1066596733.db2.gz FXXKAOUGKAQEFV-UHFFFAOYSA-N 0 1 458.336 4.874 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccco3)n[nH]2)c1C ZINC001445695740 1066605662 /nfs/dbraw/zinc/60/56/62/1066605662.db2.gz DULBILJKGNXDNW-DENIHFKCSA-N 0 1 453.587 4.792 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccco3)n[nH]2)c1C ZINC001445695778 1066605752 /nfs/dbraw/zinc/60/57/52/1066605752.db2.gz DULBILJKGNXDNW-UGKGYDQZSA-N 0 1 453.587 4.792 20 0 JJADMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512572 1066607575 /nfs/dbraw/zinc/60/75/75/1066607575.db2.gz XOQKWAQVDQHRTF-OFNKIYASSA-N 0 1 456.428 4.507 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361261342 1066612905 /nfs/dbraw/zinc/61/29/05/1066612905.db2.gz PQBMDRYYZXMRCS-GOTSBHOMSA-N 0 1 495.668 4.900 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001361261283 1066612933 /nfs/dbraw/zinc/61/29/33/1066612933.db2.gz NTRZDCLWCPAMPY-OAQYLSRUSA-N 0 1 469.586 4.898 20 0 JJADMN C[C@@]1(NC(=O)c2cc(Br)ccc2[O-])C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456558365 1066624421 /nfs/dbraw/zinc/62/44/21/1066624421.db2.gz ZHOCWXPQYGYANV-WIOPSUGQSA-N 0 1 465.391 4.943 20 0 JJADMN C[C@@]1(NC(=O)c2cc(Br)ccc2[O-])C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456558365 1066624428 /nfs/dbraw/zinc/62/44/28/1066624428.db2.gz ZHOCWXPQYGYANV-WIOPSUGQSA-N 0 1 465.391 4.943 20 0 JJADMN Cc1ccccc1OCCCN(C)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001492599598 1066650535 /nfs/dbraw/zinc/65/05/35/1066650535.db2.gz ZFBRRHZZGQWQFD-SZPZYZBQSA-N 0 1 457.663 4.503 20 0 JJADMN Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001492601767 1066656466 /nfs/dbraw/zinc/65/64/66/1066656466.db2.gz JDNWZIDRQOAASE-FGZHOGPDSA-N 0 1 471.690 4.578 20 0 JJADMN CCCCN1CCc2ccc(NC(=O)c3cn[nH]c3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001446101258 1066660115 /nfs/dbraw/zinc/66/01/15/1066660115.db2.gz BTTWFWCGCYDQME-GOSISDBHSA-N 0 1 453.587 4.549 20 0 JJADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001456736001 1066678356 /nfs/dbraw/zinc/67/83/56/1066678356.db2.gz XPJYYIARDZIGFH-VWLOTQADSA-N 0 1 455.646 4.805 20 0 JJADMN CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001492615485 1066681688 /nfs/dbraw/zinc/68/16/88/1066681688.db2.gz OIICUXBIDFGSCH-RTBURBONSA-N 0 1 488.474 4.752 20 0 JJADMN CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC001446329774 1066691163 /nfs/dbraw/zinc/69/11/63/1066691163.db2.gz DCZQJWRWMSNIMA-UHFFFAOYSA-N 0 1 455.387 4.999 20 0 JJADMN CN(CC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1nc2ccccc2s1 ZINC001446332027 1066692146 /nfs/dbraw/zinc/69/21/46/1066692146.db2.gz HJNKRYUBTIBAHR-UHFFFAOYSA-N 0 1 455.412 4.902 20 0 JJADMN COc1cc([C@@H](C)NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc2ccccc21 ZINC001456808711 1066697172 /nfs/dbraw/zinc/69/71/72/1066697172.db2.gz IJFZPPFQAMUBCE-LJQANCHMSA-N 0 1 451.998 4.891 20 0 JJADMN COc1cc([C@H](C)NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc2ccccc21 ZINC001456808707 1066697193 /nfs/dbraw/zinc/69/71/93/1066697193.db2.gz IJFZPPFQAMUBCE-IBGZPJMESA-N 0 1 451.998 4.891 20 0 JJADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446397306 1066702061 /nfs/dbraw/zinc/70/20/61/1066702061.db2.gz OUUFTTZUVLYTKQ-VIFPVBQESA-N 0 1 459.291 4.821 20 0 JJADMN Cc1csc([C@@H](C)Cn2c(N3CCN(Cc4ccccc4)C[C@H]3C)nnc2C(C)(C)C)n1 ZINC001492638436 1066726642 /nfs/dbraw/zinc/72/66/42/1066726642.db2.gz HMJUBBUWJCFXGJ-AZUAARDMSA-N 0 1 452.672 4.855 20 0 JJADMN O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC001446664111 1066730355 /nfs/dbraw/zinc/73/03/55/1066730355.db2.gz FRPKJGWNTJVWGF-UHFFFAOYSA-N 0 1 458.952 4.558 20 0 JJADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC001446707376 1066733075 /nfs/dbraw/zinc/73/30/75/1066733075.db2.gz GFENVQAWWAURBE-UHFFFAOYSA-N 0 1 454.061 4.798 20 0 JJADMN CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)cc1C ZINC001446718598 1066734172 /nfs/dbraw/zinc/73/41/72/1066734172.db2.gz ZZBQPMDIODRJGJ-UHFFFAOYSA-N 0 1 458.923 4.610 20 0 JJADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC=C(c2ccccc2)C1 ZINC001446738753 1066735343 /nfs/dbraw/zinc/73/53/43/1066735343.db2.gz HQNPCUFVRABANZ-UHFFFAOYSA-N 0 1 456.926 4.819 20 0 JJADMN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642980 1066737808 /nfs/dbraw/zinc/73/78/08/1066737808.db2.gz WSHMTYIMRWKHCL-SLFFLAALSA-N 0 1 474.719 4.612 20 0 JJADMN CCC[C@H]1CN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CCN1Cc1ccccc1 ZINC001446812323 1066743963 /nfs/dbraw/zinc/74/39/63/1066743963.db2.gz FVRJSKFDNKBUKJ-DEOSSOPVSA-N 0 1 456.590 4.769 20 0 JJADMN CCC[C@@H]1CN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CCN1Cc1ccccc1 ZINC001446812329 1066744066 /nfs/dbraw/zinc/74/40/66/1066744066.db2.gz FVRJSKFDNKBUKJ-XMMPIXPASA-N 0 1 456.590 4.769 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492645667 1066747079 /nfs/dbraw/zinc/74/70/79/1066747079.db2.gz DZEDUGJOFCYADX-ROUUACIJSA-N 0 1 489.089 4.888 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492645868 1066747583 /nfs/dbraw/zinc/74/75/83/1066747583.db2.gz LUMBHMYXKKGPHP-BGYRXZFFSA-N 0 1 453.656 4.839 20 0 JJADMN O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC001457033337 1066748910 /nfs/dbraw/zinc/74/89/10/1066748910.db2.gz LIMDGXCXWIPLEU-UHFFFAOYSA-N 0 1 451.605 4.713 20 0 JJADMN Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492647140 1066751049 /nfs/dbraw/zinc/75/10/49/1066751049.db2.gz FXSATUDTNFUOAD-RTBURBONSA-N 0 1 489.636 4.653 20 0 JJADMN O=C(CCc1cccc(F)c1Br)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446980436 1066760920 /nfs/dbraw/zinc/76/09/20/1066760920.db2.gz IOROGSOKYMAWRD-KRWDZBQOSA-N 0 1 457.347 4.712 20 0 JJADMN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001446981577 1066761532 /nfs/dbraw/zinc/76/15/32/1066761532.db2.gz LRXASTWJRNSXSS-SFHVURJKSA-N 0 1 450.505 4.742 20 0 JJADMN CC[C@@]1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985477 1066762021 /nfs/dbraw/zinc/76/20/21/1066762021.db2.gz QFEIFXCZMMENAW-CLOONOSVSA-N 0 1 459.635 4.738 20 0 JJADMN Cc1cscc1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC(C)C)CC1 ZINC001492654491 1066763864 /nfs/dbraw/zinc/76/38/64/1066763864.db2.gz VJEINYHVCXDKOZ-UHFFFAOYSA-N 0 1 478.037 4.703 20 0 JJADMN Cc1ccc(-c2cc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@@H]4C(C)C)CC3)n[nH]2)cc1 ZINC001457111566 1066764871 /nfs/dbraw/zinc/76/48/71/1066764871.db2.gz CBEHGGMBDAXMCD-JOCHJYFZSA-N 0 1 452.599 4.883 20 0 JJADMN CCC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1 ZINC001457134708 1066769719 /nfs/dbraw/zinc/76/97/19/1066769719.db2.gz YBIWFELJTTWMQJ-RUZDIDTESA-N 0 1 452.576 4.941 20 0 JJADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(C(F)(F)F)ccc1Br ZINC001447153516 1066778465 /nfs/dbraw/zinc/77/84/65/1066778465.db2.gz MXXMUHFPHQMFOW-UHFFFAOYSA-N 0 1 457.290 4.677 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@H](c2ccsc2)N(C)C)cs1 ZINC001492662134 1066781897 /nfs/dbraw/zinc/78/18/97/1066781897.db2.gz PMCLLRBUVHCITB-KSFYIVLOSA-N 0 1 482.679 4.901 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H](c2ccsc2)N(C)C)cs1 ZINC001492666105 1066790021 /nfs/dbraw/zinc/79/00/21/1066790021.db2.gz HGMDZIJVMQOJHT-HXUWFJFHSA-N 0 1 488.086 4.683 20 0 JJADMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1OC(C)C ZINC001447376748 1066801543 /nfs/dbraw/zinc/80/15/43/1066801543.db2.gz TULYRMQADKZAEB-UHFFFAOYSA-N 0 1 458.511 4.675 20 0 JJADMN O=C(N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ncc(Br)cc1O ZINC001447490712 1066815295 /nfs/dbraw/zinc/81/52/95/1066815295.db2.gz VGSYUGAJJUKSNK-NSHDSACASA-N 0 1 457.168 4.992 20 0 JJADMN CN1CCN(c2ccc(CCNC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)CC1 ZINC001457365783 1066817749 /nfs/dbraw/zinc/81/77/49/1066817749.db2.gz WGNBULKSVFZWRL-UHFFFAOYSA-N 0 1 451.655 4.712 20 0 JJADMN CC(C)([C@H](NC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001447550555 1066820346 /nfs/dbraw/zinc/82/03/46/1066820346.db2.gz BOHVHXOVKCQJPM-JOCHJYFZSA-N 0 1 456.537 4.594 20 0 JJADMN CC(C)([C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447550770 1066820681 /nfs/dbraw/zinc/82/06/81/1066820681.db2.gz CHCZDMLOSGEWKK-IBGZPJMESA-N 0 1 453.327 4.778 20 0 JJADMN Cc1cc(Br)c(C(=O)NCCN(C)Cc2ccc(F)cc2)cc1Br ZINC001457393008 1066821421 /nfs/dbraw/zinc/82/14/21/1066821421.db2.gz DXFQJGMDVORLOK-UHFFFAOYSA-N 0 1 458.169 4.521 20 0 JJADMN O=C(N[C@@H](CCO)c1ccccc1Br)c1cccc2nc(-c3cccs3)[nH]c21 ZINC001447580998 1066825600 /nfs/dbraw/zinc/82/56/00/1066825600.db2.gz FLSUPBNWGJQIPX-INIZCTEOSA-N 0 1 456.365 4.907 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@@H](C(F)F)C2)n1 ZINC001492687523 1066833033 /nfs/dbraw/zinc/83/30/33/1066833033.db2.gz ZKYCDIOSIVCSEU-DOTOQJQBSA-N 0 1 493.990 4.839 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@@H](C(F)F)C2)[nH]1 ZINC001492687523 1066833040 /nfs/dbraw/zinc/83/30/40/1066833040.db2.gz ZKYCDIOSIVCSEU-DOTOQJQBSA-N 0 1 493.990 4.839 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCc4cc(Br)ccc4C3)n[nH]2)c1C ZINC001447648429 1066835510 /nfs/dbraw/zinc/83/55/10/1066835510.db2.gz GQBVWKRWKRQMJQ-UHFFFAOYSA-N 0 1 456.388 4.651 20 0 JJADMN Cc1n[nH]c(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](CC(C)C)C2)n1 ZINC001492691710 1066836770 /nfs/dbraw/zinc/83/67/70/1066836770.db2.gz LQKHSZSGQIARFP-KRWDZBQOSA-N 0 1 460.051 4.765 20 0 JJADMN Cc1nnc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](CC(C)C)C2)[nH]1 ZINC001492691710 1066836780 /nfs/dbraw/zinc/83/67/80/1066836780.db2.gz LQKHSZSGQIARFP-KRWDZBQOSA-N 0 1 460.051 4.765 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)cc1 ZINC001457481400 1066840535 /nfs/dbraw/zinc/84/05/35/1066840535.db2.gz SFRJAAMMCBAOQF-UHFFFAOYSA-N 0 1 450.988 4.850 20 0 JJADMN COc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC001457504092 1066844733 /nfs/dbraw/zinc/84/47/33/1066844733.db2.gz MGCRODMPRMBLMQ-DURYTUKUSA-N 0 1 454.523 4.623 20 0 JJADMN Cc1cc(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)no1 ZINC001457504917 1066845262 /nfs/dbraw/zinc/84/52/62/1066845262.db2.gz RUFNYEVELSBWKD-UHFFFAOYSA-N 0 1 454.335 4.662 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)ccc2Cl)cc1 ZINC001457529998 1066852829 /nfs/dbraw/zinc/85/28/29/1066852829.db2.gz JZWGJVKNIMUASJ-MRXNPFEDSA-N 0 1 458.967 4.949 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)ccc2Cl)cc1 ZINC001457529981 1066853101 /nfs/dbraw/zinc/85/31/01/1066853101.db2.gz JZWGJVKNIMUASJ-INIZCTEOSA-N 0 1 458.967 4.949 20 0 JJADMN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1ccc(O)c(Cl)c1 ZINC001447795831 1066860177 /nfs/dbraw/zinc/86/01/77/1066860177.db2.gz XQAFGZGHFFBZJZ-HNNXBMFYSA-N 0 1 454.748 4.638 20 0 JJADMN CC[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC001457650753 1066890308 /nfs/dbraw/zinc/89/03/08/1066890308.db2.gz NQQLJENIOWJDJJ-MAUKXSAKSA-N 0 1 450.988 4.848 20 0 JJADMN COc1ccc2c(c1)[nH]cc(C(=O)NCC1(c3ccc(Br)cc3)CCCC1)c2=O ZINC001457670518 1066894466 /nfs/dbraw/zinc/89/44/66/1066894466.db2.gz OHAWMJDFILRCJE-UHFFFAOYSA-N 0 1 455.352 4.541 20 0 JJADMN CO[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1)C(C)C ZINC001457672407 1066895023 /nfs/dbraw/zinc/89/50/23/1066895023.db2.gz WKEMZGPJNPZPOJ-GOSISDBHSA-N 0 1 459.395 4.503 20 0 JJADMN CO[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccccc1Br ZINC001448060067 1066895274 /nfs/dbraw/zinc/89/52/74/1066895274.db2.gz DKVASPFYKOVNEF-ZWKOTPCHSA-N 0 1 459.306 4.575 20 0 JJADMN CN(C)c1cc(Br)cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC001448068508 1066895827 /nfs/dbraw/zinc/89/58/27/1066895827.db2.gz QSINLEUBQXCBLY-SFHVURJKSA-N 0 1 458.322 4.567 20 0 JJADMN CN(C)[C@@H](CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072332 1066896857 /nfs/dbraw/zinc/89/68/57/1066896857.db2.gz YTTBJVSRGWEUEN-PZJWPPBQSA-N 0 1 453.892 4.661 20 0 JJADMN C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448072941 1066896954 /nfs/dbraw/zinc/89/69/54/1066896954.db2.gz ZUZAREYGLQYHFY-ACJLOTCBSA-N 0 1 459.306 4.654 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)c3coc(-c4ccc(Br)cc4F)n3)[nH]c2c1 ZINC001448103369 1066900132 /nfs/dbraw/zinc/90/01/32/1066900132.db2.gz JPQJECBUBYWUHO-JTQLQIEISA-N 0 1 459.275 4.619 20 0 JJADMN COc1cccc(C(C)(C)CNC(=O)c2ccc(-n3[nH]c(Cc4ccccc4)cc3=O)cc2)c1 ZINC001457715040 1066903339 /nfs/dbraw/zinc/90/33/39/1066903339.db2.gz DETWFRUJCZDMNC-UHFFFAOYSA-N 0 1 455.558 4.738 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]ncc2C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001448286559 1066916111 /nfs/dbraw/zinc/91/61/11/1066916111.db2.gz ZDDHGVBQRFKYGX-GOSISDBHSA-N 0 1 458.990 4.807 20 0 JJADMN Cc1cc2c[nH]nc2c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(Cl)c2)c1 ZINC001448292653 1066916798 /nfs/dbraw/zinc/91/67/98/1066916798.db2.gz GVTOZZCQGSECNR-FQEVSTJZSA-N 0 1 454.958 4.959 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC001457788634 1066920579 /nfs/dbraw/zinc/92/05/79/1066920579.db2.gz MYIGKVBBWIPZFR-PGRDOPGGSA-N 0 1 455.599 4.793 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001457794490 1066922792 /nfs/dbraw/zinc/92/27/92/1066922792.db2.gz ZYXBQNYERMVAOR-DEOSSOPVSA-N 0 1 456.546 4.727 20 0 JJADMN CCOc1ccccc1-c1cc(C(=O)N2CCC(F)(c3cc(OC)cc(OC)c3)CC2)n[nH]1 ZINC001448410070 1066925410 /nfs/dbraw/zinc/92/54/10/1066925410.db2.gz KYKYHNMKTTUXGL-UHFFFAOYSA-N 0 1 453.514 4.594 20 0 JJADMN CCOc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)ccc1C ZINC001457808233 1066925406 /nfs/dbraw/zinc/92/54/06/1066925406.db2.gz DIACMYYLIPOLNN-UHFFFAOYSA-N 0 1 454.548 4.764 20 0 JJADMN CC[C@@](C)(CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1)OC ZINC001457821868 1066928082 /nfs/dbraw/zinc/92/80/82/1066928082.db2.gz IGAPCPHFZXXSSE-FQEVSTJZSA-N 0 1 459.395 4.648 20 0 JJADMN Cc1[nH]c(SCC(=O)Nc2cc([C@@H](O)c3ccccn3)ccc2C)nc1Cc1ccccc1 ZINC001457822256 1066928575 /nfs/dbraw/zinc/92/85/75/1066928575.db2.gz QOCPPAGBWHJGQG-RUZDIDTESA-N 0 1 458.587 4.825 20 0 JJADMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(CN(C)C)c2)cc1 ZINC001448537356 1066937171 /nfs/dbraw/zinc/93/71/71/1066937171.db2.gz GDXPQQIJKWMLFN-UHFFFAOYSA-N 0 1 457.983 4.763 20 0 JJADMN Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@H](c1ccsc1)N(C)C ZINC001492775970 1066946537 /nfs/dbraw/zinc/94/65/37/1066946537.db2.gz NLNBNWSPOCDNOG-RBUKOAKNSA-N 0 1 466.424 4.860 20 0 JJADMN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457956834 1066948427 /nfs/dbraw/zinc/94/84/27/1066948427.db2.gz ZNONTVZRATXTBK-FMKPAKJESA-N 0 1 453.391 4.960 20 0 JJADMN CN(C)C[C@H](NC(=O)c1cc(Br)ncc1Cl)c1cccc(C(F)(F)F)c1 ZINC001457973778 1066950281 /nfs/dbraw/zinc/95/02/81/1066950281.db2.gz LLLJDBWYRYYVCK-AWEZNQCLSA-N 0 1 450.686 4.549 20 0 JJADMN C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)[C@H](C)CN1Cc1ccccc1 ZINC001457991573 1066953623 /nfs/dbraw/zinc/95/36/23/1066953623.db2.gz HDMRYBIUCWJRGB-HZPDHXFCSA-N 0 1 451.792 4.603 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)nn3C)[nH]n2)c1C ZINC001448730081 1066954929 /nfs/dbraw/zinc/95/49/29/1066954929.db2.gz ATAJCOUFHIEYIV-GFCCVEGCSA-N 0 1 453.497 4.792 20 0 JJADMN CCCCn1ncc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1C(C)C ZINC001448847426 1066963994 /nfs/dbraw/zinc/96/39/94/1066963994.db2.gz JVCCZBUEFSLXJI-UHFFFAOYSA-N 0 1 458.559 4.999 20 0 JJADMN CCOC(=O)[C@H]1CCCN(CC(=O)N(CC)[C@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702468 1066965188 /nfs/dbraw/zinc/96/51/88/1066965188.db2.gz DADDWUBJKSBORR-YKSBVNFPSA-N 0 1 452.595 4.547 20 0 JJADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(Br)cc2nc[nH]c21 ZINC001449017511 1066977461 /nfs/dbraw/zinc/97/74/61/1066977461.db2.gz RYXRHXRYGYRKCB-IINYFYTJSA-N 0 1 453.109 4.513 20 0 JJADMN CC[C@@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001545724102 1066980289 /nfs/dbraw/zinc/98/02/89/1066980289.db2.gz LWSBQSMBRSGVRI-MRXNPFEDSA-N 0 1 490.559 4.601 20 0 JJADMN CC[C@@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1nnc(C)[nH]1)c1ccccc1 ZINC001545724102 1066980298 /nfs/dbraw/zinc/98/02/98/1066980298.db2.gz LWSBQSMBRSGVRI-MRXNPFEDSA-N 0 1 490.559 4.601 20 0 JJADMN CC1CCN(C(=S)SCC(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC001458120804 1066981157 /nfs/dbraw/zinc/98/11/57/1066981157.db2.gz SNZXTXNCEHZCIA-UHFFFAOYSA-N 0 1 451.621 4.827 20 0 JJADMN CC1CCN(C(=S)SCC(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC001458120804 1066981167 /nfs/dbraw/zinc/98/11/67/1066981167.db2.gz SNZXTXNCEHZCIA-UHFFFAOYSA-N 0 1 451.621 4.827 20 0 JJADMN Cc1ccc(-c2noc([C@H](C)NC(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725580 1066982229 /nfs/dbraw/zinc/98/22/29/1066982229.db2.gz YTBKYFSUPJLLHT-QFBILLFUSA-N 0 1 458.484 4.519 20 0 JJADMN O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1)c1cccn(C2CC2)c1=O ZINC001449135507 1066985140 /nfs/dbraw/zinc/98/51/40/1066985140.db2.gz UISJHFSFVZPANY-UHFFFAOYSA-N 0 1 458.301 4.700 20 0 JJADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001458143062 1066986793 /nfs/dbraw/zinc/98/67/93/1066986793.db2.gz PHHODXPQNZJLOI-UHFFFAOYSA-N 0 1 457.378 4.851 20 0 JJADMN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001458142773 1066986897 /nfs/dbraw/zinc/98/68/97/1066986897.db2.gz OJJANBFMNDWXNE-UHFFFAOYSA-N 0 1 456.218 4.564 20 0 JJADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC001458143134 1066987107 /nfs/dbraw/zinc/98/71/07/1066987107.db2.gz PMMNMIRCKZYUPR-UHFFFAOYSA-N 0 1 451.470 4.697 20 0 JJADMN Cc1ccc2[nH]c(C(=O)NCCc3nnc(-c4ccc(Cl)cc4)[nH]3)cc2c1Br ZINC001449258881 1066993122 /nfs/dbraw/zinc/99/31/22/1066993122.db2.gz GOKBLAFJLXKMGM-UHFFFAOYSA-N 0 1 458.747 4.650 20 0 JJADMN CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)C1)N1CCOCC1 ZINC001545735530 1066998911 /nfs/dbraw/zinc/99/89/11/1066998911.db2.gz CMNOESFOEITHDA-NQHRYMMQSA-N 0 1 453.675 4.803 20 0 JJADMN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC001449366174 1067004350 /nfs/dbraw/zinc/00/43/50/1067004350.db2.gz YDJWHGGHLIZWBK-UKILVPOCSA-N 0 1 459.055 4.876 20 0 JJADMN CC[C@H](c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN(CC)CCC(F)(F)F)c1ccccc1 ZINC001545743056 1067009270 /nfs/dbraw/zinc/00/92/70/1067009270.db2.gz CTZQGHWSKRPXLY-XUZZJYLKSA-N 0 1 479.591 4.711 20 0 JJADMN O=C(NC[C@H](c1nc[nH]n1)c1ccccc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001449461844 1067009951 /nfs/dbraw/zinc/00/99/51/1067009951.db2.gz UJSXVQQWDRSXKB-KRWDZBQOSA-N 0 1 458.465 4.994 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H](c1ccsc1)N(C)C)c1ccccc1 ZINC001545745461 1067011948 /nfs/dbraw/zinc/01/19/48/1067011948.db2.gz BKCBTSGYIDOITI-MDNUFGMLSA-N 0 1 481.666 4.574 20 0 JJADMN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC001449570318 1067015266 /nfs/dbraw/zinc/01/52/66/1067015266.db2.gz ADBWZNAPLNEEDI-GOSISDBHSA-N 0 1 456.505 4.909 20 0 JJADMN CCC[C@@H]1CN(C(=O)[C@@H](OC)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001458273333 1067018149 /nfs/dbraw/zinc/01/81/49/1067018149.db2.gz CHFZUGPKNQEWOU-XLIONFOSSA-N 0 1 451.430 4.711 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@H](C)C1)N1CCOCC1 ZINC001545751738 1067025453 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FDQRHYSJEJUSLE-OFNKIYASSA-N 0 1 475.628 4.802 20 0 JJADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC001449967329 1067039242 /nfs/dbraw/zinc/03/92/42/1067039242.db2.gz BTSLDNZSNNTOOG-HNNXBMFYSA-N 0 1 456.999 4.764 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758765 1067039796 /nfs/dbraw/zinc/03/97/96/1067039796.db2.gz MILWMVTXBXSJAP-ZEQRLZLVSA-N 0 1 453.675 4.947 20 0 JJADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001449979891 1067039908 /nfs/dbraw/zinc/03/99/08/1067039908.db2.gz NXWYUIANJRUMQL-QLPFJNHISA-N 0 1 459.937 4.602 20 0 JJADMN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001449988033 1067040052 /nfs/dbraw/zinc/04/00/52/1067040052.db2.gz XTJIRSRTVMTPSF-STQMWFEESA-N 0 1 455.971 4.706 20 0 JJADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001449987748 1067040389 /nfs/dbraw/zinc/04/03/89/1067040389.db2.gz WKYAEUPAFLPJOX-LBPRGKRZSA-N 0 1 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ZINC001452260844 1067216755 /nfs/dbraw/zinc/21/67/55/1067216755.db2.gz NKPDWGVZPMJNTN-UHFFFAOYSA-N 0 1 457.935 4.993 20 0 JJADMN COc1ccc(Cl)cc1-c1cc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)n[nH]1 ZINC001452334699 1067219830 /nfs/dbraw/zinc/21/98/30/1067219830.db2.gz IKLQPGDWSUUFBN-UHFFFAOYSA-N 0 1 459.840 4.983 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001546105714 1067233199 /nfs/dbraw/zinc/23/31/99/1067233199.db2.gz TVIQDKOMTTUMSF-BHIYHBOVSA-N 0 1 458.580 4.747 20 0 JJADMN COc1cccc2c1OCC[C@H]2NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001452648083 1067240236 /nfs/dbraw/zinc/24/02/36/1067240236.db2.gz JTYSKJWGHDGEHK-MRXNPFEDSA-N 0 1 458.923 4.622 20 0 JJADMN COc1ccc(-c2n[nH]c(SCC(=O)Cc3ccccc3Cl)n2)cc1Br ZINC001459068359 1067243259 /nfs/dbraw/zinc/24/32/59/1067243259.db2.gz HCTCRTILCVZOIB-UHFFFAOYSA-N 0 1 452.761 4.800 20 0 JJADMN Cc1cc(C)c(C(=O)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001452690656 1067244315 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/nfs/dbraw/zinc/25/71/83/1067257183.db2.gz DEFBAZYEGKUCLY-QGZVFWFLSA-N 0 1 452.555 4.769 20 0 JJADMN CCOC(=O)C1C(CS[C@H]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459161815 1067263958 /nfs/dbraw/zinc/26/39/58/1067263958.db2.gz BISLDKJRDRWQJA-UGKGYDQZSA-N 0 1 456.995 4.802 20 0 JJADMN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncc(Br)cc1O ZINC001452997129 1067272782 /nfs/dbraw/zinc/27/27/82/1067272782.db2.gz KQCQQMCKXIQKJS-GOSISDBHSA-N 0 1 459.262 4.686 20 0 JJADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001453267639 1067292353 /nfs/dbraw/zinc/29/23/53/1067292353.db2.gz VSKYYCYXNDUTRZ-UHFFFAOYSA-N 0 1 454.493 4.625 20 0 JJADMN CCOC(=O)c1c(NC(=O)CN(C)CCCc2ccc(OC)cc2)sc2c1CC[C@H](C)C2 ZINC001459348403 1067300140 /nfs/dbraw/zinc/30/01/40/1067300140.db2.gz JHMAAXWINIZTLQ-KRWDZBQOSA-N 0 1 458.624 4.561 20 0 JJADMN CCOC(=O)c1c(NC(=O)CN(C)CCCc2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC001459348407 1067300253 /nfs/dbraw/zinc/30/02/53/1067300253.db2.gz JHMAAXWINIZTLQ-QGZVFWFLSA-N 0 1 458.624 4.561 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@@H](c4cccc(F)c4)OCC3(C)C)n[nH]2)c1C ZINC001453480016 1067308127 /nfs/dbraw/zinc/30/81/27/1067308127.db2.gz RWYOZAGCTHEZAQ-NYHFZMIOSA-N 0 1 453.562 4.992 20 0 JJADMN CC(C)[C@H]1CN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CCN1Cc1ccccc1 ZINC001453496722 1067309595 /nfs/dbraw/zinc/30/95/95/1067309595.db2.gz NVIALTXBMLWMRQ-XMMPIXPASA-N 0 1 451.611 4.945 20 0 JJADMN CC(C)[C@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001453495256 1067309669 /nfs/dbraw/zinc/30/96/69/1067309669.db2.gz KSIMVKDXFHIUBT-RPWUZVMVSA-N 0 1 451.611 4.621 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)Cn2c3ccccc3nc2SC(F)F)CCN1Cc1ccccc1 ZINC001453498374 1067309823 /nfs/dbraw/zinc/30/98/23/1067309823.db2.gz SVNCYKFYAUVAJW-NRFANRHFSA-N 0 1 458.578 4.720 20 0 JJADMN CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453680406 1067321738 /nfs/dbraw/zinc/32/17/38/1067321738.db2.gz JAIIOVLPORTLBF-QRQLOZEOSA-N 0 1 468.903 4.561 20 0 JJADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCC[C@H](C2CCC2)C1 ZINC001453686974 1067322667 /nfs/dbraw/zinc/32/26/67/1067322667.db2.gz YQQSRWBQFWYBRN-KRWDZBQOSA-N 0 1 450.963 4.932 20 0 JJADMN C[C@](CO)(NC(=O)C(F)(F)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001453690491 1067322691 /nfs/dbraw/zinc/32/26/91/1067322691.db2.gz AXFVKFUFBIGWJN-MRXNPFEDSA-N 0 1 452.217 4.584 20 0 JJADMN COc1cc2[nH]cc(C(=O)N(Cc3ccccc3)[C@H](C)Cc3ccccc3)c(=O)c2c(OC)c1 ZINC001453829253 1067331441 /nfs/dbraw/zinc/33/14/41/1067331441.db2.gz XCQKHTJGKNQWKN-LJQANCHMSA-N 0 1 456.542 4.819 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc4cc(Cl)c(F)cc4[nH]3)cc2)cc1 ZINC001453898334 1067334889 /nfs/dbraw/zinc/33/48/89/1067334889.db2.gz BXRVYXBLUZFTJE-UHFFFAOYSA-N 0 1 458.902 4.717 20 0 JJADMN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CC[C@H](Cc2ccccc2)C1 ZINC001459538322 1067347365 /nfs/dbraw/zinc/34/73/65/1067347365.db2.gz DVVMCFQGUUQONJ-LJQANCHMSA-N 0 1 451.592 4.593 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[C@H](O)c2ccccc21 ZINC001459546342 1067348688 /nfs/dbraw/zinc/34/86/88/1067348688.db2.gz WANUUDOIPFUZIT-JKFKMHIGSA-N 0 1 454.542 4.578 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[C@@H](O)c2ccccc21 ZINC001459546346 1067348725 /nfs/dbraw/zinc/34/87/25/1067348725.db2.gz WANUUDOIPFUZIT-OEOAZWSVSA-N 0 1 454.542 4.578 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561071 1067351872 /nfs/dbraw/zinc/35/18/72/1067351872.db2.gz CEYSZFLXEUSPCS-FYYLOGMGSA-N 0 1 456.428 4.507 20 0 JJADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582207 1067356260 /nfs/dbraw/zinc/35/62/60/1067356260.db2.gz MPJCRVJWIWUVOX-DOTOQJQBSA-N 0 1 456.484 4.758 20 0 JJADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001459605928 1067361066 /nfs/dbraw/zinc/36/10/66/1067361066.db2.gz DWLLZZFTSVJMSB-DEOSSOPVSA-N 0 1 451.014 4.986 20 0 JJADMN Cc1cc(NC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611886 1067363556 /nfs/dbraw/zinc/36/35/56/1067363556.db2.gz YTSTVFXNNKGQGR-LEWJYISDSA-N 0 1 456.587 4.688 20 0 JJADMN CC[C@@H]1CN(Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001459627877 1067367916 /nfs/dbraw/zinc/36/79/16/1067367916.db2.gz PPVUYANZXZJFEY-KNQAVFIVSA-N 0 1 454.640 4.609 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCC(Nc3ccccc3Cl)CC2)cc1OC ZINC001459663672 1067375325 /nfs/dbraw/zinc/37/53/25/1067375325.db2.gz OTLYHZLNLCCRAG-JOCHJYFZSA-N 0 1 458.002 4.597 20 0 JJADMN CCOC(=O)C1=C(CN[C@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@@H]1c1ccco1 ZINC001459685608 1067383125 /nfs/dbraw/zinc/38/31/25/1067383125.db2.gz PHQXOJMHJVRFEE-BJKOFHAPSA-N 0 1 453.583 4.636 20 0 JJADMN Cc1ccc(CN(C(=O)CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687414 1067383941 /nfs/dbraw/zinc/38/39/41/1067383941.db2.gz PUQMHQVPYDKXRA-ZEQRLZLVSA-N 0 1 455.643 4.740 20 0 JJADMN Cn1nc(CCC[N@@H+](C)Cc2cc(=O)oc3cc([O-])c(Cl)cc23)cc1-c1ccc(F)cc1 ZINC001459707605 1067389902 /nfs/dbraw/zinc/38/99/02/1067389902.db2.gz KQQUKEUZAAMWPC-UHFFFAOYSA-N 0 1 455.917 4.756 20 0 JJADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccccc1Oc1cccc(Br)c1 ZINC001459709344 1067390955 /nfs/dbraw/zinc/39/09/55/1067390955.db2.gz IGHOEPXYGZABNU-KRWDZBQOSA-N 0 1 459.384 4.567 20 0 JJADMN COc1ccc(-c2nc(CN(C)C3CCN(C(=O)c4ccccc4)CC3)cs2)c(OC)c1 ZINC001459736923 1067399853 /nfs/dbraw/zinc/39/98/53/1067399853.db2.gz OXISKEVPOXZVOH-UHFFFAOYSA-N 0 1 451.592 4.564 20 0 JJADMN O=C(CN(Cc1cccc(F)c1)C1CCCC1)Nc1ccc(I)cc1 ZINC001459739497 1067400396 /nfs/dbraw/zinc/40/03/96/1067400396.db2.gz IXUPTDYBTYXPRC-UHFFFAOYSA-N 0 1 452.311 4.814 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC(OCc3ccccc3F)CC2)[C@@H](O)c2ccccc21 ZINC001459771999 1067416076 /nfs/dbraw/zinc/41/60/76/1067416076.db2.gz BLMWRHTVWSEFTD-ZEQRLZLVSA-N 0 1 456.558 4.664 20 0 JJADMN CCCOc1cccc(CNC(=O)CN2CCC(C)(c3cccc(Br)c3)CC2)c1 ZINC001459774803 1067416790 /nfs/dbraw/zinc/41/67/90/1067416790.db2.gz ALTCGCIMCYCPDW-UHFFFAOYSA-N 0 1 459.428 4.908 20 0 JJADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC(C)(c3cccc(Br)c3)CC2)c1 ZINC001459782247 1067419019 /nfs/dbraw/zinc/41/90/19/1067419019.db2.gz WLUYGADXTIVIDC-MRXNPFEDSA-N 0 1 458.400 4.788 20 0 JJADMN O[C@@H](COc1ccccc1C(F)(F)F)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790041 1067423312 /nfs/dbraw/zinc/42/33/12/1067423312.db2.gz ZKKJHUSHDZXZJE-CHWSQXEVSA-N 0 1 454.436 4.800 20 0 JJADMN O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1cccc(Br)c1 ZINC001459795344 1067427630 /nfs/dbraw/zinc/42/76/30/1067427630.db2.gz GHBJPMCMIKUIKZ-UHFFFAOYSA-N 0 1 456.306 4.619 20 0 JJADMN Cc1ccc(N(C)[C@H]2CCCN(CC(=O)NCc3ccccc3COc3ccccc3)C2)cc1 ZINC001459816054 1067435954 /nfs/dbraw/zinc/43/59/54/1067435954.db2.gz FCVSUGFFCNAMFL-MHZLTWQESA-N 0 1 457.618 4.791 20 0 JJADMN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C[C@@H](O)c1cc(OC)ccc1OC ZINC001459819661 1067437588 /nfs/dbraw/zinc/43/75/88/1067437588.db2.gz IMZBUSQOPPUMEZ-SIKLNZKXSA-N 0 1 452.517 4.747 20 0 JJADMN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C[C@H](O)c1cc(OC)ccc1OC ZINC001459819657 1067437698 /nfs/dbraw/zinc/43/76/98/1067437698.db2.gz IMZBUSQOPPUMEZ-KNQAVFIVSA-N 0 1 452.517 4.747 20 0 JJADMN C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001459823449 1067440192 /nfs/dbraw/zinc/44/01/92/1067440192.db2.gz ASXGHUGSXXGTTR-UONOGXRCSA-N 0 1 454.373 4.771 20 0 JJADMN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001459827104 1067441170 /nfs/dbraw/zinc/44/11/70/1067441170.db2.gz PUHNHXOAIUJCBE-KRWDZBQOSA-N 0 1 451.995 4.952 20 0 JJADMN CCOC(=O)C1=C(CN[C@H](c2ccccc2C)C2CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833194 1067444756 /nfs/dbraw/zinc/44/47/56/1067444756.db2.gz JFGCIULODKPBAY-GOTSBHOMSA-N 0 1 453.970 4.560 20 0 JJADMN CC[C@H](N[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837885 1067446833 /nfs/dbraw/zinc/44/68/33/1067446833.db2.gz WNZCCNIOEGBOEZ-ACJLOTCBSA-N 0 1 459.518 4.927 20 0 JJADMN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843957 1067450546 /nfs/dbraw/zinc/45/05/46/1067450546.db2.gz YVADTEZDBSFYFJ-HRAATJIYSA-N 0 1 458.400 4.871 20 0 JJADMN CN(C)c1ncc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC001459848971 1067454048 /nfs/dbraw/zinc/45/40/48/1067454048.db2.gz VOWFWWBHHAOZRO-JOCHJYFZSA-N 0 1 456.512 4.773 20 0 JJADMN CCOC(=O)C1=C(CN[C@@H](c2ccccc2C)C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459850084 1067454977 /nfs/dbraw/zinc/45/49/77/1067454977.db2.gz NASRGFJXJXYMMQ-DHIUTWEWSA-N 0 1 455.986 4.806 20 0 JJADMN CC[C@@H](C)[C@@H](NCC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850857 1067456189 /nfs/dbraw/zinc/45/61/89/1067456189.db2.gz OLJDDRKVUWPTGM-KBMIEXCESA-N 0 1 456.030 4.764 20 0 JJADMN COC(=O)c1ccc2c(c1)nc(CN(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869826 1067466352 /nfs/dbraw/zinc/46/63/52/1067466352.db2.gz MQSVYGILOLWFOH-FXAWDEMLSA-N 0 1 459.468 4.909 20 0 JJADMN CCC[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(C(F)(F)F)c1 ZINC001459876449 1067469371 /nfs/dbraw/zinc/46/93/71/1067469371.db2.gz HSFFFGBXXFLLAS-MRXNPFEDSA-N 0 1 453.530 4.814 20 0 JJADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)NC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC001459898287 1067478673 /nfs/dbraw/zinc/47/86/73/1067478673.db2.gz CDAZCPAJFAZCHK-INIZCTEOSA-N 0 1 452.580 4.743 20 0 JJADMN COc1ccc2oc([C@@H](C)NCC(=O)NCCc3ccc(OC(F)(F)F)cc3)c(C)c2c1 ZINC001459901031 1067480403 /nfs/dbraw/zinc/48/04/03/1067480403.db2.gz FHMQQEFGJQXMCB-OAHLLOKOSA-N 0 1 450.457 4.658 20 0 JJADMN COc1ccc2oc([C@@H](C)NCCS(=O)(=O)c3cccc(Br)c3)c(C)c2c1 ZINC001459907143 1067483656 /nfs/dbraw/zinc/48/36/56/1067483656.db2.gz XZXPKMQVBIAKMJ-CQSZACIVSA-N 0 1 452.370 4.637 20 0 JJADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459909856 1067485055 /nfs/dbraw/zinc/48/50/55/1067485055.db2.gz ZFODAYAIGLMAAO-IEBWSBKVSA-N 0 1 452.599 4.646 20 0 JJADMN C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001459910001 1067485073 /nfs/dbraw/zinc/48/50/73/1067485073.db2.gz UCPPYOMDCJUSTD-ASHZAFPQSA-N 0 1 451.611 4.738 20 0 JJADMN CC[C@H]1CN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918253 1067490315 /nfs/dbraw/zinc/49/03/15/1067490315.db2.gz XJLAEZCFRCIOFO-ZEQRLZLVSA-N 0 1 459.556 4.793 20 0 JJADMN COC(=O)c1ccc(-c2nc(CN[C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)cc1 ZINC001460024334 1067532158 /nfs/dbraw/zinc/53/21/58/1067532158.db2.gz INFCBAXKVRNXAM-FQEVSTJZSA-N 0 1 459.612 4.770 20 0 JJADMN C[C@H]1CCc2c(sc3nc(CN[C@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024538 1067532279 /nfs/dbraw/zinc/53/22/79/1067532279.db2.gz XAMLXLBOBVSQLO-YOEHRIQHSA-N 0 1 459.660 4.524 20 0 JJADMN CCCc1ncc(CNC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)o1 ZINC001460030194 1067534117 /nfs/dbraw/zinc/53/41/17/1067534117.db2.gz AYUZEOCIDFZKOF-UHFFFAOYSA-N 0 1 457.193 4.696 20 0 JJADMN CC1(c2ccc(Cl)cc2)CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001460055673 1067540585 /nfs/dbraw/zinc/54/05/85/1067540585.db2.gz AUHFWTTXGNQQCS-UHFFFAOYSA-N 0 1 454.920 4.951 20 0 JJADMN CC1(c2ccc(Cl)cc2)CCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC001460056832 1067540919 /nfs/dbraw/zinc/54/09/19/1067540919.db2.gz GBILXSSHNIXHGE-UHFFFAOYSA-N 0 1 454.920 4.908 20 0 JJADMN CCOC(=O)c1cnn(C2CCN(Cc3cc(Br)cc4cccnc43)CC2)c1C ZINC001460081356 1067548857 /nfs/dbraw/zinc/54/88/57/1067548857.db2.gz GAIJWOXKTAUVEF-UHFFFAOYSA-N 0 1 457.372 4.516 20 0 JJADMN O=C(CCCc1ccccc1)N[C@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001460083769 1067549289 /nfs/dbraw/zinc/54/92/89/1067549289.db2.gz VZELAMQVENHJTA-QFIPXVFZSA-N 0 1 452.986 4.536 20 0 JJADMN CC(C)c1ccc(CN(C(=O)CN[C@](C)(CO)c2ccc(Br)cc2)C2CC2)cc1 ZINC001460090506 1067552244 /nfs/dbraw/zinc/55/22/44/1067552244.db2.gz PPRZMPTUEXQJPR-XMMPIXPASA-N 0 1 459.428 4.561 20 0 JJADMN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)cc1 ZINC001460094667 1067552995 /nfs/dbraw/zinc/55/29/95/1067552995.db2.gz LXYUBSHLFYOUQX-MDKPJZGXSA-N 0 1 472.427 4.730 20 0 JJADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110534 1067556926 /nfs/dbraw/zinc/55/69/26/1067556926.db2.gz PLWRPNAPQJRLTD-FHWLQOOXSA-N 0 1 450.023 4.944 20 0 JJADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110545 1067557084 /nfs/dbraw/zinc/55/70/84/1067557084.db2.gz PLWRPNAPQJRLTD-OTWHNJEPSA-N 0 1 450.023 4.944 20 0 JJADMN Cc1cc(Br)ccc1CN1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001460116561 1067558650 /nfs/dbraw/zinc/55/86/50/1067558650.db2.gz WOXSRVRBNPFQSZ-UXHICEINSA-N 0 1 453.421 4.652 20 0 JJADMN Ic1cccc(C[C@@H]2CCN(Cc3nccn3Cc3ccccc3)C2)c1 ZINC001460135751 1067562042 /nfs/dbraw/zinc/56/20/42/1067562042.db2.gz NVLNJHLKIQWQMU-FQEVSTJZSA-N 0 1 457.359 4.601 20 0 JJADMN O=C(CN[C@H](CCO)c1cccc(C(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143081 1067563788 /nfs/dbraw/zinc/56/37/88/1067563788.db2.gz VKDDQFIZNYGKBO-FYYLOGMGSA-N 0 1 452.492 4.905 20 0 JJADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157906 1067566773 /nfs/dbraw/zinc/56/67/73/1067566773.db2.gz NLGVZFCKYRAHPP-RTBURBONSA-N 0 1 450.023 4.946 20 0 JJADMN COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171829 1067569759 /nfs/dbraw/zinc/56/97/59/1067569759.db2.gz BNRGCUQDQCTNGQ-HOTGVXAUSA-N 0 1 455.580 4.822 20 0 JJADMN COC(=O)c1c(C)c(C)sc1NC(=O)CNC(C)(C)c1ccc(Br)c(C)c1 ZINC001460175430 1067570921 /nfs/dbraw/zinc/57/09/21/1067570921.db2.gz NIOUJTQEMOIFDR-UHFFFAOYSA-N 0 1 453.402 4.686 20 0 JJADMN O=C(NC1CCCCC1)OC[C@@H]1CCCCN1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001460197549 1067576773 /nfs/dbraw/zinc/57/67/73/1067576773.db2.gz NPRMNTQICQNPIQ-FQEVSTJZSA-N 0 1 451.007 4.957 20 0 JJADMN Cc1cc(C)cc(OCCN(C)C(=O)CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC001460216336 1067581404 /nfs/dbraw/zinc/58/14/04/1067581404.db2.gz RSZYQSFIAHAVMB-HSZRJFAPSA-N 0 1 455.002 4.898 20 0 JJADMN Cc1cc(C)cc(OCCN(C)C(=O)CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC001460216338 1067581685 /nfs/dbraw/zinc/58/16/85/1067581685.db2.gz RSZYQSFIAHAVMB-QHCPKHFHSA-N 0 1 455.002 4.898 20 0 JJADMN COC(=O)[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001460221455 1067582995 /nfs/dbraw/zinc/58/29/95/1067582995.db2.gz KICSRKLTVSFZBZ-ISJGIBHGSA-N 0 1 452.957 4.951 20 0 JJADMN C[C@@H](NC(=O)CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460237192 1067587437 /nfs/dbraw/zinc/58/74/37/1067587437.db2.gz XPISVFNGOXDSGZ-OAHLLOKOSA-N 0 1 456.455 4.995 20 0 JJADMN COc1ccc([C@H](O)CN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@H](C)Cc2ccccc2)cc1 ZINC001460238561 1067587696 /nfs/dbraw/zinc/58/76/96/1067587696.db2.gz IVQJASRLGWDRJY-BVZBTYANSA-N 0 1 452.639 4.699 20 0 JJADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001460240535 1067589037 /nfs/dbraw/zinc/58/90/37/1067589037.db2.gz LTMXLYJYNHGKRD-SJORKVTESA-N 0 1 456.562 4.622 20 0 JJADMN CC(C)(C)OC(=O)CC[C@@H]1CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260980 1067592835 /nfs/dbraw/zinc/59/28/35/1067592835.db2.gz XLIBBJODNADTBE-QFBILLFUSA-N 0 1 456.505 4.524 20 0 JJADMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274737 1067595788 /nfs/dbraw/zinc/59/57/88/1067595788.db2.gz YTSFCYXSQOLIIW-GOEBONIOSA-N 0 1 457.571 4.733 20 0 JJADMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274737 1067595791 /nfs/dbraw/zinc/59/57/91/1067595791.db2.gz YTSFCYXSQOLIIW-GOEBONIOSA-N 0 1 457.571 4.733 20 0 JJADMN OCC[C@H](NCc1ccc(OCc2ccccc2F)nc1)c1cccc(OC(F)(F)F)c1 ZINC001460292043 1067600026 /nfs/dbraw/zinc/60/00/26/1067600026.db2.gz NCVUYTLURIPTLS-NRFANRHFSA-N 0 1 450.432 4.912 20 0 JJADMN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1C ZINC001460308077 1067604334 /nfs/dbraw/zinc/60/43/34/1067604334.db2.gz MQCQTKHJUDWUEI-DXIQSLLYSA-N 0 1 455.599 4.723 20 0 JJADMN COC(=O)[C@@H]1CN([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1c1ccc(O)cc1 ZINC001460308763 1067604642 /nfs/dbraw/zinc/60/46/42/1067604642.db2.gz RJGGIFLMZOCKFV-OCBCSQNSSA-N 0 1 462.333 4.699 20 0 JJADMN Cc1ccc(Br)nc1C(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC001460325332 1067608553 /nfs/dbraw/zinc/60/85/53/1067608553.db2.gz MUORHXYJAAQOIN-OAQYLSRUSA-N 0 1 458.444 4.958 20 0 JJADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356992 1067616920 /nfs/dbraw/zinc/61/69/20/1067616920.db2.gz UDNUPTBCAZMSTH-NQIIRXRSSA-N 0 1 455.624 4.535 20 0 JJADMN COC(=O)c1ccc(-c2nc(CN[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)co2)cc1 ZINC001460370279 1067620455 /nfs/dbraw/zinc/62/04/55/1067620455.db2.gz UIAUBHJOGXYPFU-HXUWFJFHSA-N 0 1 455.555 4.540 20 0 JJADMN COC(=O)c1oc([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1C ZINC001460389273 1067624563 /nfs/dbraw/zinc/62/45/63/1067624563.db2.gz JYFOVQMIEZVCIY-NSISKUIASA-N 0 1 460.546 4.958 20 0 JJADMN COc1ccccc1-c1nnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001460411865 1067630106 /nfs/dbraw/zinc/63/01/06/1067630106.db2.gz SGNWZEVXGSPDFS-LJQANCHMSA-N 0 1 456.587 4.604 20 0 JJADMN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413015 1067630181 /nfs/dbraw/zinc/63/01/81/1067630181.db2.gz UDOVNMUFFQQLEB-AEFFLSMTSA-N 0 1 451.558 4.651 20 0 JJADMN Cc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccccc2)[C@@H](C)Cc2ccccc2)c(C)c1 ZINC001460478573 1067641764 /nfs/dbraw/zinc/64/17/64/1067641764.db2.gz MFWNNWQLJLCUOU-DEOSSOPVSA-N 0 1 457.618 4.800 20 0 JJADMN CCOC(=O)c1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482107 1067642840 /nfs/dbraw/zinc/64/28/40/1067642840.db2.gz SLAYXNWBJGLWNT-HZPDHXFCSA-N 0 1 456.608 4.806 20 0 JJADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC(Oc4cccc(F)c4)CC3)ccc2c1 ZINC001460490847 1067644765 /nfs/dbraw/zinc/64/47/65/1067644765.db2.gz OTJJNORKFVVVFY-IBGZPJMESA-N 0 1 450.554 4.878 20 0 JJADMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001460625000 1067676891 /nfs/dbraw/zinc/67/68/91/1067676891.db2.gz BJWQINXNOGIKQU-ACBODKPCSA-N 0 1 452.782 4.621 20 0 JJADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2nc3ccccc3cc2Br)c1 ZINC001460639283 1067681632 /nfs/dbraw/zinc/68/16/32/1067681632.db2.gz JNFDOEOIKRWSCU-UHFFFAOYSA-N 0 1 455.356 4.530 20 0 JJADMN COc1ccc(NC(=O)CN2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 ZINC001460643715 1067683750 /nfs/dbraw/zinc/68/37/50/1067683750.db2.gz IBJGUMPNYOATIJ-JOCHJYFZSA-N 0 1 454.464 4.897 20 0 JJADMN COc1cc(-c2noc(CN3CCC[C@@]3(C)Cc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC001460646776 1067684591 /nfs/dbraw/zinc/68/45/91/1067684591.db2.gz RRULBWVTOGIERB-DEOSSOPVSA-N 0 1 459.493 4.638 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3ccc4c(c3)OC(F)(F)O4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652630 1067687909 /nfs/dbraw/zinc/68/79/09/1067687909.db2.gz VDCXFCZYVBWGBN-RBUKOAKNSA-N 0 1 462.493 4.509 20 0 JJADMN CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)s1 ZINC001460658996 1067691452 /nfs/dbraw/zinc/69/14/52/1067691452.db2.gz GNCBVKPORZGDJA-HXUWFJFHSA-N 0 1 456.633 4.998 20 0 JJADMN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NCCC(=O)N2CCOc3ccccc32)C1(C)C ZINC001460695204 1067703751 /nfs/dbraw/zinc/70/37/51/1067703751.db2.gz ODPKMLWUMOFPKR-HSZRJFAPSA-N 0 1 451.567 4.667 20 0 JJADMN CC(C)(C)OC(=O)N1c2ccccc2[C@H](NCCC(=O)N2CCOc3ccccc32)C1(C)C ZINC001460695208 1067703809 /nfs/dbraw/zinc/70/38/09/1067703809.db2.gz ODPKMLWUMOFPKR-QHCPKHFHSA-N 0 1 451.567 4.667 20 0 JJADMN CN(CC(=O)Nc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001460704395 1067705383 /nfs/dbraw/zinc/70/53/83/1067705383.db2.gz DNWBNWNLTIILBF-UHFFFAOYSA-N 0 1 454.409 4.547 20 0 JJADMN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C[C@@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713939 1067707297 /nfs/dbraw/zinc/70/72/97/1067707297.db2.gz USFFNROARTWBHV-MAUKXSAKSA-N 0 1 453.004 4.922 20 0 JJADMN O=C(NCc1ccc2cncn2c1)c1cccnc1SCc1cccc(Br)c1 ZINC001460745402 1067713981 /nfs/dbraw/zinc/71/39/81/1067713981.db2.gz OXOKZGMSTRSKTE-UHFFFAOYSA-N 0 1 453.365 4.714 20 0 JJADMN O=C1[C@@H](N[C@@H]2CCOc3ccc(Br)cc32)CCN1c1ccc(C(F)(F)F)cc1 ZINC001460746344 1067714400 /nfs/dbraw/zinc/71/44/00/1067714400.db2.gz AIRVKTWBBUXFPJ-SJORKVTESA-N 0 1 455.274 4.687 20 0 JJADMN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(OC(F)F)c(F)c1 ZINC001460758576 1067718018 /nfs/dbraw/zinc/71/80/18/1067718018.db2.gz BABPBQXXXPJULJ-RBBKRZOGSA-N 0 1 458.455 4.964 20 0 JJADMN CS(=O)(=O)c1cc(C(=O)N(CCCN2CCCC2)c2ccc(Cl)cc2)ccc1Cl ZINC001460791723 1067724069 /nfs/dbraw/zinc/72/40/69/1067724069.db2.gz GFJUSJBTVUSBMQ-UHFFFAOYSA-N 0 1 455.407 4.530 20 0 JJADMN CCC1(CC)CN(c2nnc(CCCc3ccccc3)n2CCN2CCSCC2)CCS1 ZINC001546119382 1067731815 /nfs/dbraw/zinc/73/18/15/1067731815.db2.gz AEYYCNGXTZRBJL-UHFFFAOYSA-N 0 1 473.756 4.614 20 0 JJADMN OC[C@@H]1COc2ccccc2[C@@H]1NCc1cc(Br)c(Cl)c(Br)c1 ZINC001460921321 1067748401 /nfs/dbraw/zinc/74/84/01/1067748401.db2.gz DZXHDSBLGKYLLS-PIGZYNQJSA-N 0 1 461.581 4.697 20 0 JJADMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@H]1C ZINC001460936899 1067750858 /nfs/dbraw/zinc/75/08/58/1067750858.db2.gz HTWIYIBXTSPYQT-SPNRKGSLSA-N 0 1 454.636 4.520 20 0 JJADMN CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989523 1067758603 /nfs/dbraw/zinc/75/86/03/1067758603.db2.gz WWIDBGXIGHBQJW-RDJZCZTQSA-N 0 1 458.430 4.892 20 0 JJADMN COc1cc(CNCc2cnc3ccc(Br)cn23)ccc1OCc1ccccc1 ZINC001461022526 1067763710 /nfs/dbraw/zinc/76/37/10/1067763710.db2.gz KXYBCHYTBKYBDW-UHFFFAOYSA-N 0 1 452.352 4.974 20 0 JJADMN C[C@@H]1CN([C@@H](CNCc2c(F)cccc2Br)c2c(F)cccc2Cl)CCO1 ZINC001461050638 1067770002 /nfs/dbraw/zinc/77/00/02/1067770002.db2.gz LVIYVQREYRULPH-YJYMSZOUSA-N 0 1 459.762 4.932 20 0 JJADMN Cc1cc(Br)c(CNCc2ccc(N3CCCC3=O)cc2)cc1Br ZINC001461077888 1067777333 /nfs/dbraw/zinc/77/73/33/1067777333.db2.gz BSRCOOSJMADGAB-UHFFFAOYSA-N 0 1 452.190 4.937 20 0 JJADMN O[C@](CNCc1ccc(Br)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461145524 1067788717 /nfs/dbraw/zinc/78/87/17/1067788717.db2.gz CULOFMIILWMGIZ-OAHLLOKOSA-N 0 1 453.096 4.751 20 0 JJADMN Fc1ccc(-c2nc(CCNCc3c(Br)cncc3Br)co2)cc1 ZINC001461174157 1067792628 /nfs/dbraw/zinc/79/26/28/1067792628.db2.gz OLYUOMAVBMSVFO-UHFFFAOYSA-N 0 1 455.125 4.733 20 0 JJADMN O=C(NCc1ccncc1)Nc1cccc(CNCc2ccccc2OCc2ccncc2)c1 ZINC001461190624 1067796377 /nfs/dbraw/zinc/79/63/77/1067796377.db2.gz RKNOYXFIAVVBAK-UHFFFAOYSA-N 0 1 453.546 4.667 20 0 JJADMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC001461225134 1067804025 /nfs/dbraw/zinc/80/40/25/1067804025.db2.gz MLDUXNVDNAAPSH-KNQAVFIVSA-N 0 1 457.571 4.558 20 0 JJADMN C[C@@H](NCc1cccc(F)c1I)[C@@H](O)c1c(Cl)cccc1Cl ZINC001461240091 1067807353 /nfs/dbraw/zinc/80/73/53/1067807353.db2.gz SQCFQXQXVBPJKJ-JDNHERCYSA-N 0 1 454.110 4.949 20 0 JJADMN C[C@H](NCc1cccc(F)c1I)[C@@H](O)c1c(Cl)cccc1Cl ZINC001461240093 1067807441 /nfs/dbraw/zinc/80/74/41/1067807441.db2.gz SQCFQXQXVBPJKJ-XXFAHNHDSA-N 0 1 454.110 4.949 20 0 JJADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001461254008 1067810972 /nfs/dbraw/zinc/81/09/72/1067810972.db2.gz SBRLVGINMZXFMT-JOCHJYFZSA-N 0 1 453.384 4.537 20 0 JJADMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC001461260402 1067812933 /nfs/dbraw/zinc/81/29/33/1067812933.db2.gz GFYVEUOSSULTKS-CJNGLKHVSA-N 0 1 450.473 4.617 20 0 JJADMN Cc1cc(Br)c(CNCC(C)(C)NC(=O)OC(C)(C)C)cc1Br ZINC001461260501 1067813080 /nfs/dbraw/zinc/81/30/80/1067813080.db2.gz HFDGPJHMFACSSQ-UHFFFAOYSA-N 0 1 450.215 4.913 20 0 JJADMN CCOc1ccc([C@H](C)NC(=O)CCCNCc2c(F)ccc(Br)c2F)cc1 ZINC001461284918 1067818035 /nfs/dbraw/zinc/81/80/35/1067818035.db2.gz UZAJEAODUQEHTP-AWEZNQCLSA-N 0 1 455.343 4.873 20 0 JJADMN O=S1(=O)CCCC[C@H]1CNCc1ccccc1Oc1ccc(Cl)cc1Br ZINC001461375659 1067841079 /nfs/dbraw/zinc/84/10/79/1067841079.db2.gz BGOVAKISNIBCBN-INIZCTEOSA-N 0 1 458.805 4.952 20 0 JJADMN COc1cc(CNC[C@@H]2CCCCS2(=O)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001461380762 1067843024 /nfs/dbraw/zinc/84/30/24/1067843024.db2.gz ZSPQQYZPYYTCLE-SFHVURJKSA-N 0 1 458.407 4.638 20 0 JJADMN CCOc1cc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc(Cl)c1OC ZINC001461419260 1067851886 /nfs/dbraw/zinc/85/18/86/1067851886.db2.gz ZOJZHUUNXRVPHV-INIZCTEOSA-N 0 1 456.892 4.657 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461420367 1067852348 /nfs/dbraw/zinc/85/23/48/1067852348.db2.gz RVMBUFLEGICTPO-OALUTQOASA-N 0 1 460.427 4.763 20 0 JJADMN COc1cc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)cc(OC)c1OCc1ccccc1 ZINC001461434046 1067855449 /nfs/dbraw/zinc/85/54/49/1067855449.db2.gz FXVXLDTVNTYENP-HSZRJFAPSA-N 0 1 452.595 4.696 20 0 JJADMN COc1cc(Br)c(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c(OC)c1 ZINC001461445894 1067858611 /nfs/dbraw/zinc/85/86/11/1067858611.db2.gz WOEYJBYWNQKTCL-ZDUSSCGKSA-N 0 1 459.306 4.854 20 0 JJADMN Cc1nn(C(C)(C)C)c2nc(Cl)c(CNc3ccc(Cl)c(CN(C)CCO)c3)cc12 ZINC001461460459 1067862146 /nfs/dbraw/zinc/86/21/46/1067862146.db2.gz PQAQONUHDWDEKZ-UHFFFAOYSA-N 0 1 450.414 4.838 20 0 JJADMN FC(F)(F)c1ccc(-c2n[nH]cc2CNCc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC001461465309 1067863739 /nfs/dbraw/zinc/86/37/39/1067863739.db2.gz RLANXMTUTIODOM-UHFFFAOYSA-N 0 1 450.892 4.875 20 0 JJADMN CN(C)CCNS(=O)(=O)c1cccc(NCc2ccc(-c3ccccc3Cl)s2)c1 ZINC001461488995 1067873632 /nfs/dbraw/zinc/87/36/32/1067873632.db2.gz AOVUGMIWESJPMG-UHFFFAOYSA-N 0 1 450.029 4.521 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N[C@H]1CCC3(C[C@@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542548 1067885289 /nfs/dbraw/zinc/88/52/89/1067885289.db2.gz VXTVRZGZFQIPHF-GBESFXJTSA-N 0 1 450.551 4.859 20 0 JJADMN COCO[C@H](C)c1cc(F)c(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1Br ZINC001461553176 1067886985 /nfs/dbraw/zinc/88/69/85/1067886985.db2.gz MNRHDZWGAXBHJZ-SPLOXXLWSA-N 0 1 457.359 4.801 20 0 JJADMN COC(=O)[C@@H](C)Oc1ccccc1CNCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC001461553192 1067887303 /nfs/dbraw/zinc/88/73/03/1067887303.db2.gz MNYLNCJSJPUGFU-GOSISDBHSA-N 0 1 454.567 4.604 20 0 JJADMN CCOc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc(OCC)c1OCC ZINC001461595359 1067896896 /nfs/dbraw/zinc/89/68/96/1067896896.db2.gz GAWNDYVOCJRPLM-QHCPKHFHSA-N 0 1 454.611 4.865 20 0 JJADMN CC(C)[C@H]1CN(C(=O)CCCOc2ccccc2Br)CCN1Cc1ccccc1 ZINC001461597291 1067897459 /nfs/dbraw/zinc/89/74/59/1067897459.db2.gz JBEJHVSWQKAFBT-JOCHJYFZSA-N 0 1 459.428 4.977 20 0 JJADMN Cn1c2cc(CNCc3cc(Br)ccc3OCc3ccccc3)ccc2oc1=O ZINC001461675246 1067915851 /nfs/dbraw/zinc/91/58/51/1067915851.db2.gz FMZHSGHLZSMKPB-UHFFFAOYSA-N 0 1 453.336 4.763 20 0 JJADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001461690275 1067919109 /nfs/dbraw/zinc/91/91/09/1067919109.db2.gz DANZBMKAWMIMQO-HXUWFJFHSA-N 0 1 452.755 4.949 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC001461694079 1067920035 /nfs/dbraw/zinc/92/00/35/1067920035.db2.gz HHCYHLWVYPXTKN-QFIPXVFZSA-N 0 1 459.421 4.787 20 0 JJADMN CCS(=O)(=O)c1ccccc1CCNCc1csc(COc2ccc(Cl)cc2)n1 ZINC001461751895 1067930576 /nfs/dbraw/zinc/93/05/76/1067930576.db2.gz SNXHDPRUJUGJPZ-UHFFFAOYSA-N 0 1 451.013 4.501 20 0 JJADMN CCO/C=C/[C@](O)(CNCc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772515 1067934515 /nfs/dbraw/zinc/93/45/15/1067934515.db2.gz FJCYWRRRKMHPKO-BYUVYSIJSA-N 0 1 459.512 4.840 20 0 JJADMN CCO/C=C\[C@](O)(CNCc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779844 1067935716 /nfs/dbraw/zinc/93/57/16/1067935716.db2.gz XGKLITHRLFHOSB-PTZVLDCSSA-N 0 1 451.308 4.506 20 0 JJADMN COc1cc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OCc1ccccc1 ZINC001461821797 1067942123 /nfs/dbraw/zinc/94/21/23/1067942123.db2.gz FQFYBMCHAZCNBZ-SFHVURJKSA-N 0 1 455.576 4.537 20 0 JJADMN COC(=O)c1cc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)[nH]c1C ZINC001461854912 1067948152 /nfs/dbraw/zinc/94/81/52/1067948152.db2.gz SHHCXGNULOKRRP-DEOSSOPVSA-N 0 1 452.599 4.798 20 0 JJADMN CC1(C)CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C(C)(C)CN1Cc1ccccc1 ZINC001461875858 1067952512 /nfs/dbraw/zinc/95/25/12/1067952512.db2.gz YDCFZTGPGMOFDK-NRFANRHFSA-N 0 1 457.412 4.654 20 0 JJADMN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)sc1Br ZINC001462047921 1067989970 /nfs/dbraw/zinc/98/99/70/1067989970.db2.gz FLYCTZOAQRYNEV-LBPRGKRZSA-N 0 1 452.201 4.859 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(c2ccnc(NC(=O)C[C@H]3CCCc4ccccc43)c2)CC1 ZINC001462050203 1067990615 /nfs/dbraw/zinc/99/06/15/1067990615.db2.gz KGWMZWWKJGEWOJ-HXUWFJFHSA-N 0 1 450.583 4.587 20 0 JJADMN CC[C@@H](CC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1)c1ccc(C)cc1 ZINC001462051465 1067991411 /nfs/dbraw/zinc/99/14/11/1067991411.db2.gz POAPUZYANPSCIL-FQEVSTJZSA-N 0 1 452.599 4.970 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001462190024 1068025819 /nfs/dbraw/zinc/02/58/19/1068025819.db2.gz LIRQPUCEQGDVPW-AWEZNQCLSA-N 0 1 452.464 4.537 20 0 JJADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC001462280951 1068043105 /nfs/dbraw/zinc/04/31/05/1068043105.db2.gz UBZHUKVTDPBWRT-SANMLTNESA-N 0 1 450.579 4.997 20 0 JJADMN COc1ccc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294332 1068046236 /nfs/dbraw/zinc/04/62/36/1068046236.db2.gz KJIMDJWBRHRFLS-NZQKXSOJSA-N 0 1 453.583 4.501 20 0 JJADMN CC(C)n1cncc1CN1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1 ZINC001462341285 1068054455 /nfs/dbraw/zinc/05/44/55/1068054455.db2.gz INNQULRFBPBGBK-UHFFFAOYSA-N 0 1 456.635 4.681 20 0 JJADMN COCCN(Cc1nc2ccc(F)cc2s1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462396143 1068065032 /nfs/dbraw/zinc/06/50/32/1068065032.db2.gz POARBIHLCUJHIY-UHFFFAOYSA-N 0 1 457.571 4.685 20 0 JJADMN COc1ccc([C@@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462413251 1068069312 /nfs/dbraw/zinc/06/93/12/1068069312.db2.gz KNGREZDSNPZXGG-ZCMOXLTCSA-N 0 1 472.429 4.662 20 0 JJADMN COc1ccc([C@@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462413251 1068069326 /nfs/dbraw/zinc/06/93/26/1068069326.db2.gz KNGREZDSNPZXGG-ZCMOXLTCSA-N 0 1 472.429 4.662 20 0 JJADMN CN(CCOCCN(C)C(=O)OC(C)(C)C)Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001462443671 1068075922 /nfs/dbraw/zinc/07/59/22/1068075922.db2.gz YTYNWHKXUYTWRX-UHFFFAOYSA-N 0 1 458.647 4.544 20 0 JJADMN C[C@@H](c1ccccc1)[C@H](O)CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460296 1068078922 /nfs/dbraw/zinc/07/89/22/1068078922.db2.gz RUAQGDWXSOCCMP-MGPUTAFESA-N 0 1 453.371 4.972 20 0 JJADMN CN(C)c1nc(CN2CC[C@H]3CSC[C@@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521922 1068090741 /nfs/dbraw/zinc/09/07/41/1068090741.db2.gz KEZGXWVEIPKEEB-KBPBESRZSA-N 0 1 455.853 4.539 20 0 JJADMN COc1ccc(C2=NO[C@H](CNCc3ccccc3OCc3ccc(F)cc3F)C2)cc1F ZINC001462544156 1068095176 /nfs/dbraw/zinc/09/51/76/1068095176.db2.gz CYJFKQNCYATWAV-FQEVSTJZSA-N 0 1 456.464 4.974 20 0 JJADMN CCC1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCN(CCOC(C)C)CC2)CC1 ZINC001546132521 1068100631 /nfs/dbraw/zinc/10/06/31/1068100631.db2.gz LJOOKZHOFQHLMD-UHFFFAOYSA-N 0 1 494.453 4.584 20 0 JJADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1c(F)ccc(I)c1Cl ZINC001462607863 1068110920 /nfs/dbraw/zinc/11/09/20/1068110920.db2.gz FTQHYMYUQJQWFP-UHFFFAOYSA-N 0 1 450.038 4.866 20 0 JJADMN O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734524 1068147557 /nfs/dbraw/zinc/14/75/57/1068147557.db2.gz RKXRTRAALQLONC-JWIGPWBQSA-N 0 1 452.907 4.672 20 0 JJADMN C[N@H+](CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)C1CCCCC1 ZINC001462801225 1068171148 /nfs/dbraw/zinc/17/11/48/1068171148.db2.gz ABQMZJDWBSPGPO-UHFFFAOYSA-N 0 1 458.249 4.689 20 0 JJADMN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)C1CCCCC1 ZINC001462801225 1068171152 /nfs/dbraw/zinc/17/11/52/1068171152.db2.gz ABQMZJDWBSPGPO-UHFFFAOYSA-N 0 1 458.249 4.689 20 0 JJADMN CCN(CC)[C@@H](CNS(=O)(=O)c1cccc2c1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC001462922770 1068215321 /nfs/dbraw/zinc/21/53/21/1068215321.db2.gz IYLJPMLFGDHNGN-NRFANRHFSA-N 0 1 454.558 4.946 20 0 JJADMN COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)oc1Cl ZINC001462950391 1068226357 /nfs/dbraw/zinc/22/63/57/1068226357.db2.gz DWVIYGYRCDMNNI-KRWDZBQOSA-N 0 1 454.331 4.635 20 0 JJADMN CC(C)COC[C@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccco1 ZINC001462994056 1068242523 /nfs/dbraw/zinc/24/25/23/1068242523.db2.gz WRRIWNPBCMXLOI-AWEZNQCLSA-N 0 1 454.745 4.527 20 0 JJADMN C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001463120236 1068293929 /nfs/dbraw/zinc/29/39/29/1068293929.db2.gz IVOSOPMCVKQMOA-JOCHJYFZSA-N 0 1 456.652 4.931 20 0 JJADMN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@H]3CCCCN3C)cc12 ZINC001463219854 1068323955 /nfs/dbraw/zinc/32/39/55/1068323955.db2.gz AQVGRJFZZHBJKS-MRXNPFEDSA-N 0 1 451.423 4.975 20 0 JJADMN C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463285596 1068344623 /nfs/dbraw/zinc/34/46/23/1068344623.db2.gz YGDFYPJGFZOQBL-QMMMGPOBSA-N 0 1 450.706 4.875 20 0 JJADMN CC(C)(C)OC(=O)NC1(C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)CCCCC1 ZINC001463339218 1068361621 /nfs/dbraw/zinc/36/16/21/1068361621.db2.gz VOJWPOFPEZYNNS-UHFFFAOYSA-N 0 1 455.328 4.631 20 0 JJADMN CN1CCN(c2ccc(NC(=O)c3ccc(Br)cc3Cl)c3cnccc32)CC1 ZINC001463430582 1068394945 /nfs/dbraw/zinc/39/49/45/1068394945.db2.gz JGOALGMZRZSPRT-UHFFFAOYSA-N 0 1 459.775 4.655 20 0 JJADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC001463495533 1068419243 /nfs/dbraw/zinc/41/92/43/1068419243.db2.gz DHDAEFOMGKFQSH-GOSISDBHSA-N 0 1 457.857 4.862 20 0 JJADMN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cn[nH]c1-c1ccncc1 ZINC001463534454 1068431551 /nfs/dbraw/zinc/43/15/51/1068431551.db2.gz FIAZYDFMLPMOCD-UHFFFAOYSA-N 0 1 451.408 4.995 20 0 JJADMN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC001463538916 1068433870 /nfs/dbraw/zinc/43/38/70/1068433870.db2.gz XEGALTBRCWNKQS-UHFFFAOYSA-N 0 1 451.408 4.995 20 0 JJADMN CC/C(C)=C/C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001463539401 1068433881 /nfs/dbraw/zinc/43/38/81/1068433881.db2.gz HIYZRKATALIQCZ-FBMGVBCBSA-N 0 1 457.596 4.781 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)N2CCCC2)c1 ZINC001463554043 1068439463 /nfs/dbraw/zinc/43/94/63/1068439463.db2.gz AYAFEIYRIWUZBN-JOCHJYFZSA-N 0 1 459.377 4.755 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)N2CCCC2)c1 ZINC001463559494 1068442636 /nfs/dbraw/zinc/44/26/36/1068442636.db2.gz TWSLOGZVCJGYEM-JOCHJYFZSA-N 0 1 459.377 4.755 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)N2CCCC2)c1 ZINC001463560205 1068443512 /nfs/dbraw/zinc/44/35/12/1068443512.db2.gz WEQKCHLAGUULAT-QHCPKHFHSA-N 0 1 452.986 4.718 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2cc3c(ccc(C)c3Br)[nH]2)N2CCCC2)cc1 ZINC001463561783 1068444332 /nfs/dbraw/zinc/44/43/32/1068444332.db2.gz FKRAIMZIEVENOJ-OAQYLSRUSA-N 0 1 456.384 4.814 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccccc1N1CCCCC1 ZINC001463602393 1068461773 /nfs/dbraw/zinc/46/17/73/1068461773.db2.gz BNEGNEWTMLFTAG-UHFFFAOYSA-N 0 1 450.608 4.875 20 0 JJADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC001463678795 1068491766 /nfs/dbraw/zinc/49/17/66/1068491766.db2.gz WDAGUGNFULAYIX-UHFFFAOYSA-N 0 1 458.249 4.643 20 0 JJADMN C[C@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1)c1ccc(Cl)cn1 ZINC001463690938 1068495592 /nfs/dbraw/zinc/49/55/92/1068495592.db2.gz IHRAEAYAYNXEAR-OZWPHOJSSA-N 0 1 474.001 4.523 20 0 JJADMN COc1ccc(NC(=O)/C=C/c2ncccc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463701223 1068499120 /nfs/dbraw/zinc/49/91/20/1068499120.db2.gz WQXBQVFMKHJWPN-ZRDIBKRKSA-N 0 1 457.939 4.505 20 0 JJADMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC001463714510 1068502638 /nfs/dbraw/zinc/50/26/38/1068502638.db2.gz ZNJCFAPBOMITFR-UHFFFAOYSA-N 0 1 452.866 4.680 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2ccc(OC(C)C)cc2)cc1 ZINC001463730278 1068506519 /nfs/dbraw/zinc/50/65/19/1068506519.db2.gz BSGMSURFMUFRGR-UHFFFAOYSA-N 0 1 458.605 4.617 20 0 JJADMN CCc1ccc([C@H](CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)N(CC)CC)cc1 ZINC001463790048 1068524582 /nfs/dbraw/zinc/52/45/82/1068524582.db2.gz DCGYMQFNEGQGSF-KRWDZBQOSA-N 0 1 459.439 4.926 20 0 JJADMN 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CCCOc1cc(C)ccc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464311795 1068700747 /nfs/dbraw/zinc/70/07/47/1068700747.db2.gz KJNCJCKKTOFGEC-JOCHJYFZSA-N 0 1 455.599 4.748 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)c3ccc(N)c(OC(F)(F)F)c3)cc2Cl)CC1 ZINC001464461115 1068755043 /nfs/dbraw/zinc/75/50/43/1068755043.db2.gz FHLCUWOEZQYFPB-UHFFFAOYSA-N 0 1 456.896 4.605 20 0 JJADMN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(I)cc3O)sc2C1 ZINC001546147164 1068757901 /nfs/dbraw/zinc/75/79/01/1068757901.db2.gz KLHTVEGALRISLG-SNVBAGLBSA-N 0 1 456.349 4.857 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)n2)cc1 ZINC001464479020 1068760821 /nfs/dbraw/zinc/76/08/21/1068760821.db2.gz XJPLKFUTVRIVTA-QGZVFWFLSA-N 0 1 458.971 4.722 20 0 JJADMN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC001464490308 1068764562 /nfs/dbraw/zinc/76/45/62/1068764562.db2.gz BMEVQBXMPBWFCJ-NRFANRHFSA-N 0 1 452.530 4.877 20 0 JJADMN CCN(CC)[C@H](CNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1)c1ccco1 ZINC001464545017 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O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164695675 719889011 /nfs/dbraw/zinc/88/90/11/719889011.db2.gz QLTCADGRBIUDAY-UHFFFAOYSA-N 0 1 497.064 4.598 20 0 JJADMN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164697013 719892735 /nfs/dbraw/zinc/89/27/35/719892735.db2.gz IWJGDZRVJBTIOW-UHFFFAOYSA-N 0 1 452.958 4.694 20 0 JJADMN Fc1ccc(Cn2ccc3c2ncnc3N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1 ZINC001164696198 719893802 /nfs/dbraw/zinc/89/38/02/719893802.db2.gz BIWYTJDQTOCTEP-UHFFFAOYSA-N 0 1 477.609 4.552 20 0 JJADMN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164699286 719894183 /nfs/dbraw/zinc/89/41/83/719894183.db2.gz YWPPBGAVPWMNNE-UHFFFAOYSA-N 0 1 464.969 4.761 20 0 JJADMN COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc2C)cc1 ZINC001164696217 719896718 /nfs/dbraw/zinc/89/67/18/719896718.db2.gz CJNHUKQLEHAQFC-UHFFFAOYSA-N 0 1 477.630 4.777 20 0 JJADMN c1csc(CN2CCOC3(CCN(c4nc5ccccc5nc4N4CCCCC4)CC3)C2)c1 ZINC001164696165 719897431 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QPXPWHHSJAYMCC-CYBMUJFWSA-N 0 1 452.912 4.585 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)[C@@H]2C ZINC001164864174 721005569 /nfs/dbraw/zinc/00/55/69/721005569.db2.gz YRVSRALCNBAQOT-MRXNPFEDSA-N 0 1 460.960 4.960 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)[C@@H]2C ZINC001164861236 721005656 /nfs/dbraw/zinc/00/56/56/721005656.db2.gz PUPPMKVUXLPMAP-CQSZACIVSA-N 0 1 450.921 4.553 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)[C@H]2C ZINC001164858027 721014041 /nfs/dbraw/zinc/01/40/41/721014041.db2.gz FIETWGMYNLVAJS-INIZCTEOSA-N 0 1 460.960 4.960 20 0 JJADMN COc1ccc(-c2cc(C(F)(F)N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c(Cl)nn2)cc1 ZINC001164861729 721022904 /nfs/dbraw/zinc/02/29/04/721022904.db2.gz PHJORZOFHMHDMY-MRXNPFEDSA-N 0 1 490.986 4.968 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@H]3C2)cn1 ZINC001164769461 721097222 /nfs/dbraw/zinc/09/72/22/721097222.db2.gz ORECQLRQYWQGEV-LEWJYISDSA-N 0 1 457.956 4.639 20 0 JJADMN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871400 721194757 /nfs/dbraw/zinc/19/47/57/721194757.db2.gz YXLYTYLUZWOWAW-MOPGFXCFSA-N 0 1 476.980 4.883 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001164764918 721224531 /nfs/dbraw/zinc/22/45/31/721224531.db2.gz HCELJHFAKCEHGK-ROUUACIJSA-N 0 1 475.946 4.778 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164778632 721342555 /nfs/dbraw/zinc/34/25/55/721342555.db2.gz NLFUCBQVAHCJGD-XMMPIXPASA-N 0 1 458.965 4.751 20 0 JJADMN COc1ccc2c(c1)nc(Cl)cc2N1CCC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164778811 721349504 /nfs/dbraw/zinc/34/95/04/721349504.db2.gz OTHVOQKFGSDMGM-VWLOTQADSA-N 0 1 471.001 4.621 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164782245 721355058 /nfs/dbraw/zinc/35/50/58/721355058.db2.gz LODPPPRVDXXKEM-RUZDIDTESA-N 0 1 455.002 4.920 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164782939 721357153 /nfs/dbraw/zinc/35/71/53/721357153.db2.gz NWKLEGLGSWFIDL-AREMUKBSSA-N 0 1 452.574 4.715 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164781606 721363725 /nfs/dbraw/zinc/36/37/25/721363725.db2.gz KBYYXASPIYEQPC-AREMUKBSSA-N 0 1 453.631 4.557 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164786056 721372211 /nfs/dbraw/zinc/37/22/11/721372211.db2.gz VFDRMMQZLLQNTC-XMMPIXPASA-N 0 1 491.970 4.945 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887682 721404758 /nfs/dbraw/zinc/40/47/58/721404758.db2.gz MEYSSLWXWJUMNR-FDDCHVKYSA-N 0 1 499.433 4.852 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890925 721408879 /nfs/dbraw/zinc/40/88/79/721408879.db2.gz UILZIDJKTXSIRE-YZNIXAGQSA-N 0 1 483.660 4.576 20 0 JJADMN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164786503 721418686 /nfs/dbraw/zinc/41/86/86/721418686.db2.gz PBOCHMJJYNKDEP-HZPDHXFCSA-N 0 1 487.000 4.743 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893732 721425133 /nfs/dbraw/zinc/42/51/33/721425133.db2.gz KDWFFYNPHVSOCJ-FNZWTVRRSA-N 0 1 498.096 4.777 20 0 JJADMN Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c3ccccc32)cc1C ZINC001164890250 721434319 /nfs/dbraw/zinc/43/43/19/721434319.db2.gz CSMJMXNTEQUHPQ-RNAHPLFWSA-N 0 1 485.676 4.679 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889832 721453075 /nfs/dbraw/zinc/45/30/75/721453075.db2.gz PNVHNNDNDDFDCD-WMZHIEFXSA-N 0 1 497.055 4.774 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164809571 721546750 /nfs/dbraw/zinc/54/67/50/721546750.db2.gz VLHDCFCTQTWYRL-NXCFDTQHSA-N 0 1 451.574 4.560 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164799359 721579731 /nfs/dbraw/zinc/57/97/31/721579731.db2.gz AZDFUEPYWXJBGJ-SMIHKQSGSA-N 0 1 457.603 4.622 20 0 JJADMN FC1(F)CCN(c2ccc(-c3ccc(Cl)cc3)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904090 721587083 /nfs/dbraw/zinc/58/70/83/721587083.db2.gz CVQWJFNFEDNNTP-HSZRJFAPSA-N 0 1 455.940 4.930 20 0 JJADMN Fc1cc2nc(Cl)c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2cc1F ZINC001164907481 721699031 /nfs/dbraw/zinc/69/90/31/721699031.db2.gz UERXQCCKKPZUHS-NRFANRHFSA-N 0 1 465.882 4.694 20 0 JJADMN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903727 721699056 /nfs/dbraw/zinc/69/90/56/721699056.db2.gz BXSIMEMTSBIXQJ-XMMPIXPASA-N 0 1 499.587 4.515 20 0 JJADMN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903725 721699430 /nfs/dbraw/zinc/69/94/30/721699430.db2.gz BXSIMEMTSBIXQJ-DEOSSOPVSA-N 0 1 499.587 4.515 20 0 JJADMN CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164904074 721702408 /nfs/dbraw/zinc/70/24/08/721702408.db2.gz CVPKOZCKXFSWOR-RUZDIDTESA-N 0 1 466.532 4.544 20 0 JJADMN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164912719 721726067 /nfs/dbraw/zinc/72/60/67/721726067.db2.gz PSECBBDFSFLFCV-FQEVSTJZSA-N 0 1 469.914 4.685 20 0 JJADMN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164912722 721726267 /nfs/dbraw/zinc/72/62/67/721726267.db2.gz PSECBBDFSFLFCV-HXUWFJFHSA-N 0 1 469.914 4.685 20 0 JJADMN Fc1ccc(COc2cccnc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164913848 721728477 /nfs/dbraw/zinc/72/84/77/721728477.db2.gz YXZMPJUHROXKOR-RUZDIDTESA-N 0 1 468.523 4.932 20 0 JJADMN Fc1ccc(COc2cccnc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164913849 721728926 /nfs/dbraw/zinc/72/89/26/721728926.db2.gz YXZMPJUHROXKOR-VWLOTQADSA-N 0 1 468.523 4.932 20 0 JJADMN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913097 721736323 /nfs/dbraw/zinc/73/63/23/721736323.db2.gz SNNOIWZXHHHVID-GOSISDBHSA-N 0 1 479.305 4.946 20 0 JJADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(C3CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001165013334 721746721 /nfs/dbraw/zinc/74/67/21/721746721.db2.gz YNMJCPGJJMWESE-UHFFFAOYSA-N 0 1 475.662 4.759 20 0 JJADMN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001165015987 721767364 /nfs/dbraw/zinc/76/73/64/721767364.db2.gz UVOBMYOUZQUGEG-UHFFFAOYSA-N 0 1 458.852 4.578 20 0 JJADMN CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164939074 721930758 /nfs/dbraw/zinc/93/07/58/721930758.db2.gz IFOMQDOSIIAZRB-UHFFFAOYSA-N 0 1 495.023 4.640 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)CC3)C2)cc1 ZINC001164943996 721933120 /nfs/dbraw/zinc/93/31/20/721933120.db2.gz QOURIZUELYNCAO-UHFFFAOYSA-N 0 1 494.970 4.552 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C(F)F)nc5ccc(F)cc54)CC3)C2)cc1 ZINC001164940216 721933168 /nfs/dbraw/zinc/93/31/68/721933168.db2.gz SLECPNDYUVPNPR-UHFFFAOYSA-N 0 1 456.512 4.886 20 0 JJADMN Cc1nc2sc3c(c2c(N2CCC4(CC2)COCCN(Cc2ccncc2)C4)n1)CCCCC3 ZINC001164963355 722059709 /nfs/dbraw/zinc/05/97/09/722059709.db2.gz XGZUXWDRRKEWED-UHFFFAOYSA-N 0 1 477.678 4.783 20 0 JJADMN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961739 722059757 /nfs/dbraw/zinc/05/97/57/722059757.db2.gz OSEJWYIYPNYJFI-HSZRJFAPSA-N 0 1 486.664 4.523 20 0 JJADMN Fc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 ZINC001164960033 722059947 /nfs/dbraw/zinc/05/99/47/722059947.db2.gz DUHQIENHCUSBTK-UHFFFAOYSA-N 0 1 483.975 4.575 20 0 JJADMN Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966017 722061949 /nfs/dbraw/zinc/06/19/49/722061949.db2.gz NHVSFRRYEXUIHJ-UHFFFAOYSA-N 0 1 480.012 4.745 20 0 JJADMN c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c12 ZINC001164967218 722075713 /nfs/dbraw/zinc/07/57/13/722075713.db2.gz OFHQZFDZYNEGTA-SZPZYZBQSA-N 0 1 469.614 4.720 20 0 JJADMN CC(=O)N1CC2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)c2cc(C)ccc21 ZINC001164992097 722189470 /nfs/dbraw/zinc/18/94/70/722189470.db2.gz VNUONTQWLCMWAO-UHFFFAOYSA-N 0 1 466.629 4.853 20 0 JJADMN O=C(c1cc(Cl)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC001164993864 722195951 /nfs/dbraw/zinc/19/59/51/722195951.db2.gz IFLNQEVRXIVCOM-VWLOTQADSA-N 0 1 456.993 4.745 20 0 JJADMN CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1Cc1ccsc1Br ZINC001359719047 1064266125 /nfs/dbraw/zinc/26/61/25/1064266125.db2.gz AGWJBSAQCZLNKU-QGZVFWFLSA-N 0 1 474.472 4.985 20 0 JJADMN CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1Cc1ccsc1Br ZINC001359719046 1064266273 /nfs/dbraw/zinc/26/62/73/1064266273.db2.gz AGWJBSAQCZLNKU-KRWDZBQOSA-N 0 1 474.472 4.985 20 0 JJADMN CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1Cc1nc(C(C)(C)C)cs1 ZINC001359719696 1064267407 /nfs/dbraw/zinc/26/74/07/1064267407.db2.gz UMAPCSMOMILOFI-LJQANCHMSA-N 0 1 452.672 4.915 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1C[C@@H](c1ccccc1)N(C)C ZINC001545859533 1064268033 /nfs/dbraw/zinc/26/80/33/1064268033.db2.gz OLKRMDMNRZLMLU-QTJGBDASSA-N 0 1 466.674 4.658 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@@H](c1ccccc1)N(C)C ZINC001545859534 1064268168 /nfs/dbraw/zinc/26/81/68/1064268168.db2.gz OLKRMDMNRZLMLU-XWGVYQGASA-N 0 1 466.674 4.658 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001545865408 1064273208 /nfs/dbraw/zinc/27/32/08/1064273208.db2.gz AKQJEYSWOBMCOV-UFHPHHKVSA-N 0 1 480.701 4.660 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001545865856 1064274995 /nfs/dbraw/zinc/27/49/95/1064274995.db2.gz NSSITRCMWFTSHA-NRFANRHFSA-N 0 1 494.728 4.906 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001545868087 1064278619 /nfs/dbraw/zinc/27/86/19/1064278619.db2.gz LRCFJKDSUUZMMQ-AUSIDOKSSA-N 0 1 484.664 4.655 20 0 JJADMN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCSCC2)C1 ZINC001359730387 1064281592 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GOJOEOZEHDNIKN-MRXNPFEDSA-N 0 1 454.665 4.832 20 0 JJADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(F)c2Br)c1 ZINC001436579944 1065378746 /nfs/dbraw/zinc/37/87/46/1065378746.db2.gz MXOOCXYJVFTXEP-UHFFFAOYSA-N 0 1 456.743 4.774 20 0 JJADMN C[C@@H](c1cccs1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCOCC1 ZINC001360467064 1065380355 /nfs/dbraw/zinc/38/03/55/1065380355.db2.gz RSSZEEOPINGLON-TUNNFDKTSA-N 0 1 475.703 4.568 20 0 JJADMN Cc1ccc(Br)nc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001436631023 1065408264 /nfs/dbraw/zinc/40/82/64/1065408264.db2.gz HEIRSFSZMCSUOL-LEWJYISDSA-N 0 1 468.370 4.690 20 0 JJADMN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)N(C)C ZINC001360502866 1065429852 /nfs/dbraw/zinc/42/98/52/1065429852.db2.gz FCIGWZZGJZYKOM-ZFJSRUIDSA-N 0 1 467.614 4.579 20 0 JJADMN COc1ccc(-c2nc(C)sc2CC(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1 ZINC001436951510 1065479215 /nfs/dbraw/zinc/47/92/15/1065479215.db2.gz AZQFNWSIKJKCAD-UHFFFAOYSA-N 0 1 456.637 4.921 20 0 JJADMN 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BRHXEYDLSIVNQZ-UHFFFAOYSA-N 0 1 451.630 4.956 20 0 JJADMN C[C@@H]1CN(CCCNC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001440821699 1065981490 /nfs/dbraw/zinc/98/14/90/1065981490.db2.gz AYINVYKRSHEEFT-HYFFOGBASA-N 0 1 451.394 4.729 20 0 JJADMN C[C@@H]1CN(CCCNC(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@@H](C)O1 ZINC001440826755 1065982054 /nfs/dbraw/zinc/98/20/54/1065982054.db2.gz NNXACICWTYIYSC-DRSNIGMVSA-N 0 1 451.007 4.928 20 0 JJADMN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](c2ccco2)N2CCCCC2)c1C ZINC001360864997 1065983663 /nfs/dbraw/zinc/98/36/63/1065983663.db2.gz NZNMOOCSJHXLCQ-DEOSSOPVSA-N 0 1 492.668 4.989 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2ccco2)N(C)C)c1C ZINC001360865443 1065984328 /nfs/dbraw/zinc/98/43/28/1065984328.db2.gz BLSJRQLCWJCWJP-MSOLQXFVSA-N 0 1 465.520 4.929 20 0 JJADMN COc1ccc(CN2CCCN(C(=O)CCCOc3cccc(Cl)c3Cl)CC2)cc1 ZINC001440870793 1065986554 /nfs/dbraw/zinc/98/65/54/1065986554.db2.gz JSUIIGWNTITLET-UHFFFAOYSA-N 0 1 451.394 4.896 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360866149 1065987574 /nfs/dbraw/zinc/98/75/74/1065987574.db2.gz NJSCTSYHOPZNSW-CMKODMSKSA-N 0 1 497.606 4.921 20 0 JJADMN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC001440883872 1065989123 /nfs/dbraw/zinc/98/91/23/1065989123.db2.gz USYIVYVCBHOJDW-QFIPXVFZSA-N 0 1 455.986 4.740 20 0 JJADMN CN(C)[C@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001441011080 1066000262 /nfs/dbraw/zinc/00/02/62/1066000262.db2.gz YNLLLVGESPLDIF-QGZVFWFLSA-N 0 1 456.921 4.698 20 0 JJADMN CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3[O-])cc2)CC1 ZINC001441064844 1066005342 /nfs/dbraw/zinc/00/53/42/1066005342.db2.gz ZUVCTJBCSHUNKE-UHFFFAOYSA-N 0 1 453.583 4.901 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N(Cc1ccco1)Cc1ccco1 ZINC001441123155 1066009666 /nfs/dbraw/zinc/00/96/66/1066009666.db2.gz KHJKUSSJLSSDME-UHFFFAOYSA-N 0 1 451.548 4.661 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](c2ccco2)N(C)C)c1C ZINC001360873631 1066009874 /nfs/dbraw/zinc/00/98/74/1066009874.db2.gz HFPSBEFZABQQGS-FCEUIQTBSA-N 0 1 467.614 4.546 20 0 JJADMN CC(C)c1ccc(Oc2cc(C(=O)NCCCN3CCN(c4ccccc4)CC3)ccn2)cc1 ZINC001441204096 1066015022 /nfs/dbraw/zinc/01/50/22/1066015022.db2.gz WFCRXRHEZGARFE-UHFFFAOYSA-N 0 1 458.606 4.939 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2C[C@H]2CCO[C@@H]2C(C)C)c1C ZINC001360878064 1066024984 /nfs/dbraw/zinc/02/49/84/1066024984.db2.gz QVJBKBYNKKFUQU-VDKIKQQVSA-N 0 1 469.674 4.626 20 0 JJADMN CC[C@@]1(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441343496 1066030839 /nfs/dbraw/zinc/03/08/39/1066030839.db2.gz RAEUWVMKMUHOLN-HYBUGGRVSA-N 0 1 450.023 4.630 20 0 JJADMN CC1=C(C)CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCN2CCOCC2)CC1 ZINC001360885138 1066040099 /nfs/dbraw/zinc/04/00/99/1066040099.db2.gz UPRYJRRASXQNGE-UHFFFAOYSA-N 0 1 451.659 4.902 20 0 JJADMN CCN(CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CC1 ZINC001441459585 1066042789 /nfs/dbraw/zinc/04/27/89/1066042789.db2.gz AXDOGKZJDUWWAE-FQEVSTJZSA-N 0 1 452.451 4.755 20 0 JJADMN CC1=C(C)CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C(C)C)CC1 ZINC001360891702 1066043080 /nfs/dbraw/zinc/04/30/80/1066043080.db2.gz BWZZQDGUFDYGKT-UHFFFAOYSA-N 0 1 464.702 4.872 20 0 JJADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC001441522927 1066047826 /nfs/dbraw/zinc/04/78/26/1066047826.db2.gz GVSGDRUIQKCBTQ-HNNXBMFYSA-N 0 1 450.004 4.601 20 0 JJADMN Cn1ccnc1COc1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)cc1 ZINC001441654134 1066058255 /nfs/dbraw/zinc/05/82/55/1066058255.db2.gz VATYCENIEYFTMJ-UHFFFAOYSA-N 0 1 457.412 4.540 20 0 JJADMN CN(C)[C@H](CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC001441812100 1066071615 /nfs/dbraw/zinc/07/16/15/1066071615.db2.gz IAZQHXFJCQVIFS-JOCHJYFZSA-N 0 1 452.917 4.958 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)N1CCCCC1 ZINC001441886758 1066078114 /nfs/dbraw/zinc/07/81/14/1066078114.db2.gz PBZNZXLVBAWHRM-OTDUKCBNSA-N 0 1 454.567 4.600 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1cnn(-c2ccccc2)c1C(F)F)N1CCCCC1 ZINC001441892045 1066079307 /nfs/dbraw/zinc/07/93/07/1066079307.db2.gz XCFRWPMIADNUHI-NRFANRHFSA-N 0 1 454.521 4.776 20 0 JJADMN COc1ccc(C2(CNC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)CCCCC2)cc1 ZINC001442127169 1066097363 /nfs/dbraw/zinc/09/73/63/1066097363.db2.gz BLMHIFBBKHBSDG-UHFFFAOYSA-N 0 1 450.608 4.899 20 0 JJADMN CCN(CC)[C@H](C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 ZINC001442160457 1066098285 /nfs/dbraw/zinc/09/82/85/1066098285.db2.gz MFEPVTFZDPYESX-AMGIVPHBSA-N 0 1 457.574 4.784 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC001442619985 1066145801 /nfs/dbraw/zinc/14/58/01/1066145801.db2.gz QALFYSXQJDGNKN-CBQOVEMMSA-N 0 1 458.624 4.934 20 0 JJADMN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC001442618395 1066145886 /nfs/dbraw/zinc/14/58/86/1066145886.db2.gz QXFWRLGESKVKJZ-HXUWFJFHSA-N 0 1 450.435 4.859 20 0 JJADMN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC001442715046 1066154765 /nfs/dbraw/zinc/15/47/65/1066154765.db2.gz AVWDVEXSMWKPRM-SNVBAGLBSA-N 0 1 455.234 4.659 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1C[C@H](c1ccco1)N(C)C ZINC001360986956 1066156021 /nfs/dbraw/zinc/15/60/21/1066156021.db2.gz QCBYWSNUYFBGDT-HLAWJBBLSA-N 0 1 488.032 4.809 20 0 JJADMN Cc1ccc(Cc2nc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)cs2)cc1 ZINC001442730080 1066156037 /nfs/dbraw/zinc/15/60/37/1066156037.db2.gz YFTIHNFUKKYFED-UHFFFAOYSA-N 0 1 454.353 4.842 20 0 JJADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC001442761399 1066157938 /nfs/dbraw/zinc/15/79/38/1066157938.db2.gz VCKREFOGVKYRTN-UHFFFAOYSA-N 0 1 457.574 4.666 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CCN1CCSCC1 ZINC001360989353 1066160725 /nfs/dbraw/zinc/16/07/25/1066160725.db2.gz CVYQZNNQULIXHF-KRWDZBQOSA-N 0 1 486.032 4.583 20 0 JJADMN CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C1CCCCC1 ZINC001442780046 1066221746 /nfs/dbraw/zinc/22/17/46/1066221746.db2.gz FQVUDOVYIFLIDQ-FQEVSTJZSA-N 0 1 450.988 4.935 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](c2ccco2)N(C)C)c1 ZINC001361024366 1066221839 /nfs/dbraw/zinc/22/18/39/1066221839.db2.gz LDWWQIFGENMTFT-FUPPJEDESA-N 0 1 451.615 4.852 20 0 JJADMN Cc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2Br)N2CCCC2)o1 ZINC001442870958 1066235315 /nfs/dbraw/zinc/23/53/15/1066235315.db2.gz GJBHEVLTHJJSHP-QGZVFWFLSA-N 0 1 455.780 4.726 20 0 JJADMN CCN(C)Cc1cc(O[C@H]2CCN(C(=O)Cc3ccccc3Oc3ccc(C)cc3)C2)ccn1 ZINC001454018452 1066235815 /nfs/dbraw/zinc/23/58/15/1066235815.db2.gz XGTORBHWAUMIOW-SANMLTNESA-N 0 1 459.590 4.856 20 0 JJADMN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cccc4nc(C(F)F)[nH]c43)cc2)cc1 ZINC001442938249 1066243758 /nfs/dbraw/zinc/24/37/58/1066243758.db2.gz XCGOSAXPIAEEKL-UHFFFAOYSA-N 0 1 457.458 4.949 20 0 JJADMN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001454222349 1066255516 /nfs/dbraw/zinc/25/55/16/1066255516.db2.gz RJECOCHOAJMZLQ-BFUOFWGJSA-N 0 1 458.946 4.668 20 0 JJADMN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(I)c(O)c1 ZINC001443067925 1066262300 /nfs/dbraw/zinc/26/23/00/1066262300.db2.gz DLCFXEMWBTWQMF-KRWDZBQOSA-N 0 1 452.336 4.655 20 0 JJADMN Cc1cccc(CN2CC[C@H](NC(=O)c3cnc(-c4ccccc4Br)s3)C2)c1 ZINC001454310758 1066268527 /nfs/dbraw/zinc/26/85/27/1066268527.db2.gz IOOJOEWDWIYRLA-KRWDZBQOSA-N 0 1 456.409 4.885 20 0 JJADMN Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2CN(CC(C)C)CCO2)c2ccccc2n1 ZINC001361045688 1066271202 /nfs/dbraw/zinc/27/12/02/1066271202.db2.gz FVUPXDOFLVEDSI-IBGZPJMESA-N 0 1 490.574 4.547 20 0 JJADMN COc1cccc(C[C@H]2CN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CCN2)c1 ZINC001454342404 1066273069 /nfs/dbraw/zinc/27/30/69/1066273069.db2.gz DYQCXVZFUZDQAK-FQEVSTJZSA-N 0 1 454.929 4.937 20 0 JJADMN Cc1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404738 1066279058 /nfs/dbraw/zinc/27/90/58/1066279058.db2.gz MQXHQKIRJKFUEW-FOIQADDNSA-N 0 1 458.393 4.523 20 0 JJADMN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc(Br)cc2nc[nH]c21 ZINC001443254439 1066284974 /nfs/dbraw/zinc/28/49/74/1066284974.db2.gz QUCCPBZOMQOWCB-UHFFFAOYSA-N 0 1 456.369 4.597 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCc3ccccc3OCc3ccccc3)n2)cc1 ZINC001454550557 1066300336 /nfs/dbraw/zinc/30/03/36/1066300336.db2.gz HNJPUWSXVGGMTI-UHFFFAOYSA-N 0 1 458.587 4.810 20 0 JJADMN COc1ccccc1NC(=O)c1c(C)[nH]nc1NC(=O)c1ccc(Oc2cc(C)ccn2)cc1 ZINC001454629161 1066311764 /nfs/dbraw/zinc/31/17/64/1066311764.db2.gz JBYBAVOYJPJDKS-UHFFFAOYSA-N 0 1 457.490 4.727 20 0 JJADMN COc1cccc([C@@H](C)CCCC(=O)Nc2n[nH]c(C)c2C(=O)Nc2ccccc2OC)c1 ZINC001454629277 1066312086 /nfs/dbraw/zinc/31/20/86/1066312086.db2.gz KGEVAPMFHCRFHM-INIZCTEOSA-N 0 1 450.539 4.900 20 0 JJADMN 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ZINC001443551709 1066328901 /nfs/dbraw/zinc/32/89/01/1066328901.db2.gz OZWHTPYRYWWWIH-PKTZIBPZSA-N 0 1 457.659 4.973 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)C)CC2)n1C[C@H]1CCCSC1 ZINC001361092042 1066342475 /nfs/dbraw/zinc/34/24/75/1066342475.db2.gz YQWIEQHVNQZVTJ-OAQYLSRUSA-N 0 1 492.133 4.925 20 0 JJADMN Cc1nc(COc2ccc(NC(=O)c3[nH]c(-c4cccc(C(F)(F)F)c4)nc3C)cc2)no1 ZINC001443789519 1066369189 /nfs/dbraw/zinc/36/91/89/1066369189.db2.gz REDQCNIKKYJCGW-UHFFFAOYSA-N 0 1 457.412 4.927 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1 ZINC001361126373 1066384350 /nfs/dbraw/zinc/38/43/50/1066384350.db2.gz QVAGSQTYVJLCOK-TZRRMPRUSA-N 0 1 483.701 4.738 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)Nc3nccn3Cc3ccccc3Cl)[nH]n2)c1C ZINC001444018866 1066395190 /nfs/dbraw/zinc/39/51/90/1066395190.db2.gz VZEPCVNLYSTASO-UHFFFAOYSA-N 0 1 451.962 4.841 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n1 ZINC001361130456 1066395457 /nfs/dbraw/zinc/39/54/57/1066395457.db2.gz NCGVAERSFKESRU-HHHXNRCGSA-N 0 1 495.672 4.600 20 0 JJADMN Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[nH]1 ZINC001361130456 1066395469 /nfs/dbraw/zinc/39/54/69/1066395469.db2.gz NCGVAERSFKESRU-HHHXNRCGSA-N 0 1 495.672 4.600 20 0 JJADMN CCOc1ccccc1-c1cc(C(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)n[nH]1 ZINC001444081434 1066401827 /nfs/dbraw/zinc/40/18/27/1066401827.db2.gz OASYWOKGDBCWDF-QHCPKHFHSA-N 0 1 454.521 4.663 20 0 JJADMN CN(Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)C(=O)CN(C)[C@@H]1CCC[C@H]1O ZINC001455586048 1066413277 /nfs/dbraw/zinc/41/32/77/1066413277.db2.gz UTYRDUZSTGULRA-WOJBJXKFSA-N 0 1 455.357 4.728 20 0 JJADMN Cc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)N(C)C)cc1 ZINC001361140043 1066417145 /nfs/dbraw/zinc/41/71/45/1066417145.db2.gz UIIYHLMIJBNGSI-OAQYLSRUSA-N 0 1 477.575 4.895 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001361151346 1066442710 /nfs/dbraw/zinc/44/27/10/1066442710.db2.gz HMIWFZLCPOAGQA-UNMCSNQZSA-N 0 1 483.682 4.842 20 0 JJADMN Cc1nc(C2CCN(C(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3O)CC2)[nH]c1C ZINC001455866728 1066442687 /nfs/dbraw/zinc/44/26/87/1066442687.db2.gz PCJNLKUJXPCTMT-UHFFFAOYSA-N 0 1 458.971 4.719 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1 ZINC001361151932 1066444815 /nfs/dbraw/zinc/44/48/15/1066444815.db2.gz GLDWRUZDJGKJDG-BJKOFHAPSA-N 0 1 483.701 4.703 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C)Cc2cccs2)c1 ZINC001361159971 1066465743 /nfs/dbraw/zinc/46/57/43/1066465743.db2.gz PZFQYUSNKHVWHN-NRFANRHFSA-N 0 1 467.683 4.945 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)C)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)c1 ZINC001361159927 1066465805 /nfs/dbraw/zinc/46/58/05/1066465805.db2.gz OMVFVBMOFLRIOU-LADGPHEKSA-N 0 1 469.674 4.600 20 0 JJADMN CCCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509018 1066470158 /nfs/dbraw/zinc/47/01/58/1066470158.db2.gz PXFJLQXROMVVFY-MGPUTAFESA-N 0 1 453.414 4.790 20 0 JJADMN CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444516344 1066472592 /nfs/dbraw/zinc/47/25/92/1066472592.db2.gz SKMJFORERDBMJB-ZDUSSCGKSA-N 0 1 459.395 4.563 20 0 JJADMN CC(C)OCc1c2ccccc2oc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444541404 1066473502 /nfs/dbraw/zinc/47/35/02/1066473502.db2.gz ORJCJZAQPRUIEE-UHFFFAOYSA-N 0 1 454.542 4.770 20 0 JJADMN Cc1ccc(C(F)(F)C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)cc1 ZINC001444572679 1066478648 /nfs/dbraw/zinc/47/86/48/1066478648.db2.gz UQEHTOYUISGTHC-UHFFFAOYSA-N 0 1 457.481 4.535 20 0 JJADMN Cc1ccc(C(F)(F)C(=O)Nc2ccc(-c3nc(CNC(=O)OC(C)(C)C)n[nH]3)cc2)cc1 ZINC001444572679 1066478657 /nfs/dbraw/zinc/47/86/57/1066478657.db2.gz UQEHTOYUISGTHC-UHFFFAOYSA-N 0 1 457.481 4.535 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001361176051 1066494593 /nfs/dbraw/zinc/49/45/93/1066494593.db2.gz IAGUNCHUVLRZBF-FCHUYYIVSA-N 0 1 472.630 4.523 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2C[C@H]2CN(CC(C)C)CCO2)o1 ZINC001361178433 1066498914 /nfs/dbraw/zinc/49/89/14/1066498914.db2.gz MIUGEZIECSDXOA-LJQANCHMSA-N 0 1 475.996 4.632 20 0 JJADMN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 ZINC001444790589 1066504648 /nfs/dbraw/zinc/50/46/48/1066504648.db2.gz ZDENGHPHFPCVQX-UHFFFAOYSA-N 0 1 453.545 4.976 20 0 JJADMN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1cc(-c2ccccc2)n[nH]1 ZINC001456086681 1066506520 /nfs/dbraw/zinc/50/65/20/1066506520.db2.gz GSQILRQDSIRXBP-UHFFFAOYSA-N 0 1 457.193 4.952 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079356 1066508240 /nfs/dbraw/zinc/50/82/40/1066508240.db2.gz KMQKHMZDGMUPBD-UZINWLIJSA-N 0 1 487.714 4.705 20 0 JJADMN COc1ccc(CN(C(=O)Cn2cc(C)c(C(F)(F)F)n2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001456112489 1066511540 /nfs/dbraw/zinc/51/15/40/1066511540.db2.gz RODKPKZDUTXXBH-UHFFFAOYSA-N 0 1 457.456 4.637 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546079623 1066512992 /nfs/dbraw/zinc/51/29/92/1066512992.db2.gz QJHUBHJSGHSXPQ-CUVVAGTFSA-N 0 1 473.637 4.510 20 0 JJADMN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(-c2ccc(Br)cc2)no1 ZINC001456120305 1066514062 /nfs/dbraw/zinc/51/40/62/1066514062.db2.gz IBEXCTFOEJLOBA-UHFFFAOYSA-N 0 1 459.300 4.938 20 0 JJADMN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N[C@H]3CN(C)CC3(C)C)cc12 ZINC001456156889 1066525172 /nfs/dbraw/zinc/52/51/72/1066525172.db2.gz GGRJMFWGLHMVMH-SFHVURJKSA-N 0 1 451.423 4.831 20 0 JJADMN CSc1cccc([C@@H](NC(=O)c2ccc(Cc3nc[nH]n3)cc2)c2cc(F)ccc2F)c1 ZINC001445007122 1066529686 /nfs/dbraw/zinc/52/96/86/1066529686.db2.gz UIOSITXTRFBTBO-HSZRJFAPSA-N 0 1 450.514 4.915 20 0 JJADMN CC(C)c1c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cnn1-c1ccc(F)cc1 ZINC001456199202 1066535856 /nfs/dbraw/zinc/53/58/56/1066535856.db2.gz SOVVDGWYGFGIPR-UHFFFAOYSA-N 0 1 456.606 4.678 20 0 JJADMN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001456234181 1066541149 /nfs/dbraw/zinc/54/11/49/1066541149.db2.gz BRIWFGLGRGPYIF-UHFFFAOYSA-N 0 1 455.278 4.621 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](c2ccccc2Cl)N(C)C)o1 ZINC001361209508 1066542650 /nfs/dbraw/zinc/54/26/50/1066542650.db2.gz ZKRYPFNHWPRAFQ-SFHVURJKSA-N 0 1 497.949 4.696 20 0 JJADMN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001445230847 1066548083 /nfs/dbraw/zinc/54/80/83/1066548083.db2.gz GGOQTEWETMMJHY-IBGZPJMESA-N 0 1 456.587 4.650 20 0 JJADMN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270211 1066550709 /nfs/dbraw/zinc/55/07/09/1066550709.db2.gz JUAFYIVTDRENQW-NQVNOIMPSA-N 0 1 453.671 4.912 20 0 JJADMN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270212 1066550785 /nfs/dbraw/zinc/55/07/85/1066550785.db2.gz JUAFYIVTDRENQW-RFQWIFLJSA-N 0 1 453.671 4.912 20 0 JJADMN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001445319096 1066556480 /nfs/dbraw/zinc/55/64/80/1066556480.db2.gz APCVPBYBFVFMRV-LIRRHRJNSA-N 0 1 450.988 4.791 20 0 JJADMN CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c1 ZINC001456296042 1066557270 /nfs/dbraw/zinc/55/72/70/1066557270.db2.gz WZIPGOUBVGODRV-UHFFFAOYSA-N 0 1 450.604 4.894 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361221354 1066559963 /nfs/dbraw/zinc/55/99/63/1066559963.db2.gz WORACSWVFFXTKW-ACDBMABISA-N 0 1 490.490 4.750 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(CCc4ccccc4)CC3)n2CCSCC(C)C)o1 ZINC001361226004 1066564441 /nfs/dbraw/zinc/56/44/41/1066564441.db2.gz SZQZTNJZTIJEIK-UHFFFAOYSA-N 0 1 453.656 4.600 20 0 JJADMN CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001546081607 1066565911 /nfs/dbraw/zinc/56/59/11/1066565911.db2.gz SODLGIORDNGUSA-LVXARBLLSA-N 0 1 496.681 4.517 20 0 JJADMN O=C(C[C@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccc(F)cc1 ZINC001545975940 1066580433 /nfs/dbraw/zinc/58/04/33/1066580433.db2.gz CQHILHJZDBCADS-QGZVFWFLSA-N 0 1 456.315 4.856 20 0 JJADMN O=C(Nc1cc[nH+]c(N2CCCCC2)c1)c1cc(Br)c([O-])c(Br)c1 ZINC001456464359 1066592357 /nfs/dbraw/zinc/59/23/57/1066592357.db2.gz WSQRWWYFBACELT-UHFFFAOYSA-N 0 1 455.150 4.555 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1 ZINC001361250948 1066597973 /nfs/dbraw/zinc/59/79/73/1066597973.db2.gz UIWASKNSINQINS-UHFFFAOYSA-N 0 1 453.627 4.788 20 0 JJADMN CC(C)CCN1Cc2cccc(NC(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)c2C1 ZINC001361253674 1066601725 /nfs/dbraw/zinc/60/17/25/1066601725.db2.gz CEIQUAJMZDKMTF-OAQYLSRUSA-N 0 1 457.368 4.531 20 0 JJADMN CC(C)CCN1Cc2cccc(NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)c2C1 ZINC001361253673 1066601848 /nfs/dbraw/zinc/60/18/48/1066601848.db2.gz CEIQUAJMZDKMTF-NRFANRHFSA-N 0 1 457.368 4.531 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccco3)n[nH]2)c1C ZINC001445695764 1066605774 /nfs/dbraw/zinc/60/57/74/1066605774.db2.gz DULBILJKGNXDNW-KNQAVFIVSA-N 0 1 453.587 4.792 20 0 JJADMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(Br)cc(F)c2O)cc1 ZINC001445707743 1066607545 /nfs/dbraw/zinc/60/75/45/1066607545.db2.gz XAMYHADVLPVEGQ-GFCCVEGCSA-N 0 1 452.324 4.659 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001361261282 1066612864 /nfs/dbraw/zinc/61/28/64/1066612864.db2.gz NTRZDCLWCPAMPY-NRFANRHFSA-N 0 1 469.586 4.898 20 0 JJADMN Cc1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc(S(=O)(=O)N(C)C)c1C ZINC001361265537 1066617999 /nfs/dbraw/zinc/61/79/99/1066617999.db2.gz BXHCOYZIFSGUNS-UHFFFAOYSA-N 0 1 454.596 4.730 20 0 JJADMN CCN(C)[C@@H](C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624947 1066649020 /nfs/dbraw/zinc/64/90/20/1066649020.db2.gz WGVFSBDKORFUIF-XUZZJYLKSA-N 0 1 457.659 4.955 20 0 JJADMN O=C(c1cccc(I)c1O)N(CCc1cccc(F)c1)C1CCCC1 ZINC001446143902 1066665280 /nfs/dbraw/zinc/66/52/80/1066665280.db2.gz VIEAGDLAZRIGJX-UHFFFAOYSA-N 0 1 453.295 4.763 20 0 JJADMN CC1=CCCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001492609211 1066670317 /nfs/dbraw/zinc/67/03/17/1066670317.db2.gz OSVWBJOETKFAIH-OALUTQOASA-N 0 1 488.474 4.752 20 0 JJADMN CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](c2ccco2)N(C)C)C1 ZINC001492609929 1066671837 /nfs/dbraw/zinc/67/18/37/1066671837.db2.gz BGRGYFMFGGSLAX-LJQANCHMSA-N 0 1 474.378 4.899 20 0 JJADMN CC1=CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001492614080 1066677703 /nfs/dbraw/zinc/67/77/03/1066677703.db2.gz SUFBVVPHNJMRPQ-OAQYLSRUSA-N 0 1 476.090 4.737 20 0 JJADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001456735990 1066678404 /nfs/dbraw/zinc/67/84/04/1066678404.db2.gz XPJYYIARDZIGFH-RUZDIDTESA-N 0 1 455.646 4.805 20 0 JJADMN COc1ccc([C@@H](CN2CCCC2)NC(=O)C(F)(F)c2ccccc2Br)cc1 ZINC001446349645 1066694885 /nfs/dbraw/zinc/69/48/85/1066694885.db2.gz JPLUQKWIDZDXBF-LJQANCHMSA-N 0 1 453.327 4.503 20 0 JJADMN COc1ccc([C@H](CN2CCCC2)NC(=O)C(F)(F)c2ccccc2Br)cc1 ZINC001446349633 1066694953 /nfs/dbraw/zinc/69/49/53/1066694953.db2.gz JPLUQKWIDZDXBF-IBGZPJMESA-N 0 1 453.327 4.503 20 0 JJADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 ZINC001446526037 1066715464 /nfs/dbraw/zinc/71/54/64/1066715464.db2.gz NZKZWJBJXWVEJR-JOCHJYFZSA-N 0 1 459.951 4.906 20 0 JJADMN Cc1csc([C@H](C)Cn2c(CC(C)C)nnc2N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC001492637828 1066724578 /nfs/dbraw/zinc/72/45/78/1066724578.db2.gz AFMFWRLMQLNYAX-LJQANCHMSA-N 0 1 470.662 4.897 20 0 JJADMN Cc1csc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC001492637827 1066724625 /nfs/dbraw/zinc/72/46/25/1066724625.db2.gz AFMFWRLMQLNYAX-IBGZPJMESA-N 0 1 470.662 4.897 20 0 JJADMN CC(C)CN1Cc2cccc(NC(=O)c3nc(Br)ccc3Br)c2C1 ZINC001446632074 1066727203 /nfs/dbraw/zinc/72/72/03/1066727203.db2.gz DVBYGVIXVMZZIF-UHFFFAOYSA-N 0 1 453.178 4.831 20 0 JJADMN COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1 ZINC001446635767 1066727232 /nfs/dbraw/zinc/72/72/32/1066727232.db2.gz KBWHXDPVDQRLDW-QHCPKHFHSA-N 0 1 453.583 4.871 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C[C@@H]21 ZINC001446651614 1066729342 /nfs/dbraw/zinc/72/93/42/1066729342.db2.gz GIMXVOAZBDYAMP-AEGPPILISA-N 0 1 450.992 4.557 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001457014163 1066742770 /nfs/dbraw/zinc/74/27/70/1066742770.db2.gz ZMSYJSXXHZCMAS-HNNXBMFYSA-N 0 1 452.382 4.550 20 0 JJADMN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2nc(C)n[nH]2)c1 ZINC001492645415 1066745999 /nfs/dbraw/zinc/74/59/99/1066745999.db2.gz VNBLCJKIQUGSGP-HNNXBMFYSA-N 0 1 472.018 4.747 20 0 JJADMN Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2nnc(C)[nH]2)c1 ZINC001492645415 1066746006 /nfs/dbraw/zinc/74/60/06/1066746006.db2.gz VNBLCJKIQUGSGP-HNNXBMFYSA-N 0 1 472.018 4.747 20 0 JJADMN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cccc(I)c1O ZINC001446860440 1066749385 /nfs/dbraw/zinc/74/93/85/1066749385.db2.gz HRVRVOPWZJYADS-UHFFFAOYSA-N 0 1 458.246 4.518 20 0 JJADMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)c1cc2c(cccc2Br)[nH]1 ZINC001457038170 1066749961 /nfs/dbraw/zinc/74/99/61/1066749961.db2.gz CFJRUGPPSFLDQC-UHFFFAOYSA-N 0 1 452.081 4.961 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 ZINC001446980505 1066761500 /nfs/dbraw/zinc/76/15/00/1066761500.db2.gz IXKNQXRHKSLQKE-HSALFYBXSA-N 0 1 459.635 4.642 20 0 JJADMN O=C(c1c(F)ccc(Br)c1F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001446989847 1066763158 /nfs/dbraw/zinc/76/31/58/1066763158.db2.gz WEUXKIJOJUFMFA-CYBMUJFWSA-N 0 1 453.331 4.913 20 0 JJADMN CC(=O)c1ccc(O)c(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1 ZINC001447020054 1066766796 /nfs/dbraw/zinc/76/67/96/1066766796.db2.gz FJFRWRBCGOTKSJ-UHFFFAOYSA-N 0 1 459.211 4.753 20 0 JJADMN Cc1ccc(CSc2n[nH]c(NC(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)n2)cc1 ZINC001457161773 1066776778 /nfs/dbraw/zinc/77/67/78/1066776778.db2.gz NPMRUEBTGCPWMI-UHFFFAOYSA-N 0 1 451.531 4.501 20 0 JJADMN Cc1cccc(CN2CCCC[C@H]2C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195880 1066784879 /nfs/dbraw/zinc/78/48/79/1066784879.db2.gz MIMMBYYJFJGHBJ-VWNXMTODSA-N 0 1 457.659 4.893 20 0 JJADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)n[nH]1 ZINC001447284279 1066787924 /nfs/dbraw/zinc/78/79/24/1066787924.db2.gz GQANKXBRHPROQU-QGZVFWFLSA-N 0 1 457.644 4.740 20 0 JJADMN CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)ccc1F ZINC001457278798 1066802726 /nfs/dbraw/zinc/80/27/26/1066802726.db2.gz ZZLWUIKVEVUVKW-UHFFFAOYSA-N 0 1 458.559 4.689 20 0 JJADMN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](c2ccco2)N(C)C)cs1 ZINC001492674914 1066809209 /nfs/dbraw/zinc/80/92/09/1066809209.db2.gz YICDNGSHBHBSBN-GOSISDBHSA-N 0 1 482.576 4.699 20 0 JJADMN Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cc1 ZINC001447460331 1066812229 /nfs/dbraw/zinc/81/22/29/1066812229.db2.gz YZSNZYQISMQDME-FQEVSTJZSA-N 0 1 453.930 4.971 20 0 JJADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC001447486976 1066814606 /nfs/dbraw/zinc/81/46/06/1066814606.db2.gz NVCQTDURZGYKNU-UHFFFAOYSA-N 0 1 454.317 4.938 20 0 JJADMN O=C(N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ncc(Br)cc1O ZINC001447490710 1066815196 /nfs/dbraw/zinc/81/51/96/1066815196.db2.gz VGSYUGAJJUKSNK-LLVKDONJSA-N 0 1 457.168 4.992 20 0 JJADMN CC[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CCN1Cc1ccccc1 ZINC001447514048 1066817368 /nfs/dbraw/zinc/81/73/68/1066817368.db2.gz VBCRSLFODYPUBB-GOSISDBHSA-N 0 1 451.792 4.604 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492686971 1066832011 /nfs/dbraw/zinc/83/20/11/1066832011.db2.gz PYVBZPTXAKVXCQ-RKVPGOIHSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@@H](C)C2)[nH]1 ZINC001492686971 1066832018 /nfs/dbraw/zinc/83/20/18/1066832018.db2.gz PYVBZPTXAKVXCQ-RKVPGOIHSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1n[nH]c(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@H](C)C2)n1 ZINC001492686972 1066832102 /nfs/dbraw/zinc/83/21/02/1066832102.db2.gz PYVBZPTXAKVXCQ-RVKKMQEKSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1nnc(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC001492686972 1066832107 /nfs/dbraw/zinc/83/21/07/1066832107.db2.gz PYVBZPTXAKVXCQ-RVKKMQEKSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1n[nH]c(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@H](C(F)F)C2)n1 ZINC001492687527 1066833129 /nfs/dbraw/zinc/83/31/29/1066833129.db2.gz ZKYCDIOSIVCSEU-WBVHZDCISA-N 0 1 493.990 4.839 20 0 JJADMN Cc1nnc(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@H](C(F)F)C2)[nH]1 ZINC001492687527 1066833137 /nfs/dbraw/zinc/83/31/37/1066833137.db2.gz ZKYCDIOSIVCSEU-WBVHZDCISA-N 0 1 493.990 4.839 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@H](C)CC2)n1 ZINC001492688208 1066834420 /nfs/dbraw/zinc/83/44/20/1066834420.db2.gz HJABIORBIVILSQ-IBGZPJMESA-N 0 1 451.619 4.666 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@H](C)CC2)[nH]1 ZINC001492688208 1066834431 /nfs/dbraw/zinc/83/44/31/1066834431.db2.gz HJABIORBIVILSQ-IBGZPJMESA-N 0 1 451.619 4.666 20 0 JJADMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(C)c2ccc(OC(C)C)cc2)ccc1F ZINC001447692903 1066843471 /nfs/dbraw/zinc/84/34/71/1066843471.db2.gz MABNQLLTHKEJDO-UHFFFAOYSA-N 0 1 456.539 4.999 20 0 JJADMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)[C@@H]1CCO[C@H]1C1CC1 ZINC001457501122 1066844041 /nfs/dbraw/zinc/84/40/41/1066844041.db2.gz ACFWJERSMSZNDA-APWZRJJASA-N 0 1 455.363 4.548 20 0 JJADMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC001457503676 1066844615 /nfs/dbraw/zinc/84/46/15/1066844615.db2.gz NVGMTCMUHKJCCO-CHWSQXEVSA-N 0 1 453.269 4.931 20 0 JJADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)n2)cc1 ZINC001457519183 1066850275 /nfs/dbraw/zinc/85/02/75/1066850275.db2.gz MGQRHKFSQDZWLZ-IBGZPJMESA-N 0 1 453.587 4.926 20 0 JJADMN CCN(CCC[NH+](C)C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC001447789754 1066857766 /nfs/dbraw/zinc/85/77/66/1066857766.db2.gz FETPTIHFOHPLRF-UHFFFAOYSA-N 0 1 459.656 4.507 20 0 JJADMN Cc1ncc(Cn2c(CC(C)(C)C)nnc2N2CCCN(Cc3ccc(F)cc3)CC2)s1 ZINC001492701444 1066858589 /nfs/dbraw/zinc/85/85/89/1066858589.db2.gz UXYHHDWTAPESJC-UHFFFAOYSA-N 0 1 456.635 4.531 20 0 JJADMN CCCOc1c(Cl)cc(C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1OCC ZINC001457562501 1066862209 /nfs/dbraw/zinc/86/22/09/1066862209.db2.gz KXWSKZGWIQRRNK-UHFFFAOYSA-N 0 1 453.023 4.540 20 0 JJADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457565309 1066864092 /nfs/dbraw/zinc/86/40/92/1066864092.db2.gz ILMJBRSTYZLDAT-XQQFMLRXSA-N 0 1 459.805 4.634 20 0 JJADMN CO[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccccc1Br ZINC001448060054 1066895226 /nfs/dbraw/zinc/89/52/26/1066895226.db2.gz DKVASPFYKOVNEF-QZTJIDSGSA-N 0 1 459.306 4.575 20 0 JJADMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3csc(-c4sccc4Br)n3)n2)o1 ZINC001457689658 1066898293 /nfs/dbraw/zinc/89/82/93/1066898293.db2.gz OSVLRCMATWJWEL-UHFFFAOYSA-N 0 1 450.343 4.502 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)[nH]c2c1 ZINC001448106262 1066900061 /nfs/dbraw/zinc/90/00/61/1066900061.db2.gz RNIUPZCFOSXGCK-LLVKDONJSA-N 0 1 458.305 4.952 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)c3cnc(-c4ccccc4Br)s3)[nH]c2c1 ZINC001448114430 1066900940 /nfs/dbraw/zinc/90/09/40/1066900940.db2.gz HKDRTFNUNJJWGT-LLVKDONJSA-N 0 1 457.353 4.949 20 0 JJADMN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccsc3)N(C)C)C2)n1 ZINC001492731789 1066903285 /nfs/dbraw/zinc/90/32/85/1066903285.db2.gz XDGMNIRGHRBCHZ-FGZHOGPDSA-N 0 1 469.703 4.886 20 0 JJADMN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccsc3)N(C)C)C2)n1 ZINC001492731790 1066903307 /nfs/dbraw/zinc/90/33/07/1066903307.db2.gz XDGMNIRGHRBCHZ-VXKWHMMOSA-N 0 1 469.703 4.886 20 0 JJADMN CC[C@@H](C)n1nc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1C ZINC001457722803 1066904777 /nfs/dbraw/zinc/90/47/77/1066904777.db2.gz QLZXDBPHRKGICQ-MRXNPFEDSA-N 0 1 456.568 4.533 20 0 JJADMN Cc1ccc(-c2nc(SCC(=O)Nc3cc(Br)cc(Cl)c3O)n[nH]2)cc1 ZINC001457731872 1066906326 /nfs/dbraw/zinc/90/63/26/1066906326.db2.gz BPOGSEXAEYRWDF-UHFFFAOYSA-N 0 1 453.749 4.632 20 0 JJADMN O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC001457746664 1066909795 /nfs/dbraw/zinc/90/97/95/1066909795.db2.gz QOEMTSCIDDTZMS-UHFFFAOYSA-N 0 1 455.845 4.807 20 0 JJADMN CC[C@H](CN(C)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Oc1ccc(Cl)c(Cl)c1 ZINC001457745903 1066909816 /nfs/dbraw/zinc/90/98/16/1066909816.db2.gz QXZKKYSEWACCJB-GFCCVEGCSA-N 0 1 452.363 4.861 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)CCc1ccc(OC)c(Cl)c1 ZINC001457790768 1066921855 /nfs/dbraw/zinc/92/18/55/1066921855.db2.gz ZJQVAVPTRPLOKL-FQEVSTJZSA-N 0 1 455.986 4.521 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N3CCCN(Cc4ccc(F)cc4)CC3)n2CCCC(C)(C)C)n1 ZINC001492751955 1066926312 /nfs/dbraw/zinc/92/63/12/1066926312.db2.gz WNOUPGINGFVEQH-UHFFFAOYSA-N 0 1 481.664 4.817 20 0 JJADMN O=Cc1ccc(-c2ccc(C(=O)N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)c(O)c2)o1 ZINC001448430270 1066926388 /nfs/dbraw/zinc/92/63/88/1066926388.db2.gz NXLUEXQEHBJBTG-KRWDZBQOSA-N 0 1 453.800 4.600 20 0 JJADMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CS[C@@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860279 1066932701 /nfs/dbraw/zinc/93/27/01/1066932701.db2.gz JNKWCMIFQGPCAQ-JSGCOSHPSA-N 0 1 459.420 4.726 20 0 JJADMN O=C(Cc1c(F)ccc(Br)c1F)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC001448500590 1066933662 /nfs/dbraw/zinc/93/36/62/1066933662.db2.gz DXUBLENHVLTNES-CYBMUJFWSA-N 0 1 452.343 4.714 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3C[C@H]3C3CCC3)ccc2Cl)cc1 ZINC001457871915 1066934103 /nfs/dbraw/zinc/93/41/03/1066934103.db2.gz GMCHLGFJVYQJCN-PXNSSMCTSA-N 0 1 462.999 4.706 20 0 JJADMN CCn1cc(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC001457977398 1066950756 /nfs/dbraw/zinc/95/07/56/1066950756.db2.gz CXGYWLCZWAKDLK-OAQYLSRUSA-N 0 1 451.998 4.802 20 0 JJADMN CCc1[nH]nc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c1Br ZINC001448725299 1066954211 /nfs/dbraw/zinc/95/42/11/1066954211.db2.gz ZTBSOSDCYLTVGS-UHFFFAOYSA-N 0 1 454.368 4.525 20 0 JJADMN Cc1[nH]c(SCC(=O)NCCc2cccc(Br)c2C)nc1Cc1ccccc1 ZINC001457999486 1066955318 /nfs/dbraw/zinc/95/53/18/1066955318.db2.gz YDGGZJUHGRZLEE-UHFFFAOYSA-N 0 1 458.425 4.831 20 0 JJADMN C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccccc1 ZINC001458005121 1066955887 /nfs/dbraw/zinc/95/58/87/1066955887.db2.gz QDDIFQAICKIOKF-CBJLPSGESA-N 0 1 457.659 4.972 20 0 JJADMN COc1ccc(C(=O)CC(C)(C)CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC001448919423 1066969603 /nfs/dbraw/zinc/96/96/03/1066969603.db2.gz HKRGHGQMTCLKRK-UHFFFAOYSA-N 0 1 454.533 4.606 20 0 JJADMN FC(F)(F)c1cccc(N2CCN(CCCNc3ccnc(Cc4ccccc4)n3)CC2)c1 ZINC001458083759 1066970440 /nfs/dbraw/zinc/97/04/40/1066970440.db2.gz WFOJUBMZNCPPAV-UHFFFAOYSA-N 0 1 455.528 4.710 20 0 JJADMN CC[C@@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545722222 1066977891 /nfs/dbraw/zinc/97/78/91/1066977891.db2.gz QQPMWLZBFTURME-JWQCQUIFSA-N 0 1 465.642 4.715 20 0 JJADMN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113151 1066979377 /nfs/dbraw/zinc/97/93/77/1066979377.db2.gz LLKRQKXUZFAEBF-BZPMIXESSA-N 0 1 453.290 4.547 20 0 JJADMN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N(C)CCCN(C)Cc1ccco1)OCC3 ZINC001449232625 1066991755 /nfs/dbraw/zinc/99/17/55/1066991755.db2.gz ZISNHDLGOXVOFD-HHHXNRCGSA-N 0 1 451.611 4.872 20 0 JJADMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1cc(Cl)cc(Br)c1F ZINC001449263159 1066993697 /nfs/dbraw/zinc/99/36/97/1066993697.db2.gz SQLVBTSDMDLNMG-UHFFFAOYSA-N 0 1 458.118 4.653 20 0 JJADMN CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735899 1066999502 /nfs/dbraw/zinc/99/95/02/1066999502.db2.gz IDNGLLVTVGFHSO-YLWPMPOJSA-N 0 1 483.701 4.569 20 0 JJADMN C[C@H](C(=O)N1CCN(C)c2cc(Br)ccc21)N1CCC(Cc2ccccc2)CC1 ZINC001449329785 1067000109 /nfs/dbraw/zinc/00/01/09/1067000109.db2.gz RBCJEHZBQRZSTC-GOSISDBHSA-N 0 1 456.428 4.575 20 0 JJADMN CCN1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)[C@H](C)C1 ZINC001449337852 1067001844 /nfs/dbraw/zinc/00/18/44/1067001844.db2.gz SJCYHNCIZJUHCQ-GOSISDBHSA-N 0 1 450.608 4.657 20 0 JJADMN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC001449361587 1067004184 /nfs/dbraw/zinc/00/41/84/1067004184.db2.gz LDDYBDBLLQYBGK-JPVAHNOFSA-N 0 1 456.533 4.542 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001458214167 1067004415 /nfs/dbraw/zinc/00/44/15/1067004415.db2.gz PCLUKTGOJONCOW-CJRSTVEYSA-N 0 1 455.643 4.501 20 0 JJADMN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001449366167 1067004646 /nfs/dbraw/zinc/00/46/46/1067004646.db2.gz YDJWHGGHLIZWBK-ILBGXUMGSA-N 0 1 459.055 4.876 20 0 JJADMN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC001449366344 1067005014 /nfs/dbraw/zinc/00/50/14/1067005014.db2.gz YMAZSAZFPYPBKB-KRWDZBQOSA-N 0 1 450.366 4.508 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545745911 1067013449 /nfs/dbraw/zinc/01/34/49/1067013449.db2.gz ICTHKXLLYGLKKR-OARDWFSCSA-N 0 1 483.701 4.572 20 0 JJADMN CNc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)c(Cl)c1 ZINC001449608594 1067017475 /nfs/dbraw/zinc/01/74/75/1067017475.db2.gz NIEIGNXUXMOMLE-CYBMUJFWSA-N 0 1 451.796 4.537 20 0 JJADMN Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(Br)ccc3N3CCN(C)C[C@H]3C)cc21 ZINC001449609650 1067017840 /nfs/dbraw/zinc/01/78/40/1067017840.db2.gz RSURTCVQGIFJQV-CQSZACIVSA-N 0 1 459.363 4.771 20 0 JJADMN CCSCc1ccc(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001449732475 1067023912 /nfs/dbraw/zinc/02/39/12/1067023912.db2.gz NEFHRFJLJWDGPI-QFIPXVFZSA-N 0 1 457.640 4.904 20 0 JJADMN CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001449907271 1067036406 /nfs/dbraw/zinc/03/64/06/1067036406.db2.gz XGXURXVMFLSSBT-HXUWFJFHSA-N 0 1 456.951 4.745 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545758499 1067038124 /nfs/dbraw/zinc/03/81/24/1067038124.db2.gz IEYYSQXJUABSBW-SAZLYLDSSA-N 0 1 483.701 4.571 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758595 1067038964 /nfs/dbraw/zinc/03/89/64/1067038964.db2.gz JKAYLJAHEYWMBS-OFVILXPXSA-N 0 1 463.674 4.560 20 0 JJADMN Cc1cccc(C(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1I ZINC001449967153 1067039127 /nfs/dbraw/zinc/03/91/27/1067039127.db2.gz BDAUIPXNDWRRJF-NSHDSACASA-N 0 1 453.711 4.963 20 0 JJADMN Cc1cccc(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1I ZINC001449967141 1067039157 /nfs/dbraw/zinc/03/91/57/1067039157.db2.gz BDAUIPXNDWRRJF-LLVKDONJSA-N 0 1 453.711 4.963 20 0 JJADMN COc1cc(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc(Br)c1OC ZINC001449972292 1067039534 /nfs/dbraw/zinc/03/95/34/1067039534.db2.gz QUNDATRMYSUUML-SNVBAGLBSA-N 0 1 452.736 4.829 20 0 JJADMN CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545761196 1067044877 /nfs/dbraw/zinc/04/48/77/1067044877.db2.gz OFGNRDNUJCGORB-PEISPCAHSA-N 0 1 497.728 4.959 20 0 JJADMN CCCC[C@H](C)N(CCCC)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC001450070273 1067046994 /nfs/dbraw/zinc/04/69/94/1067046994.db2.gz DFYJACLLYOLGEC-AWEZNQCLSA-N 0 1 454.352 4.954 20 0 JJADMN CCOc1ccc(Br)c(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)c1F ZINC001450077580 1067048129 /nfs/dbraw/zinc/04/81/29/1067048129.db2.gz SCOVEVGSAJNACT-UHFFFAOYSA-N 0 1 456.275 4.573 20 0 JJADMN O=C(c1cccc(I)c1O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001450160285 1067056660 /nfs/dbraw/zinc/05/66/60/1067056660.db2.gz SOUSEFZYWWRMKD-ZDUSSCGKSA-N 0 1 459.736 4.657 20 0 JJADMN COc1ccc(-c2nnc(NC(=O)c3cc(-c4ccc(Br)cc4)no3)s2)cc1 ZINC001458422365 1067057129 /nfs/dbraw/zinc/05/71/29/1067057129.db2.gz UKTHJYVRAJFXBW-UHFFFAOYSA-N 0 1 457.309 4.884 20 0 JJADMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC001450217583 1067060846 /nfs/dbraw/zinc/06/08/46/1067060846.db2.gz MGCNJXQPOXKYLL-UHFFFAOYSA-N 0 1 452.532 4.655 20 0 JJADMN Cc1ccc(C2(C(=O)NC[C@@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445443 1067062743 /nfs/dbraw/zinc/06/27/43/1067062743.db2.gz CGVYLKKBNCABLY-RDPSFJRHSA-N 0 1 459.005 4.953 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449645 1067064364 /nfs/dbraw/zinc/06/43/64/1067064364.db2.gz SGHYEGFFYYQGOK-SIKLNZKXSA-N 0 1 459.993 4.678 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449537 1067064402 /nfs/dbraw/zinc/06/44/02/1067064402.db2.gz RWOOYYVEURBXCW-CYFREDJKSA-N 0 1 453.945 4.876 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458449558 1067064710 /nfs/dbraw/zinc/06/47/10/1067064710.db2.gz RWOOYYVEURBXCW-YADARESESA-N 0 1 453.945 4.876 20 0 JJADMN CCC(CC)(Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCC2)CC1)OC ZINC001545775786 1067069373 /nfs/dbraw/zinc/06/93/73/1067069373.db2.gz KQSOEKQQIQBEIT-UHFFFAOYSA-N 0 1 476.463 4.587 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC001450360022 1067073291 /nfs/dbraw/zinc/07/32/91/1067073291.db2.gz IUBDZCROKMVRTI-NRFANRHFSA-N 0 1 457.546 4.718 20 0 JJADMN CN1CCN(c2ccc(Br)cc2NC(=O)c2csc(-c3ccccc3)n2)CC1 ZINC001458535360 1067083459 /nfs/dbraw/zinc/08/34/59/1067083459.db2.gz DHJGDYSNOSCCMR-UHFFFAOYSA-N 0 1 457.397 4.577 20 0 JJADMN COc1ccc(CN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)[C@@H](C)C2CC2)cc1 ZINC001450685483 1067102634 /nfs/dbraw/zinc/10/26/34/1067102634.db2.gz GTTSEIVKAMIWJH-FQEVSTJZSA-N 0 1 456.030 4.688 20 0 JJADMN COc1ccc(CN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)[C@H](C)C2CC2)cc1 ZINC001450685486 1067102640 /nfs/dbraw/zinc/10/26/40/1067102640.db2.gz GTTSEIVKAMIWJH-HXUWFJFHSA-N 0 1 456.030 4.688 20 0 JJADMN CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1)N1CCOCC1 ZINC001545802870 1067111278 /nfs/dbraw/zinc/11/12/78/1067111278.db2.gz CZFPQAYMGOIJKK-TUSQITKMSA-N 0 1 469.674 4.505 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@@H](C)C1)N1CCOCC1 ZINC001545805257 1067118949 /nfs/dbraw/zinc/11/89/49/1067118949.db2.gz KBUYYXHKRLOIFW-WOVHNISZSA-N 0 1 499.700 4.582 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](C)CCOCc2ccccc2)cc1 ZINC001450803409 1067123391 /nfs/dbraw/zinc/12/33/91/1067123391.db2.gz XHOCVPAIIJBIIB-GOSISDBHSA-N 0 1 458.605 4.583 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1C)N1CCOCC1 ZINC001545807470 1067126116 /nfs/dbraw/zinc/12/61/16/1067126116.db2.gz ILRWUNIONYKIKC-XMSQKQJNSA-N 0 1 476.065 4.733 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(F)F)C1)N1CCOCC1 ZINC001545808167 1067132210 /nfs/dbraw/zinc/13/22/10/1067132210.db2.gz UGDGVWGRCOJOPC-PMACEKPBSA-N 0 1 497.034 4.612 20 0 JJADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCCN3C(=O)C=Cc3ccc(Cl)cc3)c2C)o1 ZINC001450902160 1067134550 /nfs/dbraw/zinc/13/45/50/1067134550.db2.gz OAVWADLLINVPRQ-RKWFYDHTSA-N 0 1 452.942 4.973 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545810360 1067138147 /nfs/dbraw/zinc/13/81/47/1067138147.db2.gz VDNLGIKSLJTEMT-ISKFKSNPSA-N 0 1 483.701 4.963 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl)N1CCOCC1 ZINC001545810367 1067138244 /nfs/dbraw/zinc/13/82/44/1067138244.db2.gz VGTPMJZURZKCLL-QHCPKHFHSA-N 0 1 489.039 4.839 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccoc1)N1CCOCC1 ZINC001545810296 1067138261 /nfs/dbraw/zinc/13/82/61/1067138261.db2.gz UGHUDQCJTWBYTR-HSZRJFAPSA-N 0 1 472.033 4.965 20 0 JJADMN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc(F)c(F)c1O ZINC001450993532 1067138698 /nfs/dbraw/zinc/13/86/98/1067138698.db2.gz SFTOXSRHPSAJRQ-UHFFFAOYSA-N 0 1 451.223 4.555 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(C)C)C1)N1CCOCC1 ZINC001545814951 1067143458 /nfs/dbraw/zinc/14/34/58/1067143458.db2.gz JUXNVQOZEGGTDY-KMDXXIMOSA-N 0 1 461.695 4.529 20 0 JJADMN CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC001545816092 1067146026 /nfs/dbraw/zinc/14/60/26/1067146026.db2.gz ZVGCWIWAKYVRCX-JOCHJYFZSA-N 0 1 479.591 4.736 20 0 JJADMN CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC001545817674 1067151147 /nfs/dbraw/zinc/15/11/47/1067151147.db2.gz NZVWMNQPUKUKLB-JWQCQUIFSA-N 0 1 453.675 4.608 20 0 JJADMN CCC(CC)[C@H](Cn1c(N2CC[C@H](COc3ccccc3)C2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819291 1067153788 /nfs/dbraw/zinc/15/37/88/1067153788.db2.gz COKQJUKIIRTNHR-DHLKQENFSA-N 0 1 483.701 4.618 20 0 JJADMN CCC(CC)[C@@H](Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819361 1067154438 /nfs/dbraw/zinc/15/44/38/1067154438.db2.gz DSKGUAIZFSAAMB-AREMUKBSSA-N 0 1 497.728 4.898 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(c2cc(C3CCN(C(=O)C[C@@H]4C=CCCC4)CC3)n[nH]2)CC1 ZINC001451239625 1067154586 /nfs/dbraw/zinc/15/45/86/1067154586.db2.gz BBKNGPYSMCNXFR-LJQANCHMSA-N 0 1 456.631 4.977 20 0 JJADMN CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1C)N1CCOCC1 ZINC001545820540 1067160532 /nfs/dbraw/zinc/16/05/32/1067160532.db2.gz ZMUSAUDDRNPIJT-VWNXMTODSA-N 0 1 469.674 4.600 20 0 JJADMN COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c3cccnc23)N2CCCCC2)cc1 ZINC001458829176 1067160713 /nfs/dbraw/zinc/16/07/13/1067160713.db2.gz OLFXYERGYOVXRL-QFIPXVFZSA-N 0 1 453.970 4.619 20 0 JJADMN Cc1cc(F)ccc1-n1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)n1 ZINC001458834962 1067163608 /nfs/dbraw/zinc/16/36/08/1067163608.db2.gz ICDJAEDSTMDSOI-HSZRJFAPSA-N 0 1 456.512 4.944 20 0 JJADMN CC(C)([C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458838817 1067166125 /nfs/dbraw/zinc/16/61/25/1067166125.db2.gz UABPUHBKMUGDNN-QHCPKHFHSA-N 0 1 454.496 4.906 20 0 JJADMN CCC(CC)c1cc(Cn2c(N3CCN(CCc4ccccc4)CC3)nnc2C(C)(C)C)on1 ZINC001545826563 1067175120 /nfs/dbraw/zinc/17/51/20/1067175120.db2.gz PTAVRWWXFUFELP-UHFFFAOYSA-N 0 1 464.658 4.880 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001545828104 1067178277 /nfs/dbraw/zinc/17/82/77/1067178277.db2.gz KDIZIRFCDLLJCO-JOCHJYFZSA-N 0 1 464.614 4.703 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)n[nH]2)c1C ZINC001451648607 1067182322 /nfs/dbraw/zinc/18/23/22/1067182322.db2.gz HWVPHBCRZRVDBN-IBGZPJMESA-N 0 1 457.619 4.664 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)CN(C(C)(C)C)CC4)n[nH]2)c1C ZINC001451893554 1067196673 /nfs/dbraw/zinc/19/66/73/1067196673.db2.gz YAXSWJSRMNSVML-ZDUSSCGKSA-N 0 1 455.632 4.726 20 0 JJADMN CC[C@H](Oc1ccccc1C)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC001451927726 1067198797 /nfs/dbraw/zinc/19/87/97/1067198797.db2.gz XLRJPNIKBMZHIV-UGKGYDQZSA-N 0 1 454.368 4.812 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001545849938 1067204641 /nfs/dbraw/zinc/20/46/41/1067204641.db2.gz WWLYHQASKIVDCQ-NRSPTQNISA-N 0 1 472.703 4.720 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001545849935 1067204778 /nfs/dbraw/zinc/20/47/78/1067204778.db2.gz WWLYHQASKIVDCQ-GIVPXCGWSA-N 0 1 472.703 4.720 20 0 JJADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c32)[nH]1 ZINC001458950755 1067205950 /nfs/dbraw/zinc/20/59/50/1067205950.db2.gz BZKNXFFBXNJVAJ-UHFFFAOYSA-N 0 1 455.559 4.869 20 0 JJADMN Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)ccc1Br ZINC001458953981 1067207449 /nfs/dbraw/zinc/20/74/49/1067207449.db2.gz ARNQEIYWEIJKSA-SNVBAGLBSA-N 0 1 453.312 4.940 20 0 JJADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC001458961532 1067209894 /nfs/dbraw/zinc/20/98/94/1067209894.db2.gz SMBVKMLHUQEGEJ-UHFFFAOYSA-N 0 1 454.506 4.592 20 0 JJADMN CCCCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)cc1 ZINC001458965627 1067211628 /nfs/dbraw/zinc/21/16/28/1067211628.db2.gz WRLMNKVIVGUDRL-UHFFFAOYSA-N 0 1 450.564 4.648 20 0 JJADMN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001452246920 1067215647 /nfs/dbraw/zinc/21/56/47/1067215647.db2.gz NEEYQOVUEXNQEC-JOCHJYFZSA-N 0 1 459.468 4.779 20 0 JJADMN Nn1c(SCc2nccc(Cl)c2Cl)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC001458995343 1067223899 /nfs/dbraw/zinc/22/38/99/1067223899.db2.gz YXHZMGWKWIBABW-UHFFFAOYSA-N 0 1 452.758 4.697 20 0 JJADMN CN1CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C[C@@H]1C(C)(C)C ZINC001452605185 1067236196 /nfs/dbraw/zinc/23/61/96/1067236196.db2.gz WDARWQMMNVEKRV-HSZRJFAPSA-N 0 1 459.700 4.810 20 0 JJADMN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)[C@@H]1CCCCO1 ZINC001452630020 1067238714 /nfs/dbraw/zinc/23/87/14/1067238714.db2.gz GFNDJWLCZXWXGG-ICSRJNTNSA-N 0 1 450.988 4.527 20 0 JJADMN Cc1c2cccc(C)c2oc1CN(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001452840354 1067257158 /nfs/dbraw/zinc/25/71/58/1067257158.db2.gz DEFBAZYEGKUCLY-KRWDZBQOSA-N 0 1 452.555 4.769 20 0 JJADMN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001452958211 1067267699 /nfs/dbraw/zinc/26/76/99/1067267699.db2.gz MQWMPOWKSVSJLQ-IAGOWNOFSA-N 0 1 459.571 4.853 20 0 JJADMN Cc1ccc2[nH]c(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@@H](NC(=O)C(F)(F)F)C3)c(Cl)c2c1 ZINC001453135276 1067283300 /nfs/dbraw/zinc/28/33/00/1067283300.db2.gz YQVBKZJKPTYKGB-YJBOKZPZSA-N 0 1 481.877 4.946 20 0 JJADMN COc1ccc(CN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C)C2CC2)cc1 ZINC001459355671 1067302019 /nfs/dbraw/zinc/30/20/19/1067302019.db2.gz YDDCKXZZKWXRBD-ZDUSSCGKSA-N 0 1 453.327 4.975 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Br)cc3OC)n[nH]2)cc1 ZINC001453394334 1067302904 /nfs/dbraw/zinc/30/29/04/1067302904.db2.gz BJBGHNHOHZHZAP-HXUWFJFHSA-N 0 1 456.340 4.834 20 0 JJADMN Cc1sc2ncnc(SCC(=O)N3CCN(Cc4ccccc4)[C@H](C(C)C)C3)c2c1C ZINC001453493726 1067309349 /nfs/dbraw/zinc/30/93/49/1067309349.db2.gz GWMQMDXGOCRVCR-FQEVSTJZSA-N 0 1 454.665 4.769 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CCN1Cc1ccccc1 ZINC001453496437 1067309462 /nfs/dbraw/zinc/30/94/62/1067309462.db2.gz MFPKZDMSYGGFBE-NRFANRHFSA-N 0 1 457.496 4.942 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001453495271 1067309548 /nfs/dbraw/zinc/30/95/48/1067309548.db2.gz KSIMVKDXFHIUBT-ZEQRLZLVSA-N 0 1 451.611 4.621 20 0 JJADMN CC(C)[C@H]1CN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CCN1Cc1ccccc1 ZINC001453502457 1067310042 /nfs/dbraw/zinc/31/00/42/1067310042.db2.gz XERZLYDLTAUXRO-HSZRJFAPSA-N 0 1 455.643 4.678 20 0 JJADMN O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001453514316 1067310381 /nfs/dbraw/zinc/31/03/81/1067310381.db2.gz ZGULRQPUUGOKMW-RDJZCZTQSA-N 0 1 456.951 4.662 20 0 JJADMN CC(C)(C)c1ccc2c(c1)CCN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001459400421 1067313807 /nfs/dbraw/zinc/31/38/07/1067313807.db2.gz RKPAZUFKYVQFAG-RUZDIDTESA-N 0 1 454.058 4.949 20 0 JJADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N(C)CCCc1cc(-c2ccccc2)no1 ZINC001459410888 1067315542 /nfs/dbraw/zinc/31/55/42/1067315542.db2.gz GYTFFNVQRYHGIL-KRWDZBQOSA-N 0 1 455.580 4.780 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc3nc(C(F)F)[nH]c32)C1 ZINC001453578688 1067315809 /nfs/dbraw/zinc/31/58/09/1067315809.db2.gz CYJXFAIYJVSWIE-FUHWJXTLSA-N 0 1 456.493 4.633 20 0 JJADMN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453680373 1067321711 /nfs/dbraw/zinc/32/17/11/1067321711.db2.gz JAIIOVLPORTLBF-BHIYHBOVSA-N 0 1 468.903 4.561 20 0 JJADMN CCCc1sc(C(=O)N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1CC ZINC001453768124 1067328390 /nfs/dbraw/zinc/32/83/90/1067328390.db2.gz CRWBKIYXJCNWFC-XMMPIXPASA-N 0 1 458.628 4.521 20 0 JJADMN CCS[C@@H]1CCCCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC001459461379 1067329995 /nfs/dbraw/zinc/32/99/95/1067329995.db2.gz DDUVHAHMTLFVDB-ILBGXUMGSA-N 0 1 451.636 4.981 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[C@@H](O)c2ccccc21 ZINC001459546351 1067348402 /nfs/dbraw/zinc/34/84/02/1067348402.db2.gz WANUUDOIPFUZIT-OUOWLKGYSA-N 0 1 454.542 4.578 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)[C@H](O)c2ccccc21 ZINC001459546354 1067348583 /nfs/dbraw/zinc/34/85/83/1067348583.db2.gz WANUUDOIPFUZIT-RVSNTGDXSA-N 0 1 454.542 4.578 20 0 JJADMN CO[C@]1(C)C[C@H](N(C)CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459555002 1067350385 /nfs/dbraw/zinc/35/03/85/1067350385.db2.gz BIIQKKQNURAQCK-VQEMNGCCSA-N 0 1 451.611 4.594 20 0 JJADMN CCOC(=O)C1C(CN2CC[C@H](C)C[C@H]2c2ccco2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459563731 1067352187 /nfs/dbraw/zinc/35/21/87/1067352187.db2.gz NCEHQRXYVHYQGU-WQFQCULDSA-N 0 1 457.958 4.577 20 0 JJADMN CCC1(CC)CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546110471 1067362655 /nfs/dbraw/zinc/36/26/55/1067362655.db2.gz AMEYSTUMXRHGDH-GOTSBHOMSA-N 0 1 467.702 4.968 20 0 JJADMN O=C(CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611802 1067363679 /nfs/dbraw/zinc/36/36/79/1067363679.db2.gz YHYUYFBBTVGMRJ-MJGOQNOKSA-N 0 1 458.521 4.891 20 0 JJADMN CC[C@@H]1CN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@H]1c1ccccc1 ZINC001459624076 1067366720 /nfs/dbraw/zinc/36/67/20/1067366720.db2.gz CKWBHBDGVZOWRB-MBOZVWFJSA-N 0 1 459.512 4.895 20 0 JJADMN CC[C@@H]1CN([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@H]1c1ccccc1 ZINC001459624080 1067366996 /nfs/dbraw/zinc/36/69/96/1067366996.db2.gz CKWBHBDGVZOWRB-SQGPQFPESA-N 0 1 459.512 4.895 20 0 JJADMN COc1ccc(C(NC(=O)CN2CCSC3(CCCCC3)C2)c2ccc(OC)cc2)cc1 ZINC001459640417 1067370445 /nfs/dbraw/zinc/37/04/45/1067370445.db2.gz ZWMZWEJPQGDFPI-UHFFFAOYSA-N 0 1 454.636 4.661 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110804 1067373764 /nfs/dbraw/zinc/37/37/64/1067373764.db2.gz OAJHOKSJTURSOO-BGYRXZFFSA-N 0 1 459.704 4.835 20 0 JJADMN COc1ccc(C[C@@H]2CCN2[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660627 1067374321 /nfs/dbraw/zinc/37/43/21/1067374321.db2.gz ZJUPVYDXSFJFLZ-UNMCSNQZSA-N 0 1 457.412 4.887 20 0 JJADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1)c1cccc2ccccc21 ZINC001459675959 1067380908 /nfs/dbraw/zinc/38/09/08/1067380908.db2.gz FRYZFMPNVZDIJJ-WOJBJXKFSA-N 0 1 450.627 4.502 20 0 JJADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716181 1067393628 /nfs/dbraw/zinc/39/36/28/1067393628.db2.gz UNRZQXLMZBHWBJ-CRAIPNDOSA-N 0 1 458.484 4.553 20 0 JJADMN CCOC(=O)C1C(CN2CCCc3cccc(CC)c32)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459718459 1067394873 /nfs/dbraw/zinc/39/48/73/1067394873.db2.gz LBDUSQNSGIMYAV-QFIPXVFZSA-N 0 1 453.970 4.526 20 0 JJADMN COc1cc2c(c(OC)c1OC)CCN(Cc1c(C)nn(Cc3ccccc3)c1Cl)CC2 ZINC001459748723 1067405541 /nfs/dbraw/zinc/40/55/41/1067405541.db2.gz SLVJNZVMUAOOFX-UHFFFAOYSA-N 0 1 455.986 4.520 20 0 JJADMN CC1(C)C(=O)Nc2ccccc2N1C(=O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC001459750311 1067405965 /nfs/dbraw/zinc/40/59/65/1067405965.db2.gz QDDYKWDDLUOUII-UHFFFAOYSA-N 0 1 456.384 4.572 20 0 JJADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc(OC)ncc2Br)[C@@H]2CCCC[C@@H]12 ZINC001459758295 1067409874 /nfs/dbraw/zinc/40/98/74/1067409874.db2.gz YBXVDAKBOUOTCS-NQHUSQPMSA-N 0 1 452.437 4.537 20 0 JJADMN Cn1cc([C@H](O)C[C@@H]2CCCN2[C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766906 1067413943 /nfs/dbraw/zinc/41/39/43/1067413943.db2.gz BTWFEDQRGLOOSS-YTFSRNRJSA-N 0 1 458.375 4.999 20 0 JJADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC(C)(c3cccc(Br)c3)CC2)c1 ZINC001459782246 1067419033 /nfs/dbraw/zinc/41/90/33/1067419033.db2.gz WLUYGADXTIVIDC-INIZCTEOSA-N 0 1 458.400 4.788 20 0 JJADMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](CN(Cc1csc(Br)c1)C1CC1)O2 ZINC001459794668 1067426728 /nfs/dbraw/zinc/42/67/28/1067426728.db2.gz CJNUDTVNJGMIMW-INIZCTEOSA-N 0 1 457.434 4.644 20 0 JJADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001459817615 1067436490 /nfs/dbraw/zinc/43/64/90/1067436490.db2.gz MSABXXLSOZFJPB-QHCPKHFHSA-N 0 1 452.982 4.992 20 0 JJADMN CCOC(=O)C1=C(CN[C@H](c2ccccc2C)C2CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459833203 1067444877 /nfs/dbraw/zinc/44/48/77/1067444877.db2.gz JFGCIULODKPBAY-XZOQPEGZSA-N 0 1 453.970 4.560 20 0 JJADMN COc1cccc([C@H](C)NCC(=O)Nc2c(Br)cc(C)cc2Br)c1 ZINC001459837013 1067446924 /nfs/dbraw/zinc/44/69/24/1067446924.db2.gz CYWHVMLFMMYFIV-LBPRGKRZSA-N 0 1 456.178 4.818 20 0 JJADMN CCCCOc1ccc([C@H](C)NCCN2c3cccc4cccc(c34)S2(=O)=O)cc1OC ZINC001459840660 1067448149 /nfs/dbraw/zinc/44/81/49/1067448149.db2.gz DRDUQJNPYFRGLS-SFHVURJKSA-N 0 1 454.592 4.887 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(OC(C)C)c(OC)c2)c(OC)c1 ZINC001459846325 1067452041 /nfs/dbraw/zinc/45/20/41/1067452041.db2.gz GTFGDNRULJZYNU-AVRDEDQJSA-N 0 1 456.583 4.514 20 0 JJADMN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001459848168 1067453657 /nfs/dbraw/zinc/45/36/57/1067453657.db2.gz GIQICKHFZOWZFK-RUZDIDTESA-N 0 1 458.002 4.623 20 0 JJADMN CCCOc1ccc([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)cc1OC ZINC001459849278 1067454718 /nfs/dbraw/zinc/45/47/18/1067454718.db2.gz BNGBMBVLNRZSMU-GERBCZOESA-N 0 1 456.583 4.992 20 0 JJADMN O=C1[C@@H](N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850095 1067455055 /nfs/dbraw/zinc/45/50/55/1067455055.db2.gz NELFJFGBUJAGSZ-VXKWHMMOSA-N 0 1 451.369 4.786 20 0 JJADMN O=C1[C@@H](N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850093 1067455128 /nfs/dbraw/zinc/45/51/28/1067455128.db2.gz NELFJFGBUJAGSZ-FCHUYYIVSA-N 0 1 451.369 4.786 20 0 JJADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1C(F)(F)F ZINC001459850791 1067455543 /nfs/dbraw/zinc/45/55/43/1067455543.db2.gz LMYKHSXQFYUWAR-CVEARBPZSA-N 0 1 459.468 4.906 20 0 JJADMN COc1ccc(CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](CO)C(C)C)cc1 ZINC001459866722 1067464050 /nfs/dbraw/zinc/46/40/50/1067464050.db2.gz UNUKQSRCADZKAX-HXUWFJFHSA-N 0 1 458.908 4.825 20 0 JJADMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459866212 1067464136 /nfs/dbraw/zinc/46/41/36/1067464136.db2.gz FMCPUKQVRJAUOL-LSDHHAIUSA-N 0 1 454.527 4.584 20 0 JJADMN C[C@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC001459870279 1067466760 /nfs/dbraw/zinc/46/67/60/1067466760.db2.gz YZULBVIKFFMKGS-INIZCTEOSA-N 0 1 451.368 4.884 20 0 JJADMN CCOc1ccc(-c2nc(CN[C@@H](C)c3cc(F)ccc3N3CCN(CC)CC3)co2)cc1 ZINC001459873291 1067468396 /nfs/dbraw/zinc/46/83/96/1067468396.db2.gz CCHIRXRQWUSXCV-IBGZPJMESA-N 0 1 452.574 4.872 20 0 JJADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N(C)CCc1ccc(Cl)cc1 ZINC001459875277 1067469360 /nfs/dbraw/zinc/46/93/60/1067469360.db2.gz RZBIJPCVPOUGCH-HNNXBMFYSA-N 0 1 458.908 4.886 20 0 JJADMN CC(C)c1ccc([C@@H]2CCCCN2CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC001459887379 1067473660 /nfs/dbraw/zinc/47/36/60/1067473660.db2.gz ATSCQASYTPYEEZ-SANMLTNESA-N 0 1 453.671 4.978 20 0 JJADMN Cc1c([C@@H](C)NCC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)cnn1C ZINC001459902840 1067480701 /nfs/dbraw/zinc/48/07/01/1067480701.db2.gz AASMNIIWKPLCAH-LJQANCHMSA-N 0 1 456.594 4.994 20 0 JJADMN Cc1c([C@H](C)NCC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)cnn1C ZINC001459902837 1067480739 /nfs/dbraw/zinc/48/07/39/1067480739.db2.gz AASMNIIWKPLCAH-IBGZPJMESA-N 0 1 456.594 4.994 20 0 JJADMN O=C(NCc1cc(F)c(F)cc1Br)C(F)(F)c1ccc(Br)cc1 ZINC001459902963 1067480832 /nfs/dbraw/zinc/48/08/32/1067480832.db2.gz ZSUUFDFMXHLUBR-UHFFFAOYSA-N 0 1 455.043 4.898 20 0 JJADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC001459905516 1067482465 /nfs/dbraw/zinc/48/24/65/1067482465.db2.gz RBJTXEFYVNJLSA-HIFRSBDPSA-N 0 1 456.999 4.809 20 0 JJADMN COc1ccc2oc([C@H](C)NCCS(=O)(=O)c3cccc(Br)c3)c(C)c2c1 ZINC001459907132 1067483545 /nfs/dbraw/zinc/48/35/45/1067483545.db2.gz XZXPKMQVBIAKMJ-AWEZNQCLSA-N 0 1 452.370 4.637 20 0 JJADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459906651 1067483560 /nfs/dbraw/zinc/48/35/60/1067483560.db2.gz VWKVYQCVSFKDLE-QVKFZJNVSA-N 0 1 457.546 4.647 20 0 JJADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459906650 1067483616 /nfs/dbraw/zinc/48/36/16/1067483616.db2.gz VWKVYQCVSFKDLE-BTYIYWSLSA-N 0 1 457.546 4.647 20 0 JJADMN CC[C@@H]1CN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001459916557 1067489463 /nfs/dbraw/zinc/48/94/63/1067489463.db2.gz MWSFDZGMZMPVNP-XRKRLSELSA-N 0 1 459.609 4.970 20 0 JJADMN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ncsc1Br ZINC001459932577 1067496979 /nfs/dbraw/zinc/49/69/79/1067496979.db2.gz DKBQZIRGSOQHNH-UHFFFAOYSA-N 0 1 451.249 4.575 20 0 JJADMN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN[C@](C)(CO)c3ccccc3)nc2c1C ZINC001459959307 1067507615 /nfs/dbraw/zinc/50/76/15/1067507615.db2.gz DZEZDGLTCZSHTP-HHHXNRCGSA-N 0 1 459.615 4.944 20 0 JJADMN CC[C@@H](NCC(=O)Nc1nc2c(cccc2OC)s1)c1cc(F)cc(Br)c1 ZINC001459966252 1067510328 /nfs/dbraw/zinc/51/03/28/1067510328.db2.gz YXOLLBJQKOJLGC-CQSZACIVSA-N 0 1 452.349 4.886 20 0 JJADMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccc3ncsc3c2)cc1 ZINC001459991060 1067517493 /nfs/dbraw/zinc/51/74/93/1067517493.db2.gz MEQBAQBUUWPAFU-GOSISDBHSA-N 0 1 458.587 4.824 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1OC ZINC001460002223 1067521958 /nfs/dbraw/zinc/52/19/58/1067521958.db2.gz MPDNWSMHORIVSA-QHCPKHFHSA-N 0 1 458.549 4.600 20 0 JJADMN CSc1ccc([C@@H](C)NCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC001460009226 1067525750 /nfs/dbraw/zinc/52/57/50/1067525750.db2.gz XBHOKDXDLCLGSV-OAHLLOKOSA-N 0 1 453.530 4.553 20 0 JJADMN OC1(Cc2ccccc2F)CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC001460030852 1067533991 /nfs/dbraw/zinc/53/39/91/1067533991.db2.gz QGQYILZMJORWGS-UHFFFAOYSA-N 0 1 456.359 4.615 20 0 JJADMN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068154 1067545145 /nfs/dbraw/zinc/54/51/45/1067545145.db2.gz DIPZLIZLNYYEBS-QFBILLFUSA-N 0 1 457.384 4.690 20 0 JJADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077326 1067547997 /nfs/dbraw/zinc/54/79/97/1067547997.db2.gz APTQLFWSBHUPTQ-NTKDMRAZSA-N 0 1 456.652 4.792 20 0 JJADMN CN(Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460083687 1067549455 /nfs/dbraw/zinc/54/94/55/1067549455.db2.gz ZOJLJJHPZUGJAS-SFHVURJKSA-N 0 1 457.290 4.776 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110519 1067556956 /nfs/dbraw/zinc/55/69/56/1067556956.db2.gz PKKGVOUUVRHCSJ-IRXDYDNUSA-N 0 1 455.521 4.613 20 0 JJADMN O=C(CN[C@@H](CCO)c1cccc(C(F)(F)F)c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143085 1067563896 /nfs/dbraw/zinc/56/38/96/1067563896.db2.gz VKDDQFIZNYGKBO-GMAHTHKFSA-N 0 1 452.492 4.905 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155693 1067566601 /nfs/dbraw/zinc/56/66/01/1067566601.db2.gz AWHHSHIFNXPCNC-SJORKVTESA-N 0 1 453.986 4.777 20 0 JJADMN CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155827 1067566612 /nfs/dbraw/zinc/56/66/12/1067566612.db2.gz BRMILBCSABPLIP-HBMCJLEFSA-N 0 1 459.631 4.771 20 0 JJADMN CCOC(=O)[C@H](CCc1ccccc1)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160027 1067567137 /nfs/dbraw/zinc/56/71/37/1067567137.db2.gz UJEPXXQBQNGEBZ-HJOGWXRNSA-N 0 1 458.643 4.910 20 0 JJADMN Cc1ccccc1CN(Cc1ccccn1)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158467 1067567219 /nfs/dbraw/zinc/56/72/19/1067567219.db2.gz PNCLIJVCEDLHJM-SHQCIBLASA-N 0 1 451.611 4.808 20 0 JJADMN CN(CCc1cccc(Br)c1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001460168737 1067568846 /nfs/dbraw/zinc/56/88/46/1067568846.db2.gz FJKRVEGTTYWCOK-SFHVURJKSA-N 0 1 452.190 4.639 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460171010 1067569677 /nfs/dbraw/zinc/56/96/77/1067569677.db2.gz ABQAWVZDGHZYRI-NQIIRXRSSA-N 0 1 456.583 4.673 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460171010 1067569685 /nfs/dbraw/zinc/56/96/85/1067569685.db2.gz ABQAWVZDGHZYRI-NQIIRXRSSA-N 0 1 456.583 4.673 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCCC[C@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460171021 1067569806 /nfs/dbraw/zinc/56/98/06/1067569806.db2.gz ABQAWVZDGHZYRI-RXVVDRJESA-N 0 1 456.583 4.673 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460171021 1067569814 /nfs/dbraw/zinc/56/98/14/1067569814.db2.gz ABQAWVZDGHZYRI-RXVVDRJESA-N 0 1 456.583 4.673 20 0 JJADMN C[C@@H](NCC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC001460180425 1067572330 /nfs/dbraw/zinc/57/23/30/1067572330.db2.gz SQXBKUPMOHEODU-HXUWFJFHSA-N 0 1 451.586 4.621 20 0 JJADMN C[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460206509 1067578840 /nfs/dbraw/zinc/57/88/40/1067578840.db2.gz SHNBTDXPWIJORQ-GMAHTHKFSA-N 0 1 451.611 4.703 20 0 JJADMN COc1cccc(-c2nnc(CN3CCCC[C@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217066 1067581823 /nfs/dbraw/zinc/58/18/23/1067581823.db2.gz WYFFXUTWSBSHNO-FPOVZHCZSA-N 0 1 456.587 4.747 20 0 JJADMN COc1ccc([C@H](O)CN(CC(=O)Nc2cccc(Cl)c2)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238420 1067587735 /nfs/dbraw/zinc/58/77/35/1067587735.db2.gz DGZVLDSVZACTKP-UQBPGWFLSA-N 0 1 452.982 4.954 20 0 JJADMN COc1ccc([C@@H](O)CN(CC(=O)Nc2cccc(Cl)c2)[C@H](C)Cc2ccccc2)cc1 ZINC001460238398 1067587813 /nfs/dbraw/zinc/58/78/13/1067587813.db2.gz DGZVLDSVZACTKP-CLOONOSVSA-N 0 1 452.982 4.954 20 0 JJADMN CC(C)c1sc(NC(=O)CN(C)C2CCN(CC(F)(F)F)CC2)nc1-c1ccccc1 ZINC001460240007 1067588735 /nfs/dbraw/zinc/58/87/35/1067588735.db2.gz QMTRHAUITHZQQY-UHFFFAOYSA-N 0 1 454.562 4.831 20 0 JJADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274278 1067595771 /nfs/dbraw/zinc/59/57/71/1067595771.db2.gz XCNRRTJEVQRXPP-JKBKZWBZSA-N 0 1 457.615 4.823 20 0 JJADMN CC(C)(C)OC(=O)CCN(Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CCOCC1 ZINC001460305097 1067603280 /nfs/dbraw/zinc/60/32/80/1067603280.db2.gz NCMXNSVEVXGACH-UHFFFAOYSA-N 0 1 456.370 4.756 20 0 JJADMN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1C ZINC001460308079 1067604259 /nfs/dbraw/zinc/60/42/59/1067604259.db2.gz MQCQTKHJUDWUEI-KNKQGSTJSA-N 0 1 455.599 4.723 20 0 JJADMN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CCCc4ccccc4)C[C@@H]3CC(C)C)cn2)n1 ZINC001460322471 1067608092 /nfs/dbraw/zinc/60/80/92/1067608092.db2.gz BOGKVIBJVUWPNE-SANMLTNESA-N 0 1 459.638 4.689 20 0 JJADMN CC(C)c1nc(CC2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n[nH]1 ZINC001460332823 1067609916 /nfs/dbraw/zinc/60/99/16/1067609916.db2.gz LBYWNPLHYLOULZ-CYBMUJFWSA-N 0 1 457.928 4.882 20 0 JJADMN O=C(CN1CCCC[C@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001460356337 1067616497 /nfs/dbraw/zinc/61/64/97/1067616497.db2.gz KTEIWQAZNQGKCR-SQJMNOBHSA-N 0 1 458.021 4.829 20 0 JJADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001460356987 1067616874 /nfs/dbraw/zinc/61/68/74/1067616874.db2.gz UDNUPTBCAZMSTH-GHTZIAJQSA-N 0 1 455.624 4.535 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360603 1067617874 /nfs/dbraw/zinc/61/78/74/1067617874.db2.gz CWMKWJSCJYESRH-UEXGIBASSA-N 0 1 459.562 4.765 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCS[C@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362369 1067618459 /nfs/dbraw/zinc/61/84/59/1067618459.db2.gz OWSONFACWFNPFA-DQEYMECFSA-N 0 1 452.645 4.805 20 0 JJADMN Cc1ccccc1-c1noc([C@@H](C)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)n1 ZINC001460362142 1067618589 /nfs/dbraw/zinc/61/85/89/1067618589.db2.gz JETZBQXYKJYPDP-XPGWFJOJSA-N 0 1 476.474 4.782 20 0 JJADMN CCc1ccc([C@H](NC(=O)CN2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@H]32)c2cccs2)cc1 ZINC001460368410 1067620036 /nfs/dbraw/zinc/62/00/36/1067620036.db2.gz XXGSVCXIABOYNP-FUCAVZNHSA-N 0 1 454.636 4.570 20 0 JJADMN CC(C)COc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC001460396479 1067626479 /nfs/dbraw/zinc/62/64/79/1067626479.db2.gz ZIENGBVOMOKYKK-VXKWHMMOSA-N 0 1 452.492 4.897 20 0 JJADMN C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@]3(C)Cc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC001460404171 1067627684 /nfs/dbraw/zinc/62/76/84/1067627684.db2.gz NEGRECBEWPAIFM-XMERXJNXSA-N 0 1 456.030 4.989 20 0 JJADMN Ic1ccc(-c2nc(CN3CCC[C@H]([C@H]4CCCCO4)C3)co2)cc1 ZINC001460452095 1067637021 /nfs/dbraw/zinc/63/70/21/1067637021.db2.gz KRTFPEDMQDZFDD-QFBILLFUSA-N 0 1 452.336 4.727 20 0 JJADMN CCOC(=O)C1=C(CN[C@@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600648 1067667167 /nfs/dbraw/zinc/66/71/67/1067667167.db2.gz FUWYTBJGFLCVKY-URXFXBBRSA-N 0 1 459.949 4.565 20 0 JJADMN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001460634508 1067680058 /nfs/dbraw/zinc/68/00/58/1067680058.db2.gz DFIDBMFEMVRFOL-XMMPIXPASA-N 0 1 450.957 4.943 20 0 JJADMN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001460634507 1067680282 /nfs/dbraw/zinc/68/02/82/1067680282.db2.gz DFIDBMFEMVRFOL-DEOSSOPVSA-N 0 1 450.957 4.943 20 0 JJADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001460645041 1067684085 /nfs/dbraw/zinc/68/40/85/1067684085.db2.gz NDVCSMBCQXYURQ-JOCHJYFZSA-N 0 1 451.464 4.839 20 0 JJADMN CS(=O)(=O)c1ccc([C@@H](O)CN2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659424 1067691555 /nfs/dbraw/zinc/69/15/55/1067691555.db2.gz HQPXIRFDOREJIS-GJZUVCINSA-N 0 1 451.588 4.623 20 0 JJADMN CC[C@H](NCC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)c1cccc(OC)c1OC ZINC001460666135 1067693512 /nfs/dbraw/zinc/69/35/12/1067693512.db2.gz VOBQBTCONHIYIA-FQEVSTJZSA-N 0 1 451.592 4.766 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(CC[C@H]1Sc3ccccc3NC1=O)C2 ZINC001460675762 1067697069 /nfs/dbraw/zinc/69/70/69/1067697069.db2.gz QHUIBWGXVRNNNE-OAQYLSRUSA-N 0 1 455.580 4.731 20 0 JJADMN Cc1cc(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)c(F)cc1Br ZINC001460682668 1067700108 /nfs/dbraw/zinc/70/01/08/1067700108.db2.gz KYJDSEUCOQEIHE-UHFFFAOYSA-N 0 1 451.317 4.674 20 0 JJADMN CCCc1ccc(-c2csc(NC(=O)CN3CCN(CCCOC(C)(C)C)CC3)n2)cc1 ZINC001460697122 1067703902 /nfs/dbraw/zinc/70/39/02/1067703902.db2.gz URPVYWLIFKJEHU-UHFFFAOYSA-N 0 1 458.672 4.524 20 0 JJADMN CN(C)c1nc2c(s1)CN(C[C@H](O)c1ccc(-c3ccc(Br)cc3)cc1)CC2 ZINC001460711464 1067706776 /nfs/dbraw/zinc/70/67/76/1067706776.db2.gz DOXYQVKGQMWPBE-FQEVSTJZSA-N 0 1 458.425 4.730 20 0 JJADMN Cc1cc2oc(=O)cc(CN3C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)c2cc1C ZINC001460750878 1067716015 /nfs/dbraw/zinc/71/60/15/1067716015.db2.gz XNBLIIBUTMSTPN-FUHWJXTLSA-N 0 1 454.489 4.545 20 0 JJADMN COc1cc2c(cc1OC)C1(CCC1)N(CCOc1ccccc1C(=O)OC(C)(C)C)CC2 ZINC001460796981 1067725348 /nfs/dbraw/zinc/72/53/48/1067725348.db2.gz ZBBROJFYLYJCCY-UHFFFAOYSA-N 0 1 453.579 4.975 20 0 JJADMN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC001460800022 1067726544 /nfs/dbraw/zinc/72/65/44/1067726544.db2.gz HEXYYFSZPSVWMR-DENIHFKCSA-N 0 1 452.364 4.724 20 0 JJADMN CN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CCN(CCC(F)(F)F)CC1 ZINC001460856098 1067735561 /nfs/dbraw/zinc/73/55/61/1067735561.db2.gz RAHNVNXEDJTZBS-UHFFFAOYSA-N 0 1 451.967 4.943 20 0 JJADMN CCOC(=O)c1sc(NC(=O)CN2C[C@@H](C3CC3)C[C@H]2C2CC2)c(C(=O)OC(C)(C)C)c1C ZINC001460866146 1067737612 /nfs/dbraw/zinc/73/76/12/1067737612.db2.gz KBWDBKUWIIBNQI-ROUUACIJSA-N 0 1 476.639 4.638 20 0 JJADMN C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001460878921 1067740967 /nfs/dbraw/zinc/74/09/67/1067740967.db2.gz HQQJGBBCZMEFGO-ZRGWGRIASA-N 0 1 456.414 4.581 20 0 JJADMN CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989521 1067758459 /nfs/dbraw/zinc/75/84/59/1067758459.db2.gz WWIDBGXIGHBQJW-NVXWUHKLSA-N 0 1 458.430 4.892 20 0 JJADMN CCN(CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989544 1067758586 /nfs/dbraw/zinc/75/85/86/1067758586.db2.gz XFRNZAAALKQSTF-IBGZPJMESA-N 0 1 458.430 4.673 20 0 JJADMN C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3ccc(-c4ccncc4)cc3F)cc2)C1 ZINC001461061266 1067773201 /nfs/dbraw/zinc/77/32/01/1067773201.db2.gz FMKPFTCXYUUIIZ-IBGZPJMESA-N 0 1 453.583 4.598 20 0 JJADMN COc1ccccc1[C@H](CNCc1ccc(OC)c(OC)c1Cl)NC(=O)OC(C)(C)C ZINC001461065466 1067774556 /nfs/dbraw/zinc/77/45/56/1067774556.db2.gz HJDJTPANKNYELY-KRWDZBQOSA-N 0 1 450.963 4.721 20 0 JJADMN CC[C@@H](C)[C@@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146098 1067789230 /nfs/dbraw/zinc/78/92/30/1067789230.db2.gz AUTBRPKNVJAXSS-MZNJEOGPSA-N 0 1 450.558 4.823 20 0 JJADMN C/C(=C/c1ccccc1OC(F)F)CNCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001461179265 1067793380 /nfs/dbraw/zinc/79/33/80/1067793380.db2.gz IJZQVBHWXAPNLN-SDXDJHTJSA-N 0 1 450.551 4.656 20 0 JJADMN COc1cccc(Oc2ncccc2CNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)c1 ZINC001461237209 1067806374 /nfs/dbraw/zinc/80/63/74/1067806374.db2.gz WWBKYMQJZPKSMU-UHFFFAOYSA-N 0 1 457.477 4.555 20 0 JJADMN COCCCOc1cc(C)ccc1CNCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461281521 1067817289 /nfs/dbraw/zinc/81/72/89/1067817289.db2.gz QZDNQEZQBLVFKG-UHFFFAOYSA-N 0 1 454.611 4.993 20 0 JJADMN CCOc1ccc([C@H](C)NC(=O)CCCNCc2c(F)cc(Br)cc2F)cc1 ZINC001461285144 1067817923 /nfs/dbraw/zinc/81/79/23/1067817923.db2.gz XREIGNBOCFXGTK-AWEZNQCLSA-N 0 1 455.343 4.873 20 0 JJADMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC001461288696 1067819152 /nfs/dbraw/zinc/81/91/52/1067819152.db2.gz KARUFVOBOAVQSE-RDPSFJRHSA-N 0 1 451.611 4.836 20 0 JJADMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001461302731 1067823078 /nfs/dbraw/zinc/82/30/78/1067823078.db2.gz YLDXAAKZXXNCCC-OKZBNKHCSA-N 0 1 455.396 4.735 20 0 JJADMN C[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001461302726 1067823173 /nfs/dbraw/zinc/82/31/73/1067823173.db2.gz YLDXAAKZXXNCCC-KZNAEPCWSA-N 0 1 455.396 4.735 20 0 JJADMN COC(=O)[C@]1(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001461308351 1067824930 /nfs/dbraw/zinc/82/49/30/1067824930.db2.gz XFKJWNIJKSKHET-OZXSUGGESA-N 0 1 457.014 4.794 20 0 JJADMN Cc1nc(CN[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)sc1Br ZINC001461309434 1067824995 /nfs/dbraw/zinc/82/49/95/1067824995.db2.gz RZDWYCBJSOEQST-JTQLQIEISA-N 0 1 455.731 4.650 20 0 JJADMN CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001461327304 1067829442 /nfs/dbraw/zinc/82/94/42/1067829442.db2.gz DUZPZKKMSIDFRY-UIOOFZCWSA-N 0 1 450.623 4.512 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC001461330062 1067830452 /nfs/dbraw/zinc/83/04/52/1067830452.db2.gz DSZGFUKFMFPCLR-OAQYLSRUSA-N 0 1 458.393 4.549 20 0 JJADMN COc1ccc(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)c(Br)c1O ZINC001461339529 1067833257 /nfs/dbraw/zinc/83/32/57/1067833257.db2.gz KXJLYCVQYDFTQW-HXUWFJFHSA-N 0 1 458.352 4.566 20 0 JJADMN CC(=O)N1CC[C@@H](NCc2c(C)nn(-c3ccc(Br)cc3)c2C)c2ccccc21 ZINC001461352310 1067836261 /nfs/dbraw/zinc/83/62/61/1067836261.db2.gz CMXPHLUJVKQMID-JOCHJYFZSA-N 0 1 453.384 4.839 20 0 JJADMN CCOc1cc(CNc2cnccc2-n2cc(C)cn2)cc(Br)c1OC(F)F ZINC001461405151 1067847696 /nfs/dbraw/zinc/84/76/96/1067847696.db2.gz BIQJBOGOSIWUDX-UHFFFAOYSA-N 0 1 453.287 4.950 20 0 JJADMN Cc1cc(OCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)ccc1C(C)C ZINC001461418318 1067851395 /nfs/dbraw/zinc/85/13/95/1067851395.db2.gz JENLMPLAYOKNCH-VXKWHMMOSA-N 0 1 480.502 4.700 20 0 JJADMN COCO[C@@H](C)c1cc(F)c(CN[C@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456280 1067860853 /nfs/dbraw/zinc/86/08/53/1067860853.db2.gz RQLJRRWUDMRITL-NYHFZMIOSA-N 0 1 452.364 4.583 20 0 JJADMN COCO[C@H](C)c1cc(F)c(CN[C@@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456279 1067860919 /nfs/dbraw/zinc/86/09/19/1067860919.db2.gz RQLJRRWUDMRITL-IVZQSRNASA-N 0 1 452.364 4.583 20 0 JJADMN CN(CCO)Cc1cc(NCc2c[nH]nc2-c2ccc(Br)s2)ccc1Cl ZINC001461460183 1067862362 /nfs/dbraw/zinc/86/23/62/1067862362.db2.gz PEHJACFMWMAYNH-UHFFFAOYSA-N 0 1 455.809 4.590 20 0 JJADMN C[C@H](CCc1ccc(I)cc1)NCc1ncc(Br)s1 ZINC001461463949 1067863362 /nfs/dbraw/zinc/86/33/62/1067863362.db2.gz ZNSQPGZIDQRIFV-SNVBAGLBSA-N 0 1 451.171 4.621 20 0 JJADMN CCOc1cc(CN[C@H](C)C2(S(C)(=O)=O)CC2)ccc1OCc1c(F)cccc1Cl ZINC001461496247 1067875961 /nfs/dbraw/zinc/87/59/61/1067875961.db2.gz RQWOFSLUCYJOAX-OAHLLOKOSA-N 0 1 455.979 4.512 20 0 JJADMN O[C@@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC001461507946 1067878716 /nfs/dbraw/zinc/87/87/16/1067878716.db2.gz SRIMHRPUVFJWDK-KRWDZBQOSA-N 0 1 456.262 4.561 20 0 JJADMN COCO[C@@H](C)c1cc(F)c(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1Br ZINC001461553165 1067887066 /nfs/dbraw/zinc/88/70/66/1067887066.db2.gz MNRHDZWGAXBHJZ-LHSJRXKWSA-N 0 1 457.359 4.801 20 0 JJADMN CCOc1cc(CNc2ccc3c(c2)nc2n3CCCCC2)ccc1O[C@H](C)C(=O)N(C)C ZINC001461561246 1067888559 /nfs/dbraw/zinc/88/85/59/1067888559.db2.gz QQNQWAZVFNOIKO-GOSISDBHSA-N 0 1 450.583 4.629 20 0 JJADMN COc1cccc(Sc2ccccc2CNCc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC001461567549 1067890405 /nfs/dbraw/zinc/89/04/05/1067890405.db2.gz QIPZUINAMKRXJT-UHFFFAOYSA-N 0 1 456.633 4.823 20 0 JJADMN Cc1nc2cc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc2n1[C@@H](C)CO ZINC001461573176 1067891345 /nfs/dbraw/zinc/89/13/45/1067891345.db2.gz VTIMBYGPYJSCGE-KRWDZBQOSA-N 0 1 450.583 4.803 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591100 1067895924 /nfs/dbraw/zinc/89/59/24/1067895924.db2.gz HLAAMZNSYREYMI-UWVGGRQHSA-N 0 1 455.290 4.789 20 0 JJADMN CC[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)C(=O)NCc1cccs1 ZINC001461603367 1067899890 /nfs/dbraw/zinc/89/98/90/1067899890.db2.gz AHKIPTQCJUBXLB-QGZVFWFLSA-N 0 1 450.427 4.819 20 0 JJADMN COc1ccc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc1Br ZINC001461618450 1067903012 /nfs/dbraw/zinc/90/30/12/1067903012.db2.gz WOXWSXUGCNFHBA-UHFFFAOYSA-N 0 1 453.352 4.911 20 0 JJADMN CCOc1cc(CNCc2cnccc2C(F)(F)F)ccc1OCC(=O)Nc1ccccc1 ZINC001461647479 1067908975 /nfs/dbraw/zinc/90/89/75/1067908975.db2.gz ZYOAUGIBEIVRCA-UHFFFAOYSA-N 0 1 459.468 4.806 20 0 JJADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@H](n2cncn2)C(F)(F)F)cc1C ZINC001461680658 1067916817 /nfs/dbraw/zinc/91/68/17/1067916817.db2.gz ATBZKALBXJYEEM-QFIPXVFZSA-N 0 1 454.500 4.700 20 0 JJADMN CCO/C=C\[C@](O)(CNCc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772518 1067934530 /nfs/dbraw/zinc/93/45/30/1067934530.db2.gz FJCYWRRRKMHPKO-UMHMGIAYSA-N 0 1 459.512 4.840 20 0 JJADMN CCOc1cc(CN[C@@H](C)c2cc(F)ccc2N(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001461831837 1067943292 /nfs/dbraw/zinc/94/32/92/1067943292.db2.gz KUIFTMIXGWREST-IBGZPJMESA-N 0 1 457.590 4.533 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001461848866 1067946341 /nfs/dbraw/zinc/94/63/41/1067946341.db2.gz DMTTZKRUPDJCQM-OAQYLSRUSA-N 0 1 456.656 4.705 20 0 JJADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC001461850407 1067946639 /nfs/dbraw/zinc/94/66/39/1067946639.db2.gz MNBCPHTXWXHEOM-MRXNPFEDSA-N 0 1 454.206 4.624 20 0 JJADMN CCN(CC1CCN(Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1)C(=O)OC(C)(C)C ZINC001461928525 1067962749 /nfs/dbraw/zinc/96/27/49/1067962749.db2.gz SSYHFRNCUHNSFX-UHFFFAOYSA-N 0 1 455.599 4.841 20 0 JJADMN Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN(C)Cc2cccc(Cl)c2Cl)cnn1C ZINC001461930765 1067963247 /nfs/dbraw/zinc/96/32/47/1067963247.db2.gz YCGZUHVGNXHADQ-MRXNPFEDSA-N 0 1 455.430 4.851 20 0 JJADMN Fc1ccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1C(F)(F)F ZINC001461971035 1067971897 /nfs/dbraw/zinc/97/18/97/1067971897.db2.gz NCSROGTWFCPUBS-UHFFFAOYSA-N 0 1 454.493 4.706 20 0 JJADMN Cc1ccnc(N)c1CN1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001461974869 1067972975 /nfs/dbraw/zinc/97/29/75/1067972975.db2.gz CGEHPIDYAQLNFV-UHFFFAOYSA-N 0 1 457.441 4.781 20 0 JJADMN CN(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1N1CCOCC1 ZINC001462042674 1067987885 /nfs/dbraw/zinc/98/78/85/1067987885.db2.gz ZWDNDRUETNTUTO-UHFFFAOYSA-N 0 1 454.206 4.680 20 0 JJADMN CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001462050267 1067990631 /nfs/dbraw/zinc/99/06/31/1067990631.db2.gz JGDGCZUQVXZGGE-NRFANRHFSA-N 0 1 450.410 4.898 20 0 JJADMN CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001462050272 1067990793 /nfs/dbraw/zinc/99/07/93/1067990793.db2.gz JGDGCZUQVXZGGE-OAQYLSRUSA-N 0 1 450.410 4.898 20 0 JJADMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462055222 1067991949 /nfs/dbraw/zinc/99/19/49/1067991949.db2.gz QPAWWGVZEJZTIA-SFHVURJKSA-N 0 1 457.562 4.562 20 0 JJADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CNC1(C(=O)NCC2CC2)CCCC1 ZINC001462061491 1067993470 /nfs/dbraw/zinc/99/34/70/1067993470.db2.gz PVXXUJUQQOOUOV-UHFFFAOYSA-N 0 1 459.432 4.687 20 0 JJADMN Cc1ccccc1C[C@H](CO)NCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462099022 1068001912 /nfs/dbraw/zinc/00/19/12/1068001912.db2.gz YHRSUWAQZOMPBD-QGZVFWFLSA-N 0 1 453.371 4.719 20 0 JJADMN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC001462191997 1068026144 /nfs/dbraw/zinc/02/61/44/1068026144.db2.gz QNAQFSXBOCRTIC-FQEVSTJZSA-N 0 1 453.579 4.968 20 0 JJADMN COC(=O)[C@H](C)Oc1ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280777 1068043340 /nfs/dbraw/zinc/04/33/40/1068043340.db2.gz GULDXVAWNOYZFR-HRAATJIYSA-N 0 1 451.485 4.998 20 0 JJADMN CCC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)C)CC2)CCOCC1 ZINC001546131003 1068057381 /nfs/dbraw/zinc/05/73/81/1068057381.db2.gz MFRNZXBKMYFXLO-UHFFFAOYSA-N 0 1 453.675 4.980 20 0 JJADMN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC001462360914 1068059749 /nfs/dbraw/zinc/05/97/49/1068059749.db2.gz LDBOLUGJKUQIEO-CQSZACIVSA-N 0 1 452.780 4.665 20 0 JJADMN COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462412933 1068069040 /nfs/dbraw/zinc/06/90/40/1068069040.db2.gz HIVLMMQAQFIRIY-HEIXFDNSSA-N 0 1 464.503 4.912 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC001462489783 1068084073 /nfs/dbraw/zinc/08/40/73/1068084073.db2.gz USAIVWLRNQFRQD-NDEPHWFRSA-N 0 1 457.618 4.997 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3ccccc3OCC(F)F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462519953 1068090630 /nfs/dbraw/zinc/09/06/30/1068090630.db2.gz QFTKYHXWVLSPME-LEWJYISDSA-N 0 1 462.537 4.832 20 0 JJADMN COc1ccc(C2=NO[C@@H](CNCc3cnc(-c4ccc(Br)cc4)s3)C2)cc1 ZINC001462557999 1068098012 /nfs/dbraw/zinc/09/80/12/1068098012.db2.gz XNKKEOXSZDAMRR-GOSISDBHSA-N 0 1 458.381 4.864 20 0 JJADMN C[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001462575387 1068101955 /nfs/dbraw/zinc/10/19/55/1068101955.db2.gz BNZFVTOPSATDGW-HUUCEWRRSA-N 0 1 454.402 4.557 20 0 JJADMN C[C@@H](NCc1ccc(CN(C)C)c2c1OC(F)(F)O2)c1nc(-c2ccc(Cl)cc2)no1 ZINC001462606990 1068110954 /nfs/dbraw/zinc/11/09/54/1068110954.db2.gz BNXWDCWUFZUSAZ-GFCCVEGCSA-N 0 1 450.873 4.624 20 0 JJADMN CCN(CC)[C@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccccc1 ZINC001462740508 1068150588 /nfs/dbraw/zinc/15/05/88/1068150588.db2.gz JVTCRZJNYQWBDX-JOCHJYFZSA-N 0 1 450.551 4.578 20 0 JJADMN Cc1ccc(C2(C(=O)N[C@H]3CCCN4CCSC[C@@H]34)CCCCC2)c(Br)c1 ZINC001462749605 1068154320 /nfs/dbraw/zinc/15/43/20/1068154320.db2.gz QFWDDFFPAKRQJD-PMACEKPBSA-N 0 1 451.474 4.655 20 0 JJADMN O=S(=O)(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(C2CCCCC2)cc1 ZINC001462862057 1068194438 /nfs/dbraw/zinc/19/44/38/1068194438.db2.gz JNMTWZXERUZDHN-UHFFFAOYSA-N 0 1 455.668 4.615 20 0 JJADMN CC1CCN([C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c2ccccc2)CC1 ZINC001462899540 1068208281 /nfs/dbraw/zinc/20/82/81/1068208281.db2.gz XYTNWRXYGLTMIF-SFHVURJKSA-N 0 1 458.958 4.693 20 0 JJADMN CCOc1ccc(S(=O)(=O)N2CCCN(CCCc3ccccc3)CC2)c2ccccc12 ZINC001462977088 1068235568 /nfs/dbraw/zinc/23/55/68/1068235568.db2.gz OBZYENTVJWHNRI-UHFFFAOYSA-N 0 1 452.620 4.568 20 0 JJADMN COc1cc(C)c(S(=O)(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1Cl ZINC001463046344 1068263650 /nfs/dbraw/zinc/26/36/50/1068263650.db2.gz KJHCVWVTIQMBBG-UHFFFAOYSA-N 0 1 457.423 4.501 20 0 JJADMN CCOC(=O)c1cccc2nc(NC(=O)c3ccc(C)c(NC(=O)Nc4ccccc4)c3)[nH]c21 ZINC001463314162 1068352549 /nfs/dbraw/zinc/35/25/49/1068352549.db2.gz OUTHWBNQJMUBPG-UHFFFAOYSA-N 0 1 457.490 4.944 20 0 JJADMN COC(=O)c1cc2[nH]c(NC(=O)c3ccc(Oc4ccccc4)o3)nc2c(Br)c1 ZINC001463316952 1068353990 /nfs/dbraw/zinc/35/39/90/1068353990.db2.gz DQCIMOZXXZQNDY-UHFFFAOYSA-N 0 1 456.252 4.750 20 0 JJADMN O=C(Cc1ccccc1OCc1ccncc1)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC001463339701 1068361649 /nfs/dbraw/zinc/36/16/49/1068361649.db2.gz QEQUOCHZHQHKBZ-UHFFFAOYSA-N 0 1 455.287 4.620 20 0 JJADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC001463372752 1068375843 /nfs/dbraw/zinc/37/58/43/1068375843.db2.gz FOPJJMKBFNEYRG-CUBQBAPOSA-N 0 1 463.622 4.838 20 0 JJADMN O=S(=O)(N[C@@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463487931 1068417020 /nfs/dbraw/zinc/41/70/20/1068417020.db2.gz CMVWYOVBSFMUAH-UGSOOPFHSA-N 0 1 455.926 4.545 20 0 JJADMN CC/C(C)=C\C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001463539406 1068433803 /nfs/dbraw/zinc/43/38/03/1068433803.db2.gz HIYZRKATALIQCZ-VLGSPTGOSA-N 0 1 457.596 4.781 20 0 JJADMN C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc2c1=O)c1ccc(Br)cc1 ZINC001463551133 1068438753 /nfs/dbraw/zinc/43/87/53/1068438753.db2.gz VVEHGLQAXJNSSV-SNVBAGLBSA-N 0 1 450.130 4.544 20 0 JJADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001463590927 1068458904 /nfs/dbraw/zinc/45/89/04/1068458904.db2.gz ANRBLFSNKGWTJT-NVXWUHKLSA-N 0 1 450.963 4.932 20 0 JJADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001463590925 1068458977 /nfs/dbraw/zinc/45/89/77/1068458977.db2.gz ANRBLFSNKGWTJT-DOTOQJQBSA-N 0 1 450.963 4.932 20 0 JJADMN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ncc2ccccc2c1O ZINC001463623135 1068470706 /nfs/dbraw/zinc/47/07/06/1068470706.db2.gz BLDDLSZQDXVWHA-UHFFFAOYSA-N 0 1 453.907 4.647 20 0 JJADMN CN(C)[C@@H](CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1cccs1 ZINC001463648806 1068480209 /nfs/dbraw/zinc/48/02/09/1068480209.db2.gz ZDDLGPPTQYEOPR-NRFANRHFSA-N 0 1 457.640 4.734 20 0 JJADMN COc1ccc([C@H](CNC(=O)c2cc3c(cccc3Br)[nH]2)N2CCCCC2)cc1 ZINC001463660965 1068486233 /nfs/dbraw/zinc/48/62/33/1068486233.db2.gz QHOBRMUGKJIURS-QFIPXVFZSA-N 0 1 456.384 4.896 20 0 JJADMN COc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463700106 1068498530 /nfs/dbraw/zinc/49/85/30/1068498530.db2.gz PBXODGDXVPKWRM-UHFFFAOYSA-N 0 1 455.923 4.883 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCN(Cc2cccc3ccccc32)CC1)C(C)(C)C ZINC001463723764 1068504765 /nfs/dbraw/zinc/50/47/65/1068504765.db2.gz ITMWOPAUOYPJHK-HSZRJFAPSA-N 0 1 453.627 4.814 20 0 JJADMN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC001463743134 1068509842 /nfs/dbraw/zinc/50/98/42/1068509842.db2.gz KNAMCKFFJKXGSP-UHFFFAOYSA-N 0 1 457.481 4.627 20 0 JJADMN COc1cccc([C@@H](CNC(=O)CCCSc2ccc(Br)cc2)N(C)C)c1 ZINC001463760988 1068516133 /nfs/dbraw/zinc/51/61/33/1068516133.db2.gz BUDBEPHYBZVAJX-HXUWFJFHSA-N 0 1 451.430 4.749 20 0 JJADMN CC(C)(C)c1cc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC001463761965 1068516561 /nfs/dbraw/zinc/51/65/61/1068516561.db2.gz IDLFTMITOAEFLJ-UHFFFAOYSA-N 0 1 451.655 4.535 20 0 JJADMN CCc1ccc([C@H](C[N-]S(=O)(=O)c2c(F)cccc2Br)[NH+](CC)CC)cc1 ZINC001463794251 1068526393 /nfs/dbraw/zinc/52/63/93/1068526393.db2.gz PSVJHDGVKMOKBT-IBGZPJMESA-N 0 1 457.409 4.512 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)CCC[C@H]12 ZINC001463793947 1068526417 /nfs/dbraw/zinc/52/64/17/1068526417.db2.gz DFYQOXAMJILHCP-SQJMNOBHSA-N 0 1 462.034 4.600 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC001463795166 1068526946 /nfs/dbraw/zinc/52/69/46/1068526946.db2.gz JGWZNQCEDIHLRA-HXUWFJFHSA-N 0 1 452.039 4.750 20 0 JJADMN O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)c1cc(Br)n[nH]1 ZINC001463806248 1068531848 /nfs/dbraw/zinc/53/18/48/1068531848.db2.gz HFIJHDDCNGRLDV-UHFFFAOYSA-N 0 1 451.118 4.766 20 0 JJADMN C[C@@H](NC(=O)c1cccc(I)c1O)C(c1ccccc1)c1ccccc1 ZINC001463811210 1068533471 /nfs/dbraw/zinc/53/34/71/1068533471.db2.gz YVUCIKWDMMCRDM-OAHLLOKOSA-N 0 1 457.311 4.947 20 0 JJADMN O=C(c1cc(O)cc(Br)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463825246 1068536849 /nfs/dbraw/zinc/53/68/49/1068536849.db2.gz UMMLKWXNOGJCPJ-UHFFFAOYSA-N 0 1 457.290 4.522 20 0 JJADMN CC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001463826123 1068538284 /nfs/dbraw/zinc/53/82/84/1068538284.db2.gz PJGZVEXNQKAOHG-HYBUGGRVSA-N 0 1 450.023 4.773 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1(C)C ZINC001463838713 1068542968 /nfs/dbraw/zinc/54/29/68/1068542968.db2.gz RNSZEKHLFJYINS-MISYRCLQSA-N 0 1 450.023 4.533 20 0 JJADMN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463840226 1068544010 /nfs/dbraw/zinc/54/40/10/1068544010.db2.gz PQGTUODSXQVAFE-TZIWHRDSSA-N 0 1 459.503 4.549 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCc3ccccn3)ccc2Cl)cc1 ZINC001463842768 1068545429 /nfs/dbraw/zinc/54/54/29/1068545429.db2.gz GXRHMSNFYHWRPG-UHFFFAOYSA-N 0 1 459.955 4.506 20 0 JJADMN CC1(C)[C@@H](CNS(=O)(=O)c2scc(Br)c2Br)[C@@H]1c1ccccc1 ZINC001463844929 1068545831 /nfs/dbraw/zinc/54/58/31/1068545831.db2.gz SIORQPLJHAXIGD-AAEUAGOBSA-N 0 1 479.259 4.991 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)[C@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912149 1068562741 /nfs/dbraw/zinc/56/27/41/1068562741.db2.gz HETXAAKSIPTLCI-VQTJNVASSA-N 0 1 453.808 4.989 20 0 JJADMN CCCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3Cl)N(CC)CC)CC2=O)cc1 ZINC001463912094 1068562776 /nfs/dbraw/zinc/56/27/76/1068562776.db2.gz IJLAEKCBWQMRDC-GBXCKJPGSA-N 0 1 456.030 4.845 20 0 JJADMN CC(C)Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C(C)C)cc1 ZINC001463963386 1068576605 /nfs/dbraw/zinc/57/66/05/1068576605.db2.gz SBCJBARBZALKHS-DEOSSOPVSA-N 0 1 458.624 4.502 20 0 JJADMN O=C(c1n[nH]cc1C(F)(F)F)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001464046944 1068599198 /nfs/dbraw/zinc/59/91/98/1068599198.db2.gz LLBWIZNRWBPXNR-UHFFFAOYSA-N 0 1 454.905 4.768 20 0 JJADMN O=C(CCC(=O)c1cccc(F)c1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC001464073746 1068605688 /nfs/dbraw/zinc/60/56/88/1068605688.db2.gz NEJYPJLENTZPTF-UHFFFAOYSA-N 0 1 459.565 4.745 20 0 JJADMN C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001464072182 1068605795 /nfs/dbraw/zinc/60/57/95/1068605795.db2.gz HZMYJSCVYZCUDR-CQSZACIVSA-N 0 1 450.366 4.556 20 0 JJADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001464095647 1068613470 /nfs/dbraw/zinc/61/34/70/1068613470.db2.gz MXCNAWIZJXOAFU-QGZVFWFLSA-N 0 1 458.331 4.638 20 0 JJADMN CC[C@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)N1CCc2ccccc2C1 ZINC001464101829 1068616051 /nfs/dbraw/zinc/61/60/51/1068616051.db2.gz SDSFTTXHABODTE-OAQYLSRUSA-N 0 1 456.512 4.766 20 0 JJADMN CC[C@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)N1CCc2ccccc2C1 ZINC001464101665 1068616105 /nfs/dbraw/zinc/61/61/05/1068616105.db2.gz QXROTIUKIWUOJY-HXUWFJFHSA-N 0 1 457.018 4.827 20 0 JJADMN Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001464122993 1068623199 /nfs/dbraw/zinc/62/31/99/1068623199.db2.gz RZNZEVTYHCUAJL-VXKWHMMOSA-N 0 1 456.586 4.765 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CN(Cc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001464125112 1068624331 /nfs/dbraw/zinc/62/43/31/1068624331.db2.gz YSCVWPRPUKHHFR-PSWAGMNNSA-N 0 1 457.618 4.619 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)C[C@H](C)O1 ZINC001464124946 1068624384 /nfs/dbraw/zinc/62/43/84/1068624384.db2.gz XHOSZOORKHKYDO-GASCZTMLSA-N 0 1 451.792 4.642 20 0 JJADMN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC001464131008 1068627768 /nfs/dbraw/zinc/62/77/68/1068627768.db2.gz OKZOWLXRITZAMZ-ZIAGYGMSSA-N 0 1 455.356 4.696 20 0 JJADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC001464154051 1068634921 /nfs/dbraw/zinc/63/49/21/1068634921.db2.gz MICMPCKPBOAVFK-SFHVURJKSA-N 0 1 453.583 4.901 20 0 JJADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC001464154051 1068634928 /nfs/dbraw/zinc/63/49/28/1068634928.db2.gz MICMPCKPBOAVFK-SFHVURJKSA-N 0 1 453.583 4.901 20 0 JJADMN CC[C@@H](Cc1cn(C)c2ccccc12)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC001464203763 1068655571 /nfs/dbraw/zinc/65/55/71/1068655571.db2.gz PHPOSYZHDBGRBH-ZDUSSCGKSA-N 0 1 457.340 4.519 20 0 JJADMN CCN1CCN(c2ccc(CNC(=O)c3ccc(Sc4ccc(Cl)cc4)o3)cn2)CC1 ZINC001464206717 1068657432 /nfs/dbraw/zinc/65/74/32/1068657432.db2.gz 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/nfs/dbraw/zinc/70/36/47/1065703647.db2.gz IZKHHOIZHXBHRC-UHFFFAOYSA-N 0 1 456.562 4.584 20 0 JJADMN CC1(C)C[C@@H]1C(=O)Nc1cc(Br)ccc1CN1CCN(Cc2ccccc2)CC1 ZINC001438264516 1065704286 /nfs/dbraw/zinc/70/42/86/1065704286.db2.gz DLTWEEJABFEKBR-OAQYLSRUSA-N 0 1 456.428 4.752 20 0 JJADMN COc1ccc(Cc2nc3ccc(NC(=O)c4cnc(F)c(Br)c4)cc3[nH]2)cc1 ZINC001438856333 1065758873 /nfs/dbraw/zinc/75/88/73/1065758873.db2.gz RTONDMPWQXOQHY-UHFFFAOYSA-N 0 1 455.287 4.711 20 0 JJADMN CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(CN3CCCC3)c(C(F)(F)F)c2)CC1 ZINC001439227796 1065802418 /nfs/dbraw/zinc/80/24/18/1065802418.db2.gz YSHJIDPFSDJFIO-UHFFFAOYSA-N 0 1 455.521 4.744 20 0 JJADMN O=C(N[C@@H]1CCCN2CCSC[C@H]12)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243813 1065803889 /nfs/dbraw/zinc/80/38/89/1065803889.db2.gz CUFPGVWPIXLMSK-DBXWQHBBSA-N 0 1 451.419 4.810 20 0 JJADMN O=C(N[C@@H]1CCCN2CCSC[C@@H]12)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC001439243818 1065803947 /nfs/dbraw/zinc/80/39/47/1065803947.db2.gz CUFPGVWPIXLMSK-LQWHRVPQSA-N 0 1 451.419 4.810 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC001439348471 1065818043 /nfs/dbraw/zinc/81/80/43/1065818043.db2.gz AVSBKVVUGVTPKA-RBUKOAKNSA-N 0 1 457.537 4.604 20 0 JJADMN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCN1CC=CCC1 ZINC001360759195 1065828541 /nfs/dbraw/zinc/82/85/41/1065828541.db2.gz YWKBTFXQULIRLL-ROUUACIJSA-N 0 1 465.976 4.815 20 0 JJADMN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2ccccn2)n1C[C@H](c1ccsc1)N(C)C ZINC001360764554 1065845414 /nfs/dbraw/zinc/84/54/14/1065845414.db2.gz BUXPBWXAVGVYTN-PGRDOPGGSA-N 0 1 480.613 4.953 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CC1(CC)CCCC1 ZINC001545923762 1065853661 /nfs/dbraw/zinc/85/36/61/1065853661.db2.gz FFHXNTINJHBLEZ-QFIPXVFZSA-N 0 1 480.701 4.878 20 0 JJADMN CC(C)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001360774827 1065875502 /nfs/dbraw/zinc/87/55/02/1065875502.db2.gz UGHBKVBJXYQLKU-IMSXRSKXSA-N 0 1 487.664 4.929 20 0 JJADMN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001360775256 1065877416 /nfs/dbraw/zinc/87/74/16/1065877416.db2.gz ZDWFELULGBUXME-YADHBBJMSA-N 0 1 487.664 4.788 20 0 JJADMN CC(C)[C@H](C(=O)Nc1nc2cc(Br)c(F)cc2[nH]1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001440032877 1065905197 /nfs/dbraw/zinc/90/51/97/1065905197.db2.gz QYXFYQRHJPSUNW-BMIGLBTASA-N 0 1 457.344 4.588 20 0 JJADMN CC(C)[C@@H](C(=O)Nc1nc2cc(Br)c(F)cc2[nH]1)[C@H](C)NC(=O)OC(C)(C)C ZINC001440032889 1065905760 /nfs/dbraw/zinc/90/57/60/1065905760.db2.gz QYXFYQRHJPSUNW-ZUZCIYMTSA-N 0 1 457.344 4.588 20 0 JJADMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384695 1065936357 /nfs/dbraw/zinc/93/63/57/1065936357.db2.gz KQZJHIIOAGEADX-KRWDZBQOSA-N 0 1 450.004 4.508 20 0 JJADMN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384695 1065936369 /nfs/dbraw/zinc/93/63/69/1065936369.db2.gz KQZJHIIOAGEADX-KRWDZBQOSA-N 0 1 450.004 4.508 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)Cc1sc(SC(F)(F)F)nc1C)N1CCCC1 ZINC001440386874 1065936917 /nfs/dbraw/zinc/93/69/17/1065936917.db2.gz KCGIVOUBAVZGTO-HNNXBMFYSA-N 0 1 459.559 4.568 20 0 JJADMN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440392403 1065937325 /nfs/dbraw/zinc/93/73/25/1065937325.db2.gz YYBUKDXARGEWDR-FQEVSTJZSA-N 0 1 450.004 4.508 20 0 JJADMN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001440392403 1065937330 /nfs/dbraw/zinc/93/73/30/1065937330.db2.gz YYBUKDXARGEWDR-FQEVSTJZSA-N 0 1 450.004 4.508 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/CCc2ccccc2)ccc1C ZINC001440483887 1065943010 /nfs/dbraw/zinc/94/30/10/1065943010.db2.gz KFLULIHOYBJVLG-OQLLNIDSSA-N 0 1 450.560 4.932 20 0 JJADMN C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001440496955 1065944578 /nfs/dbraw/zinc/94/45/78/1065944578.db2.gz SWLCLRDEFSYPRS-MRXNPFEDSA-N 0 1 458.967 4.598 20 0 JJADMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(CN2CCCC2)o1 ZINC001440560929 1065949533 /nfs/dbraw/zinc/94/95/33/1065949533.db2.gz DFKWTAKWHBBDTI-UHFFFAOYSA-N 0 1 459.955 4.582 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C(C)C)oc3C)ccc2OC)cc1 ZINC001440594841 1065952915 /nfs/dbraw/zinc/95/29/15/1065952915.db2.gz JAGCEOMGWURMQM-UHFFFAOYSA-N 0 1 458.536 4.782 20 0 JJADMN CCc1oc2ccccc2c1CN(C)C(=O)c1cn[nH]c1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001440676339 1065962989 /nfs/dbraw/zinc/96/29/89/1065962989.db2.gz ZHYFTMGDIZEUGP-INIZCTEOSA-N 0 1 452.555 4.715 20 0 JJADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678258 1065963612 /nfs/dbraw/zinc/96/36/12/1065963612.db2.gz VSSRJMDYKILKAL-YADHBBJMSA-N 0 1 451.394 4.587 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](c2ccco2)N(C)C)o1 ZINC001360851696 1065965434 /nfs/dbraw/zinc/96/54/34/1065965434.db2.gz PMIYITSUAUYLBJ-QGZVFWFLSA-N 0 1 460.376 4.621 20 0 JJADMN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001440683232 1065965824 /nfs/dbraw/zinc/96/58/24/1065965824.db2.gz XXICMAGDKLCJEA-UTKZUKDTSA-N 0 1 452.039 4.750 20 0 JJADMN C[C@H](NC(=O)c1cccc(I)c1O)c1cc(F)c(Cl)cc1Cl ZINC001440723614 1065971457 /nfs/dbraw/zinc/97/14/57/1065971457.db2.gz AIFQKODOCFNWCT-ZETCQYMHSA-N 0 1 454.066 4.934 20 0 JJADMN O=C(/C=C\c1ccc(Cl)cc1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440748829 1065975938 /nfs/dbraw/zinc/97/59/38/1065975938.db2.gz UFNIQKKLVMAXLK-YFHOEESVSA-N 0 1 451.920 4.701 20 0 JJADMN C[C@H](CC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc(F)c1 ZINC001440749556 1065976072 /nfs/dbraw/zinc/97/60/72/1065976072.db2.gz WPLCAWVSBAZZJV-GOSISDBHSA-N 0 1 451.508 4.667 20 0 JJADMN C[C@@H]1CN(CCCNC(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C[C@@H](C)O1 ZINC001440826758 1065981835 /nfs/dbraw/zinc/98/18/35/1065981835.db2.gz NNXACICWTYIYSC-YVHKJVDXSA-N 0 1 451.007 4.928 20 0 JJADMN Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865554 1065985249 /nfs/dbraw/zinc/98/52/49/1065985249.db2.gz PXIOVQXZFNMKIA-DNQXCXABSA-N 0 1 457.659 4.893 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866150 1065987622 /nfs/dbraw/zinc/98/76/22/1065987622.db2.gz NJSCTSYHOPZNSW-NSHGMRRFSA-N 0 1 497.606 4.921 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1C ZINC001360869536 1065998141 /nfs/dbraw/zinc/99/81/41/1065998141.db2.gz ICSINBDBAGJYOT-RRJCBXKSSA-N 0 1 483.701 4.874 20 0 JJADMN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC001441039553 1066002669 /nfs/dbraw/zinc/00/26/69/1066002669.db2.gz QIBLZFJYQAWSDY-XMMPIXPASA-N 0 1 458.002 4.959 20 0 JJADMN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC001441039551 1066002708 /nfs/dbraw/zinc/00/27/08/1066002708.db2.gz QIBLZFJYQAWSDY-DEOSSOPVSA-N 0 1 458.002 4.959 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCCC[C@H](C)C3)n2CCN2CCSCC2)c1C ZINC001360874724 1066015038 /nfs/dbraw/zinc/01/50/38/1066015038.db2.gz OBNLLNVUHVMRBN-SIKLNZKXSA-N 0 1 457.688 4.710 20 0 JJADMN CCc1nc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001441225335 1066016931 /nfs/dbraw/zinc/01/69/31/1066016931.db2.gz LINZFFSKDDXUDO-KRWDZBQOSA-N 0 1 458.393 4.531 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2CCOc2ccc(Cl)cn2)c1C ZINC001360877430 1066023115 /nfs/dbraw/zinc/02/31/15/1066023115.db2.gz LJYJXAKMGYKNAH-OAQYLSRUSA-N 0 1 499.059 4.693 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2C[C@@H](c2ccsc2)N(C)C)c1C ZINC001360877909 1066024431 /nfs/dbraw/zinc/02/44/31/1066024431.db2.gz PSHSHKCRAIKGOS-UNMCSNQZSA-N 0 1 469.655 4.626 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN4CCCC[C@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878675 1066027043 /nfs/dbraw/zinc/02/70/43/1066027043.db2.gz YDOYJTLMOGGMSU-RPWUZVMVSA-N 0 1 469.674 4.772 20 0 JJADMN COc1cc(NC(=O)c2cccc3nc(C)[nH]c32)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001441321972 1066027931 /nfs/dbraw/zinc/02/79/31/1066027931.db2.gz MKEWQPNSVOKMIR-HUUCEWRRSA-N 0 1 450.539 4.544 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2C[C@H](c2ccsc2)N(C)C)c1C ZINC001360879069 1066028724 /nfs/dbraw/zinc/02/87/24/1066028724.db2.gz FRMFEBAVKZAQGW-CZTZKLFOSA-N 0 1 469.655 4.624 20 0 JJADMN COc1ccccc1Nc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001441326910 1066028827 /nfs/dbraw/zinc/02/88/27/1066028827.db2.gz SWEWMZUHVGYDFB-SFTDATJTSA-N 0 1 459.590 4.978 20 0 JJADMN CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001360880745 1066033529 /nfs/dbraw/zinc/03/35/29/1066033529.db2.gz BWPYLXDJLLULGQ-OAQYLSRUSA-N 0 1 499.084 4.772 20 0 JJADMN CC1(C)Oc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)cc2O1 ZINC001441367730 1066035669 /nfs/dbraw/zinc/03/56/69/1066035669.db2.gz VALDMPHRTLDATD-UHFFFAOYSA-N 0 1 458.923 4.900 20 0 JJADMN CC1=C(C)CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001360888509 1066041678 /nfs/dbraw/zinc/04/16/78/1066041678.db2.gz YIQWIDXILPRUEN-VXKWHMMOSA-N 0 1 498.672 4.835 20 0 JJADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(F)c(NC(=O)Cc4ccccc4)c3)[nH]2)c1 ZINC001441709508 1066063325 /nfs/dbraw/zinc/06/33/25/1066063325.db2.gz LKMLTSILZWSERW-UHFFFAOYSA-N 0 1 458.493 4.966 20 0 JJADMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cc12 ZINC001441812288 1066072155 /nfs/dbraw/zinc/07/21/55/1066072155.db2.gz JBHOTEDODDMGEW-OAQYLSRUSA-N 0 1 454.546 4.765 20 0 JJADMN C[C@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)c1cc2c(cc1Br)OCCO2 ZINC001441820520 1066073472 /nfs/dbraw/zinc/07/34/72/1066073472.db2.gz PPARXVZAUKLFPG-VIFPVBQESA-N 0 1 452.255 4.525 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC)N1CCCCC1 ZINC001441878742 1066076433 /nfs/dbraw/zinc/07/64/33/1066076433.db2.gz BYFKUYVYUWPFAG-LJQANCHMSA-N 0 1 456.656 4.770 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)N1CCCCC1 ZINC001441886752 1066078233 /nfs/dbraw/zinc/07/82/33/1066078233.db2.gz PBZNZXLVBAWHRM-MLUDITRGSA-N 0 1 454.567 4.600 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928950 1066084661 /nfs/dbraw/zinc/08/46/61/1066084661.db2.gz SEFXXTLIISDWQW-ZEQRLZLVSA-N 0 1 451.611 4.938 20 0 JJADMN CC(C)c1nc(C(=O)N2CCN(CCC(C)(C)C)CC2)nn1-c1c(Cl)cccc1Cl ZINC001442011348 1066085353 /nfs/dbraw/zinc/08/53/53/1066085353.db2.gz TVZYMUNAJVTVRI-UHFFFAOYSA-N 0 1 452.430 4.892 20 0 JJADMN O=C(NCC1(c2cccc(Br)c2)CCC1)c1cc(Br)cc(F)c1O ZINC001442066508 1066089042 /nfs/dbraw/zinc/08/90/42/1066089042.db2.gz ZIRBAVLJFKEUIN-UHFFFAOYSA-N 0 1 457.137 4.908 20 0 JJADMN O=C(c1cccc(Br)c1O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001442189087 1066100634 /nfs/dbraw/zinc/10/06/34/1066100634.db2.gz SUQOBQSIEZLDLF-UHFFFAOYSA-N 0 1 450.130 4.597 20 0 JJADMN Cc1occc1CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCSCC1 ZINC001360949537 1066105582 /nfs/dbraw/zinc/10/55/82/1066105582.db2.gz KGZCEPUESQDTGB-UHFFFAOYSA-N 0 1 496.464 4.751 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2Cl)CC1 ZINC001442243526 1066107318 /nfs/dbraw/zinc/10/73/18/1066107318.db2.gz FTYXTZXVJMFDNW-FQEVSTJZSA-N 0 1 456.801 4.851 20 0 JJADMN O=C(CCC(=O)Nc1c(F)cccc1F)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC001442334976 1066117610 /nfs/dbraw/zinc/11/76/10/1066117610.db2.gz XSVGTYFVSXZANH-UHFFFAOYSA-N 0 1 452.436 4.928 20 0 JJADMN CCCN(C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)[C@H](C)c1ccccc1OC ZINC001442399034 1066124076 /nfs/dbraw/zinc/12/40/76/1066124076.db2.gz UZXCRDZLXDLCJG-QZTJIDSGSA-N 0 1 456.587 4.756 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)(C(F)(F)F)C1 ZINC001442568038 1066139040 /nfs/dbraw/zinc/13/90/40/1066139040.db2.gz KJLBXDNRWAVJBS-NRFANRHFSA-N 0 1 452.477 4.958 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC001360983869 1066144216 /nfs/dbraw/zinc/14/42/16/1066144216.db2.gz WUGRAFBCHXCCSU-UHFFFAOYSA-N 0 1 457.618 4.877 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccsc1)N(C)C ZINC001360985486 1066147757 /nfs/dbraw/zinc/14/77/57/1066147757.db2.gz BVNXKLVZWMKKJR-VXKWHMMOSA-N 0 1 496.681 4.576 20 0 JJADMN CC[C@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1ccccc1 ZINC001442769002 1066159013 /nfs/dbraw/zinc/15/90/13/1066159013.db2.gz PBVZOZXKTYTTNQ-MRXNPFEDSA-N 0 1 458.967 4.770 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1Cc1ccc(F)cn1 ZINC001360991243 1066169458 /nfs/dbraw/zinc/16/94/58/1066169458.db2.gz ATYGHBCUYUGPBS-LJQANCHMSA-N 0 1 487.023 4.801 20 0 JJADMN C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC001442870043 1066234546 /nfs/dbraw/zinc/23/45/46/1066234546.db2.gz BPAIPDAOJQARPA-MRXNPFEDSA-N 0 1 458.484 4.955 20 0 JJADMN CCOc1ccc([C@]2(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)CC2(Cl)Cl)cc1 ZINC001442891154 1066238032 /nfs/dbraw/zinc/23/80/32/1066238032.db2.gz XSISSGMPJSGDPW-UGKGYDQZSA-N 0 1 451.394 4.755 20 0 JJADMN C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC001454213690 1066254771 /nfs/dbraw/zinc/25/47/71/1066254771.db2.gz CSXRSDWAWYLIOZ-GXFFZTMASA-N 0 1 451.741 4.753 20 0 JJADMN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC001454256499 1066258207 /nfs/dbraw/zinc/25/82/07/1066258207.db2.gz UZJCKJFCHWFFEQ-KRWDZBQOSA-N 0 1 457.321 4.804 20 0 JJADMN CSc1c(F)cccc1C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC001443053360 1066259230 /nfs/dbraw/zinc/25/92/30/1066259230.db2.gz WPZUAZKZKSUNPU-UHFFFAOYSA-N 0 1 450.583 4.560 20 0 JJADMN Cc1cccc(COc2ccc([C@H](C)NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)c1 ZINC001443093316 1066266075 /nfs/dbraw/zinc/26/60/75/1066266075.db2.gz AOWQAZCXRWQXQX-QHCPKHFHSA-N 0 1 457.618 4.812 20 0 JJADMN Cc1cc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CN(CC(C)C)CCO2)c2ccccc2n1 ZINC001361045689 1066271013 /nfs/dbraw/zinc/27/10/13/1066271013.db2.gz FVUPXDOFLVEDSI-LJQANCHMSA-N 0 1 490.574 4.547 20 0 JJADMN COc1cccc(C[C@@H]2CN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CCN2)c1 ZINC001454342428 1066272888 /nfs/dbraw/zinc/27/28/88/1066272888.db2.gz DYQCXVZFUZDQAK-HXUWFJFHSA-N 0 1 454.929 4.937 20 0 JJADMN Cc1cccc(N2CCN(CCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3C)CC2)c1 ZINC001443200329 1066278713 /nfs/dbraw/zinc/27/87/13/1066278713.db2.gz FGYHJEMBXLYGLU-UHFFFAOYSA-N 0 1 459.638 4.937 20 0 JJADMN Cc1cc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361050319 1066285252 /nfs/dbraw/zinc/28/52/52/1066285252.db2.gz XNXPREHFVFHLBP-MHZLTWQESA-N 0 1 464.658 4.519 20 0 JJADMN CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1 ZINC001443357368 1066300343 /nfs/dbraw/zinc/30/03/43/1066300343.db2.gz NZJVBNNUHWIGIG-HSZRJFAPSA-N 0 1 456.030 4.538 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)n2)cc1 ZINC001443361539 1066301919 /nfs/dbraw/zinc/30/19/19/1066301919.db2.gz XGMNDJHZHHRYAQ-UHFFFAOYSA-N 0 1 458.543 4.868 20 0 JJADMN COc1ccc(CCCCC(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)cc1OC ZINC001443386842 1066304916 /nfs/dbraw/zinc/30/49/16/1066304916.db2.gz OBUGNYMWZDMAQB-UHFFFAOYSA-N 0 1 450.583 4.918 20 0 JJADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443406967 1066306637 /nfs/dbraw/zinc/30/66/37/1066306637.db2.gz KRHXADXDRMDEDA-QGZVFWFLSA-N 0 1 453.936 4.618 20 0 JJADMN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)Nc1n[nH]c2cnc(Br)cc21 ZINC001454594362 1066307122 /nfs/dbraw/zinc/30/71/22/1066307122.db2.gz MQCIBAUOSIZPTH-UHFFFAOYSA-N 0 1 452.312 4.720 20 0 JJADMN Cc1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(C)C)cc(N2CCCC2)n1 ZINC001361067104 1066308000 /nfs/dbraw/zinc/30/80/00/1066308000.db2.gz FNNRMBFJJXWBJE-UHFFFAOYSA-N 0 1 475.641 4.591 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3csc(C)c3C)ccc2OC)cc1 ZINC001454617679 1066310398 /nfs/dbraw/zinc/31/03/98/1066310398.db2.gz STOKBLVDOPBTGY-UHFFFAOYSA-N 0 1 458.605 4.667 20 0 JJADMN Cc1nc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C ZINC001443457343 1066314333 /nfs/dbraw/zinc/31/43/33/1066314333.db2.gz FMKUWSAFTNOIPH-UHFFFAOYSA-N 0 1 455.483 4.832 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(CSC)c2)c1 ZINC001443513392 1066321256 /nfs/dbraw/zinc/32/12/56/1066321256.db2.gz GNNPWIJQUXHJNP-UHFFFAOYSA-N 0 1 456.589 4.920 20 0 JJADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC001443535247 1066326031 /nfs/dbraw/zinc/32/60/31/1066326031.db2.gz WXQMTCNNXDFKQH-KBXCAEBGSA-N 0 1 455.584 4.891 20 0 JJADMN CN(CC(F)F)C(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC001443549533 1066328362 /nfs/dbraw/zinc/32/83/62/1066328362.db2.gz NWOSZJRRLCBHQK-UHFFFAOYSA-N 0 1 457.713 4.785 20 0 JJADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001443576543 1066330429 /nfs/dbraw/zinc/33/04/29/1066330429.db2.gz DCUFRSMBWBSMHZ-UHFFFAOYSA-N 0 1 459.005 4.847 20 0 JJADMN CC(C)CN1Cc2cccc(NC(=O)c3cc(Br)cnc3Br)c2C1 ZINC001546065123 1066331149 /nfs/dbraw/zinc/33/11/49/1066331149.db2.gz FJJCDMMYRXEMBQ-UHFFFAOYSA-N 0 1 453.178 4.831 20 0 JJADMN CC(C)(C)C(=O)NCc1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC001443579485 1066331786 /nfs/dbraw/zinc/33/17/86/1066331786.db2.gz MVGUDBVNMMXHDZ-UHFFFAOYSA-N 0 1 456.030 4.644 20 0 JJADMN O=C(Cc1ccc(Br)cc1F)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC001443581495 1066331865 /nfs/dbraw/zinc/33/18/65/1066331865.db2.gz RXXAOUQFGBWEIR-UHFFFAOYSA-N 0 1 453.783 4.813 20 0 JJADMN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)co1 ZINC001443583534 1066332339 /nfs/dbraw/zinc/33/23/39/1066332339.db2.gz WPWAWHXHPKUDRL-HJWRWDBZSA-N 0 1 458.986 4.930 20 0 JJADMN Cn1nc(C(F)F)c2cc(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)sc21 ZINC001443582554 1066332586 /nfs/dbraw/zinc/33/25/86/1066332586.db2.gz UKIYIOGPDJHCFD-UHFFFAOYSA-N 0 1 452.958 4.868 20 0 JJADMN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001443597054 1066335020 /nfs/dbraw/zinc/33/50/20/1066335020.db2.gz AZGIOUPLPSPFPP-UHFFFAOYSA-N 0 1 456.774 4.590 20 0 JJADMN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443630114 1066340227 /nfs/dbraw/zinc/34/02/27/1066340227.db2.gz FGOXFBDKBNPGQR-OAQYLSRUSA-N 0 1 458.046 4.868 20 0 JJADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 ZINC001454929504 1066343047 /nfs/dbraw/zinc/34/30/47/1066343047.db2.gz ZTAQMIPCNCAEFY-KRWDZBQOSA-N 0 1 456.468 4.506 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1 ZINC001454966129 1066347108 /nfs/dbraw/zinc/34/71/08/1066347108.db2.gz RLTATUUZFWCGQF-UHFFFAOYSA-N 0 1 450.438 4.825 20 0 JJADMN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC001443677829 1066348361 /nfs/dbraw/zinc/34/83/61/1066348361.db2.gz SDHWGQQGNHDZFM-UHFFFAOYSA-N 0 1 453.493 4.828 20 0 JJADMN Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005931 1066351608 /nfs/dbraw/zinc/35/16/08/1066351608.db2.gz ABGRPQPZRANWBX-MAUKXSAKSA-N 0 1 451.792 4.569 20 0 JJADMN Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005937 1066352027 /nfs/dbraw/zinc/35/20/27/1066352027.db2.gz ABGRPQPZRANWBX-YJBOKZPZSA-N 0 1 451.792 4.569 20 0 JJADMN Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)cc1 ZINC001455015520 1066353663 /nfs/dbraw/zinc/35/36/63/1066353663.db2.gz VWYXTJYBVNTDBO-GOSISDBHSA-N 0 1 452.190 4.524 20 0 JJADMN CCOC(=O)c1sc(C2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)nc1C ZINC001455057729 1066356376 /nfs/dbraw/zinc/35/63/76/1066356376.db2.gz YVZSXEASJHKSFL-UHFFFAOYSA-N 0 1 458.971 4.692 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001546068137 1066356914 /nfs/dbraw/zinc/35/69/14/1066356914.db2.gz ITIUARQSBMAGQQ-URXFXBBRSA-N 0 1 490.490 4.691 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1 ZINC001443822548 1066371782 /nfs/dbraw/zinc/37/17/82/1066371782.db2.gz NUZHBAHRWOPJRH-DEOSSOPVSA-N 0 1 452.576 4.965 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001361126371 1066384172 /nfs/dbraw/zinc/38/41/72/1066384172.db2.gz QVAGSQTYVJLCOK-HJOGWXRNSA-N 0 1 483.701 4.738 20 0 JJADMN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001455411418 1066387528 /nfs/dbraw/zinc/38/75/28/1066387528.db2.gz ZAULTFFXVOQGIW-INIZCTEOSA-N 0 1 456.493 4.592 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2cccs2)c1 ZINC001443975223 1066389749 /nfs/dbraw/zinc/38/97/49/1066389749.db2.gz SPMACCQSIJTFCT-UHFFFAOYSA-N 0 1 458.605 4.574 20 0 JJADMN Cc1n[nH]c(I)c1C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC001443996491 1066392555 /nfs/dbraw/zinc/39/25/55/1066392555.db2.gz URBXQPAUGHDJBF-UHFFFAOYSA-N 0 1 455.243 4.538 20 0 JJADMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)C2)n[nH]1 ZINC001455463349 1066394267 /nfs/dbraw/zinc/39/42/67/1066394267.db2.gz HZTZHCKTAJXWMR-PZJWPPBQSA-N 0 1 452.599 4.774 20 0 JJADMN CCOc1c(Br)cc(C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc1OC ZINC001455465796 1066394830 /nfs/dbraw/zinc/39/48/30/1066394830.db2.gz OUVOIVUJWKFRCO-CQSZACIVSA-N 0 1 450.377 4.723 20 0 JJADMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001444022378 1066395376 /nfs/dbraw/zinc/39/53/76/1066395376.db2.gz BKWSTUWNMQNJFZ-HXUWFJFHSA-N 0 1 458.415 4.757 20 0 JJADMN COCC(C)(C)CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001455475740 1066395859 /nfs/dbraw/zinc/39/58/59/1066395859.db2.gz FFEWVGUWTNCAMD-UHFFFAOYSA-N 0 1 459.395 4.587 20 0 JJADMN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2O)CC1 ZINC001444062021 1066398436 /nfs/dbraw/zinc/39/84/36/1066398436.db2.gz GPMDINIXUBKKFO-QFIPXVFZSA-N 0 1 454.473 4.652 20 0 JJADMN CCCc1sc(C(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1CC ZINC001455535691 1066406578 /nfs/dbraw/zinc/40/65/78/1066406578.db2.gz JIDORUCBZIGWPA-UHFFFAOYSA-N 0 1 451.677 4.716 20 0 JJADMN CCN(CC)[C@H](C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC001455557641 1066409491 /nfs/dbraw/zinc/40/94/91/1066409491.db2.gz CUERKPPNEYFCLS-HBMCJLEFSA-N 0 1 468.560 4.915 20 0 JJADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccc2)cn1 ZINC001444127367 1066410309 /nfs/dbraw/zinc/41/03/09/1066410309.db2.gz DBNTYWXPVOXPAN-NRFANRHFSA-N 0 1 455.480 4.684 20 0 JJADMN CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@]1(C)C[C@@H](O)CN1C ZINC001455580685 1066412433 /nfs/dbraw/zinc/41/24/33/1066412433.db2.gz FIJVSKYBHTZUTK-IERDGZPVSA-N 0 1 457.785 4.853 20 0 JJADMN CC1(C)[C@@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccc(OCc2nn[nH]n2)cc1 ZINC001444204278 1066429048 /nfs/dbraw/zinc/42/90/48/1066429048.db2.gz FRWQROVBWFZRLI-IDCAIIJXSA-N 0 1 458.349 4.923 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC001444212907 1066430066 /nfs/dbraw/zinc/43/00/66/1066430066.db2.gz ACWUGWYRHLNEBF-CVEARBPZSA-N 0 1 450.988 4.800 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC001444212934 1066430905 /nfs/dbraw/zinc/43/09/05/1066430905.db2.gz ACWUGWYRHLNEBF-JKSUJKDBSA-N 0 1 450.988 4.800 20 0 JJADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC001444292812 1066444032 /nfs/dbraw/zinc/44/40/32/1066444032.db2.gz HGUGYANGLPIGHF-GHTZIAJQSA-N 0 1 453.583 4.864 20 0 JJADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC001444292812 1066444039 /nfs/dbraw/zinc/44/40/39/1066444039.db2.gz HGUGYANGLPIGHF-GHTZIAJQSA-N 0 1 453.583 4.864 20 0 JJADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC001444292854 1066444858 /nfs/dbraw/zinc/44/48/58/1066444858.db2.gz HGUGYANGLPIGHF-WIYYLYMNSA-N 0 1 453.583 4.864 20 0 JJADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC001444292854 1066444862 /nfs/dbraw/zinc/44/48/62/1066444862.db2.gz HGUGYANGLPIGHF-WIYYLYMNSA-N 0 1 453.583 4.864 20 0 JJADMN CN1CCN(C[C@@H](NC(=O)CC(Cc2ccccc2)Cc2ccccc2)c2ccccc2)CC1 ZINC001455934353 1066454511 /nfs/dbraw/zinc/45/45/11/1066454511.db2.gz RVZDQDQRSOCYSV-GDLZYMKVSA-N 0 1 455.646 4.583 20 0 JJADMN C[C@H](NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@H]1CN(C)CCN1C ZINC001444401638 1066458264 /nfs/dbraw/zinc/45/82/64/1066458264.db2.gz DIPMSLRSKNSSMW-DLVCFXQMSA-N 0 1 452.451 4.577 20 0 JJADMN Cc1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)c(C)n1C(C)C ZINC001444571289 1066478568 /nfs/dbraw/zinc/47/85/68/1066478568.db2.gz RQMSQGZECLWFGB-UHFFFAOYSA-N 0 1 452.559 4.748 20 0 JJADMN Cc1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)OC(C)(C)C)n[nH]3)cc2)c(C)n1C(C)C ZINC001444571289 1066478578 /nfs/dbraw/zinc/47/85/78/1066478578.db2.gz RQMSQGZECLWFGB-UHFFFAOYSA-N 0 1 452.559 4.748 20 0 JJADMN CCCc1sc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1Br ZINC001444579208 1066478876 /nfs/dbraw/zinc/47/88/76/1066478876.db2.gz JBXPMBSQNNMYFH-UHFFFAOYSA-N 0 1 451.346 4.518 20 0 JJADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001444595582 1066479309 /nfs/dbraw/zinc/47/93/09/1066479309.db2.gz FSWSFUMXUZQQQQ-MRXNPFEDSA-N 0 1 456.315 4.713 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C3(c4ccccc4Cl)CCC3)CC2)c1C ZINC001456039001 1066487869 /nfs/dbraw/zinc/48/78/69/1066487869.db2.gz PVQOEVZUWHRMAQ-UHFFFAOYSA-N 0 1 456.030 4.905 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)c1C ZINC001456041788 1066488898 /nfs/dbraw/zinc/48/88/98/1066488898.db2.gz WYSRFPKCQIEQOI-DNVKUUNQSA-N 0 1 459.675 4.607 20 0 JJADMN Cc1ccc(Br)nc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001361176832 1066495256 /nfs/dbraw/zinc/49/52/56/1066495256.db2.gz XDPOUSRQJWLANR-UHFFFAOYSA-N 0 1 459.388 4.609 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361178743 1066499556 /nfs/dbraw/zinc/49/95/56/1066499556.db2.gz RFCBGZXEBWEDHD-KDURUIRLSA-N 0 1 458.006 4.636 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](CNc4ccc(Cl)cc4)C3)n[nH]2)cc1OC ZINC001456077812 1066504059 /nfs/dbraw/zinc/50/40/59/1066504059.db2.gz KHFYHRUGSWNZNQ-INIZCTEOSA-N 0 1 454.958 4.712 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H](CNc4ccc(Cl)cc4)C3)n[nH]2)cc1OC ZINC001456077815 1066504188 /nfs/dbraw/zinc/50/41/88/1066504188.db2.gz KHFYHRUGSWNZNQ-MRXNPFEDSA-N 0 1 454.958 4.712 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079624 1066513203 /nfs/dbraw/zinc/51/32/03/1066513203.db2.gz QJHUBHJSGHSXPQ-UNVFRBQDSA-N 0 1 473.637 4.510 20 0 JJADMN Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H](c2ccco2)N(C)C)o1 ZINC001361191204 1066517203 /nfs/dbraw/zinc/51/72/03/1066517203.db2.gz KEFHFBYUCXQSFC-KRWDZBQOSA-N 0 1 451.493 4.911 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(NCc2ccsc2)cc1 ZINC001444910435 1066517727 /nfs/dbraw/zinc/51/77/27/1066517727.db2.gz UPMLBXVEEMLGCA-UHFFFAOYSA-N 0 1 450.608 4.763 20 0 JJADMN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](c2ccccc2Cl)N(C)C)o1 ZINC001361195717 1066523017 /nfs/dbraw/zinc/52/30/17/1066523017.db2.gz FENDEKVFDDJVDP-QKYXUNIQSA-N 0 1 497.949 4.959 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cnc3[nH]ccc3c2C)ccc1Cl ZINC001456154183 1066524391 /nfs/dbraw/zinc/52/43/91/1066524391.db2.gz XMAYGEDVYMVVET-UHFFFAOYSA-N 0 1 454.939 4.838 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)[nH]n2)c1C ZINC001444985871 1066525956 /nfs/dbraw/zinc/52/59/56/1066525956.db2.gz KXSOCUPQPZJTNQ-HNNXBMFYSA-N 0 1 451.571 4.998 20 0 JJADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001445051772 1066534306 /nfs/dbraw/zinc/53/43/06/1066534306.db2.gz FVAJFRVUIOYFSA-QRWLVFNGSA-N 0 1 450.988 4.887 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1 ZINC001445083003 1066537626 /nfs/dbraw/zinc/53/76/26/1066537626.db2.gz GWERJFJRWGCSNC-JTQLQIEISA-N 0 1 453.661 4.692 20 0 JJADMN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001445093563 1066539185 /nfs/dbraw/zinc/53/91/85/1066539185.db2.gz TXEKWTRKRDEUON-FQEVSTJZSA-N 0 1 453.999 4.866 20 0 JJADMN CCc1c(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cnn1-c1ccccc1Cl ZINC001456237348 1066541767 /nfs/dbraw/zinc/54/17/67/1066541767.db2.gz XSGJCVIHBDJBRS-UHFFFAOYSA-N 0 1 451.880 4.850 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC[C@@H](C)CC3)n2CCCCN2CCOCC2)cc1Br ZINC001361213485 1066548266 /nfs/dbraw/zinc/54/82/66/1066548266.db2.gz XYYNKPYJCVQUKW-LJQANCHMSA-N 0 1 490.490 4.755 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001445294344 1066555372 /nfs/dbraw/zinc/55/53/72/1066555372.db2.gz FUYGGMWMKFQDKB-AVRDEDQJSA-N 0 1 450.560 4.514 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H]2CC=CCC2)cc1Br ZINC001361221437 1066559944 /nfs/dbraw/zinc/55/99/44/1066559944.db2.gz YTYMZOUDGGEXMC-LJQANCHMSA-N 0 1 458.448 4.903 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCSC(C)C)cc1Br ZINC001361221378 1066560158 /nfs/dbraw/zinc/56/01/58/1066560158.db2.gz XTHGIDJMQUILQJ-UHFFFAOYSA-N 0 1 466.493 4.688 20 0 JJADMN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCC(c2cnc[nH]2)CC1 ZINC001445343770 1066560220 /nfs/dbraw/zinc/56/02/20/1066560220.db2.gz BWJSKGOGDKHJDX-UHFFFAOYSA-N 0 1 453.134 4.701 20 0 JJADMN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc2c(cncc2Br)s1 ZINC001456307746 1066560337 /nfs/dbraw/zinc/56/03/37/1066560337.db2.gz VTMQJBBOASVURR-UHFFFAOYSA-N 0 1 454.459 4.540 20 0 JJADMN Cc1cc(C(=O)Nc2ccc3nc(CNC(=O)OC(C)(C)C)[nH]c3c2)ccc1Br ZINC001456376660 1066573647 /nfs/dbraw/zinc/57/36/47/1066573647.db2.gz SLKYXIAHSVDVMI-UHFFFAOYSA-N 0 1 459.344 4.911 20 0 JJADMN CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001445475216 1066575577 /nfs/dbraw/zinc/57/55/77/1066575577.db2.gz YXIWCTUPORRHMQ-QFIPXVFZSA-N 0 1 457.412 4.925 20 0 JJADMN O=C(CSCc1ccc(Br)cc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC001361247424 1066589913 /nfs/dbraw/zinc/58/99/13/1066589913.db2.gz BZEZQJXXCBNCAF-UHFFFAOYSA-N 0 1 455.175 4.960 20 0 JJADMN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)c3cccc(Br)c3O)n2c1 ZINC001456475304 1066594222 /nfs/dbraw/zinc/59/42/22/1066594222.db2.gz KFOBGLVIYBAFKG-UHFFFAOYSA-N 0 1 454.299 4.847 20 0 JJADMN Cc1cc([C@H]2CCCCN2C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)n[nH]1 ZINC001456500030 1066601698 /nfs/dbraw/zinc/60/16/98/1066601698.db2.gz XXYZYEGEZKJUOQ-QGZVFWFLSA-N 0 1 457.328 4.693 20 0 JJADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1c(F)c(F)c(Br)c(F)c1F ZINC001445738351 1066612871 /nfs/dbraw/zinc/61/28/71/1066612871.db2.gz HFMSBHWSUQOANC-SNVBAGLBSA-N 0 1 458.209 4.986 20 0 JJADMN Cc1ccc(CN(Cc2ccco2)c2nnc(C)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361261534 1066613717 /nfs/dbraw/zinc/61/37/17/1066613717.db2.gz FADAPWNQQYVAFB-HDICACEKSA-N 0 1 457.644 4.644 20 0 JJADMN Cc1ccc(CN(Cc2ccco2)c2nnc(C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001361261536 1066613736 /nfs/dbraw/zinc/61/37/36/1066613736.db2.gz FADAPWNQQYVAFB-QZTJIDSGSA-N 0 1 457.644 4.644 20 0 JJADMN Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)ccc2[nH]1 ZINC001445757092 1066614568 /nfs/dbraw/zinc/61/45/68/1066614568.db2.gz YJYABLBJGXLKIL-UHFFFAOYSA-N 0 1 454.939 4.886 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361261860 1066614958 /nfs/dbraw/zinc/61/49/58/1066614958.db2.gz ZIFFOYNQFPQAAI-KDURUIRLSA-N 0 1 487.645 4.502 20 0 JJADMN CCN(C)[C@@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624950 1066649013 /nfs/dbraw/zinc/64/90/13/1066649013.db2.gz WGVFSBDKORFUIF-ZJSXRUAMSA-N 0 1 457.659 4.955 20 0 JJADMN Cc1ccccc1O[C@@H](C)Cn1c(N2CCN(CCc3cccs3)CC2)nnc1C(C)(C)C ZINC001492598976 1066649757 /nfs/dbraw/zinc/64/97/57/1066649757.db2.gz SBXNYFBYIVOPAK-NRFANRHFSA-N 0 1 467.683 4.778 20 0 JJADMN Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001446175908 1066668839 /nfs/dbraw/zinc/66/88/39/1066668839.db2.gz PSANRLBVSSLUFI-MSOLQXFVSA-N 0 1 454.412 4.834 20 0 JJADMN Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001446175911 1066668875 /nfs/dbraw/zinc/66/88/75/1066668875.db2.gz PSANRLBVSSLUFI-QZTJIDSGSA-N 0 1 454.412 4.834 20 0 JJADMN CC1=CCCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001492609210 1066670367 /nfs/dbraw/zinc/67/03/67/1066670367.db2.gz OSVWBJOETKFAIH-KDURUIRLSA-N 0 1 488.474 4.752 20 0 JJADMN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC001446713792 1066733631 /nfs/dbraw/zinc/73/36/31/1066733631.db2.gz OVYDIQGYPVNRRJ-UHFFFAOYSA-N 0 1 457.014 4.884 20 0 JJADMN COc1ccc(-c2ccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)c(F)c2)c(F)c1 ZINC001446717143 1066734024 /nfs/dbraw/zinc/73/40/24/1066734024.db2.gz UGOTYWRHWDUCFR-UHFFFAOYSA-N 0 1 458.549 4.605 20 0 JJADMN Cc1csc([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492641598 1066734992 /nfs/dbraw/zinc/73/49/92/1066734992.db2.gz HOGVRQFIJKDWMR-HBMCJLEFSA-N 0 1 488.746 4.903 20 0 JJADMN Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642982 1066737833 /nfs/dbraw/zinc/73/78/33/1066737833.db2.gz WSHMTYIMRWKHCL-ZCNNSNEGSA-N 0 1 474.719 4.612 20 0 JJADMN Cc1csc(CCCCn2c(N(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)n1 ZINC001492643322 1066739303 /nfs/dbraw/zinc/73/93/03/1066739303.db2.gz FSDDRNCZPXFWNB-NZQKXSOJSA-N 0 1 498.745 4.616 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(C)onc1-c1cccc(Cl)c1 ZINC001457011406 1066741664 /nfs/dbraw/zinc/74/16/64/1066741664.db2.gz QDYBCHBIMJEQKO-UHFFFAOYSA-N 0 1 454.958 4.706 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492645665 1066746456 /nfs/dbraw/zinc/74/64/56/1066746456.db2.gz DZEDUGJOFCYADX-HDICACEKSA-N 0 1 489.089 4.888 20 0 JJADMN Cc1csc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492647139 1066751017 /nfs/dbraw/zinc/75/10/17/1066751017.db2.gz FXSATUDTNFUOAD-OALUTQOASA-N 0 1 489.636 4.653 20 0 JJADMN Cc1cscc1Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCC(C)C ZINC001492655295 1066765798 /nfs/dbraw/zinc/76/57/98/1066765798.db2.gz GTBOLWIHYKLYNP-UHFFFAOYSA-N 0 1 466.699 4.543 20 0 JJADMN CC(=O)c1ccc(O)c(NC(=O)C[C@H](C)CCc2ccc(I)cc2)c1 ZINC001447029172 1066767978 /nfs/dbraw/zinc/76/79/78/1066767978.db2.gz ZLPNSRZFJRTSAE-CYBMUJFWSA-N 0 1 451.304 4.797 20 0 JJADMN Cn1c(C(=O)Nc2cc(Cl)cc(Br)c2O)cc2cc(Br)cnc21 ZINC001447096682 1066772521 /nfs/dbraw/zinc/77/25/21/1066772521.db2.gz UROZBNLJRDAVGR-UHFFFAOYSA-N 0 1 459.525 4.710 20 0 JJADMN Cc1cccc(CN2CCCC[C@H]2C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195877 1066784947 /nfs/dbraw/zinc/78/49/47/1066784947.db2.gz MIMMBYYJFJGHBJ-UPVQGACJSA-N 0 1 457.659 4.893 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195867 1066785015 /nfs/dbraw/zinc/78/50/15/1066785015.db2.gz MIMMBYYJFJGHBJ-ISKFKSNPSA-N 0 1 457.659 4.893 20 0 JJADMN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)c12 ZINC001447286267 1066788008 /nfs/dbraw/zinc/78/80/08/1066788008.db2.gz MAPHQJXYIGQMGS-GFCCVEGCSA-N 0 1 458.444 4.950 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H](c2ccsc2)N(C)C)cs1 ZINC001492666104 1066789914 /nfs/dbraw/zinc/78/99/14/1066789914.db2.gz HGMDZIJVMQOJHT-FQEVSTJZSA-N 0 1 488.086 4.683 20 0 JJADMN C[C@@H](Oc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445363 1066810352 /nfs/dbraw/zinc/81/03/52/1066810352.db2.gz HOTHRZGZDBZMJG-SZNDQCEHSA-N 0 1 451.889 4.652 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(C)C)CC2)n1 ZINC001492686434 1066831497 /nfs/dbraw/zinc/83/14/97/1066831497.db2.gz AYSYRMZSVMOYQY-INIZCTEOSA-N 0 1 458.010 4.613 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(C)C)CC2)[nH]1 ZINC001492686434 1066831505 /nfs/dbraw/zinc/83/15/05/1066831505.db2.gz AYSYRMZSVMOYQY-INIZCTEOSA-N 0 1 458.010 4.613 20 0 JJADMN CCN(CCNC(=O)c1cc(-c2ccc(Br)cc2)ns1)CCC(F)(F)F ZINC001447639849 1066834155 /nfs/dbraw/zinc/83/41/55/1066834155.db2.gz MNYJYOUWTXTCAQ-UHFFFAOYSA-N 0 1 450.324 4.577 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(Cc2cccs2)C(C)C)n1 ZINC001492687824 1066834256 /nfs/dbraw/zinc/83/42/56/1066834256.db2.gz RMZRSVXCAJGMDZ-UHFFFAOYSA-N 0 1 473.553 4.692 20 0 JJADMN Cc1nnc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(Cc2cccs2)C(C)C)[nH]1 ZINC001492687824 1066834272 /nfs/dbraw/zinc/83/42/72/1066834272.db2.gz RMZRSVXCAJGMDZ-UHFFFAOYSA-N 0 1 473.553 4.692 20 0 JJADMN COC(=O)c1nc(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)sc1C1CC1 ZINC001447653483 1066836612 /nfs/dbraw/zinc/83/66/12/1066836612.db2.gz MJFKCFDOFDQEDR-UHFFFAOYSA-N 0 1 450.442 4.777 20 0 JJADMN Cc1n[nH]c(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@H](CC(C)C)C2)n1 ZINC001492691711 1066836665 /nfs/dbraw/zinc/83/66/65/1066836665.db2.gz LQKHSZSGQIARFP-QGZVFWFLSA-N 0 1 460.051 4.765 20 0 JJADMN Cc1nnc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@H](CC(C)C)C2)[nH]1 ZINC001492691711 1066836676 /nfs/dbraw/zinc/83/66/76/1066836676.db2.gz LQKHSZSGQIARFP-QGZVFWFLSA-N 0 1 460.051 4.765 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(CC(C)C)C(C)C)n1 ZINC001492692332 1066838016 /nfs/dbraw/zinc/83/80/16/1066838016.db2.gz XLSAURGAWOXLKP-UHFFFAOYSA-N 0 1 453.635 4.695 20 0 JJADMN Cc1nnc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(CC(C)C)C(C)C)[nH]1 ZINC001492692332 1066838023 /nfs/dbraw/zinc/83/80/23/1066838023.db2.gz XLSAURGAWOXLKP-UHFFFAOYSA-N 0 1 453.635 4.695 20 0 JJADMN Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001492695345 1066841561 /nfs/dbraw/zinc/84/15/61/1066841561.db2.gz XSVVGVWXHDCLIA-LVCYWYKZSA-N 0 1 474.719 4.861 20 0 JJADMN COc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC001457504093 1066844599 /nfs/dbraw/zinc/84/45/99/1066844599.db2.gz MGCRODMPRMBLMQ-UQDCGMOVSA-N 0 1 454.523 4.623 20 0 JJADMN COc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)sn1 ZINC001457504614 1066845580 /nfs/dbraw/zinc/84/55/80/1066845580.db2.gz RQUVHMQALJLVES-UHFFFAOYSA-N 0 1 458.348 4.512 20 0 JJADMN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)c2C1 ZINC001447794979 1066859606 /nfs/dbraw/zinc/85/96/06/1066859606.db2.gz FYHVLAHUYFVQAR-VQTJNVASSA-N 0 1 451.655 4.693 20 0 JJADMN COCCOc1cc(C)ccc1NC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1 ZINC001457555787 1066860820 /nfs/dbraw/zinc/86/08/20/1066860820.db2.gz URPJHBOTZJPMLQ-UHFFFAOYSA-N 0 1 457.530 4.608 20 0 JJADMN COc1ccc(/C=C(\C(=O)NCC2(CN3CCOCC3)CCCCC2)c2cccs2)cc1 ZINC001457561400 1066861295 /nfs/dbraw/zinc/86/12/95/1066861295.db2.gz ISKKGIUNVSZLPX-NKFKGCMQSA-N 0 1 454.636 4.696 20 0 JJADMN COc1cccc(N(CC(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)C(=O)OC(C)(C)C)c1 ZINC001457559615 1066861340 /nfs/dbraw/zinc/86/13/40/1066861340.db2.gz XKPXGRBLJQVYMM-UHFFFAOYSA-N 0 1 457.918 4.514 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001447956331 1066882206 /nfs/dbraw/zinc/88/22/06/1066882206.db2.gz BWHFGMCFYSAACF-QFBILLFUSA-N 0 1 457.537 4.556 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021113 1066890819 /nfs/dbraw/zinc/89/08/19/1066890819.db2.gz FKPDNORCBXRVAX-LEWJYISDSA-N 0 1 456.455 4.967 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3ccsc3s2)c1 ZINC001457660666 1066892067 /nfs/dbraw/zinc/89/20/67/1066892067.db2.gz PUCUGVFLDRXIGQ-UHFFFAOYSA-N 0 1 459.574 4.728 20 0 JJADMN CO[C@H](CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl)C(C)C ZINC001457672537 1066894944 /nfs/dbraw/zinc/89/49/44/1066894944.db2.gz WZDNZHQKUGZLPQ-GOSISDBHSA-N 0 1 459.395 4.503 20 0 JJADMN CN(C)[C@H](CNC(=O)Cc1csc(NC2(C)CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC001448062376 1066895105 /nfs/dbraw/zinc/89/51/05/1066895105.db2.gz HWDSYEWEGQVUQS-GOSISDBHSA-N 0 1 454.562 4.868 20 0 JJADMN Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448069509 1066896214 /nfs/dbraw/zinc/89/62/14/1066896214.db2.gz SWIDBCIQALAWNO-LJQANCHMSA-N 0 1 450.892 4.886 20 0 JJADMN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448070770 1066896229 /nfs/dbraw/zinc/89/62/29/1066896229.db2.gz WRWKJRSIUFJFOZ-SFHVURJKSA-N 0 1 459.553 4.755 20 0 JJADMN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(CN(C)C)ccn2)c(OC)c1 ZINC001457683075 1066896637 /nfs/dbraw/zinc/89/66/37/1066896637.db2.gz IXIOPAPGCQETQE-UHFFFAOYSA-N 0 1 458.562 4.880 20 0 JJADMN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(F)cc(Cl)c3O)C2)c2ccccc12 ZINC001448120660 1066902008 /nfs/dbraw/zinc/90/20/08/1066902008.db2.gz KXNFMVSRHSDDEQ-CQSZACIVSA-N 0 1 456.901 4.837 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3Cl)[nH]c2c1 ZINC001448125858 1066902530 /nfs/dbraw/zinc/90/25/30/1066902530.db2.gz SGFGOLYOCKWOSO-CYBMUJFWSA-N 0 1 458.946 4.992 20 0 JJADMN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC001448226482 1066910818 /nfs/dbraw/zinc/91/08/18/1066910818.db2.gz NQENQAAUTJKQPZ-LLVKDONJSA-N 0 1 451.310 4.709 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@@H](c2ccco2)N(C)C)n1 ZINC001492741372 1066917077 /nfs/dbraw/zinc/91/70/77/1066917077.db2.gz ZCOUBEPKIANYHX-QHCPKHFHSA-N 0 1 479.604 4.590 20 0 JJADMN CN(Cc1nnc[nH]1)C(=O)c1cc(C=Cc2cccs2)nc2ccc(Br)cc21 ZINC001457776726 1066917394 /nfs/dbraw/zinc/91/73/94/1066917394.db2.gz ZWBYVESZUIWMHT-WAYWQWQTSA-N 0 1 454.353 4.620 20 0 JJADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)C1 ZINC001448345924 1066918063 /nfs/dbraw/zinc/91/80/63/1066918063.db2.gz CYUWEDMVIAEUQI-ZTNFWEORSA-N 0 1 458.990 4.550 20 0 JJADMN CC(C)[C@H](NC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1)[C@@H](O)c1ccccc1 ZINC001457780008 1066918207 /nfs/dbraw/zinc/91/82/07/1066918207.db2.gz NWAHJOKZJFQTKN-SVBPBHIXSA-N 0 1 455.558 4.510 20 0 JJADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)C1 ZINC001448345901 1066918244 /nfs/dbraw/zinc/91/82/44/1066918244.db2.gz CYUWEDMVIAEUQI-MOXGXCLJSA-N 0 1 458.990 4.550 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457785810 1066919306 /nfs/dbraw/zinc/91/93/06/1066919306.db2.gz CVSICJZSAXAXNT-GOSISDBHSA-N 0 1 450.564 4.564 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1sc2ncccc2c1Cl ZINC001457791096 1066921649 /nfs/dbraw/zinc/92/16/49/1066921649.db2.gz SWAMWLBLJPUTPB-INIZCTEOSA-N 0 1 454.983 4.803 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc2c(ccnc2Cl)s1 ZINC001457792333 1066922155 /nfs/dbraw/zinc/92/21/55/1066922155.db2.gz VGLCTCTXDBEAQF-INIZCTEOSA-N 0 1 454.983 4.803 20 0 JJADMN C[C@H](O)[C@@](C)(CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)Cc1ccccc1 ZINC001457801698 1066923541 /nfs/dbraw/zinc/92/35/41/1066923541.db2.gz IIMADTLURQDDCG-HMILPKGGSA-N 0 1 456.542 4.680 20 0 JJADMN O=C(Cc1n[nH]c(C2CCOCC2)n1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001448404018 1066923745 /nfs/dbraw/zinc/92/37/45/1066923745.db2.gz BMWLFGZAGFUEHY-OAQYLSRUSA-N 0 1 450.505 4.698 20 0 JJADMN O=C(Cc1n[nH]c(C2CCOCC2)n1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC001448404013 1066923767 /nfs/dbraw/zinc/92/37/67/1066923767.db2.gz BMWLFGZAGFUEHY-NRFANRHFSA-N 0 1 450.505 4.698 20 0 JJADMN CC(C)[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437185 1066927287 /nfs/dbraw/zinc/92/72/87/1066927287.db2.gz JUCGNRLTJRFRDB-DHIUTWEWSA-N 0 1 457.590 4.664 20 0 JJADMN O=C(Cc1c(F)ccc(Br)c1F)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC001448500598 1066933753 /nfs/dbraw/zinc/93/37/53/1066933753.db2.gz DXUBLENHVLTNES-ZDUSSCGKSA-N 0 1 452.343 4.714 20 0 JJADMN O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457932339 1066942627 /nfs/dbraw/zinc/94/26/27/1066942627.db2.gz FEJCMHKLVAPSGK-CYBMUJFWSA-N 0 1 457.789 4.675 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC2CCC2)ccc1C ZINC001457944960 1066945035 /nfs/dbraw/zinc/94/50/35/1066945035.db2.gz APOFFIADNIBYGP-NRFANRHFSA-N 0 1 456.608 4.989 20 0 JJADMN Cc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)N(C)C ZINC001492775968 1066946504 /nfs/dbraw/zinc/94/65/04/1066946504.db2.gz NLNBNWSPOCDNOG-MOPGFXCFSA-N 0 1 466.424 4.860 20 0 JJADMN Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CC1(CN2CCOCC2)CCCCC1 ZINC001492780453 1066947590 /nfs/dbraw/zinc/94/75/90/1066947590.db2.gz OPIICXOQQWTZMG-UHFFFAOYSA-N 0 1 483.554 4.664 20 0 JJADMN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC001448680192 1066950015 /nfs/dbraw/zinc/95/00/15/1066950015.db2.gz RXAODTQGFZKNGN-UHFFFAOYSA-N 0 1 455.339 4.720 20 0 JJADMN Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@H](c1ccsc1)N(C)C ZINC001492795387 1066950984 /nfs/dbraw/zinc/95/09/84/1066950984.db2.gz VLSNXLBRCLLIOF-JLTOFOAXSA-N 0 1 460.445 4.837 20 0 JJADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)NCCN1CC=CCC1 ZINC001448783420 1066957622 /nfs/dbraw/zinc/95/76/22/1066957622.db2.gz ILKXMEMUUXVSGE-XPNTWCBSSA-N 0 1 458.668 4.774 20 0 JJADMN CC[C@@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H](c1ccsc1)N(C)C)c1ccccc1 ZINC001545726484 1066983422 /nfs/dbraw/zinc/98/34/22/1066983422.db2.gz QUUXWBLSODFVOU-DNVJHFABSA-N 0 1 453.656 4.800 20 0 JJADMN Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cnn1C ZINC001545727121 1066984217 /nfs/dbraw/zinc/98/42/17/1066984217.db2.gz GFTRWNWSYKCVMJ-UHFFFAOYSA-N 0 1 454.596 4.696 20 0 JJADMN O=C(Cc1cn2ccccc2n1)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC001449128656 1066984539 /nfs/dbraw/zinc/98/45/39/1066984539.db2.gz FGQUCOPABMSVCY-UHFFFAOYSA-N 0 1 455.301 4.780 20 0 JJADMN O=C(Nc1cc(F)c(Br)c(Cl)c1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC001449168765 1066987095 /nfs/dbraw/zinc/98/70/95/1066987095.db2.gz OPFZHRUGYVVGPE-UHFFFAOYSA-N 0 1 452.667 4.655 20 0 JJADMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cc(F)c(F)cc1Br ZINC001458157281 1066991857 /nfs/dbraw/zinc/99/18/57/1066991857.db2.gz KDEDVYQBWCFHJE-UHFFFAOYSA-N 0 1 455.280 4.504 20 0 JJADMN O=C(c1cccc(I)c1O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001449295708 1066996295 /nfs/dbraw/zinc/99/62/95/1066996295.db2.gz JRWCJHQELVJBBJ-KRWDZBQOSA-N 0 1 457.258 4.699 20 0 JJADMN CN(Cc1ccccc1)C1CN(C(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001449333649 1067000928 /nfs/dbraw/zinc/00/09/28/1067000928.db2.gz UNORVMQNGYTMIN-QHCPKHFHSA-N 0 1 455.643 4.537 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)[nH]n2)c1C ZINC001449359018 1067003601 /nfs/dbraw/zinc/00/36/01/1067003601.db2.gz WKLLUBJTYSFWOM-AWEZNQCLSA-N 0 1 455.534 4.810 20 0 JJADMN O=C(/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001449361583 1067004019 /nfs/dbraw/zinc/00/40/19/1067004019.db2.gz LDDYBDBLLQYBGK-BQMBHYSLSA-N 0 1 456.533 4.542 20 0 JJADMN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001449361589 1067004146 /nfs/dbraw/zinc/00/41/46/1067004146.db2.gz LDDYBDBLLQYBGK-KZTRRMFKSA-N 0 1 456.533 4.542 20 0 JJADMN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001449366347 1067004820 /nfs/dbraw/zinc/00/48/20/1067004820.db2.gz YMAZSAZFPYPBKB-QGZVFWFLSA-N 0 1 450.366 4.508 20 0 JJADMN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001449375115 1067005359 /nfs/dbraw/zinc/00/53/59/1067005359.db2.gz RJMBPGJBGUFARG-FQEVSTJZSA-N 0 1 456.455 4.744 20 0 JJADMN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)C1CCCC1 ZINC001449448035 1067009523 /nfs/dbraw/zinc/00/95/23/1067009523.db2.gz PGWCEBRBUUBPTN-LJQANCHMSA-N 0 1 450.988 4.848 20 0 JJADMN O=C(NC[C@@H](c1nc[nH]n1)c1ccccc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001449461847 1067009911 /nfs/dbraw/zinc/00/99/11/1067009911.db2.gz UJSXVQQWDRSXKB-QGZVFWFLSA-N 0 1 458.465 4.994 20 0 JJADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC001449493253 1067012090 /nfs/dbraw/zinc/01/20/90/1067012090.db2.gz JFVSTPGZTRFSFO-UHFFFAOYSA-N 0 1 455.356 4.545 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 ZINC001449574033 1067015247 /nfs/dbraw/zinc/01/52/47/1067015247.db2.gz CJMBRMHJYAFRNG-GOTSBHOMSA-N 0 1 457.659 4.954 20 0 JJADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)c(C)n1CC1CC1 ZINC001449602233 1067017398 /nfs/dbraw/zinc/01/73/98/1067017398.db2.gz RDWHEAYLKYMUMI-INIZCTEOSA-N 0 1 459.432 4.670 20 0 JJADMN CC[C@H](c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545753939 1067029823 /nfs/dbraw/zinc/02/98/23/1067029823.db2.gz BDMPJSSRLGPYBB-IRLDBZIGSA-N 0 1 479.591 4.711 20 0 JJADMN CC[C@H](c1nnc(N2CCN(C(C)C)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756168 1067032849 /nfs/dbraw/zinc/03/28/49/1067032849.db2.gz BVLARBUGOKJNGS-GGAORHGYSA-N 0 1 484.689 4.511 20 0 JJADMN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)CC1 ZINC001449904730 1067036157 /nfs/dbraw/zinc/03/61/57/1067036157.db2.gz ZHLDZZDGBKZMQD-UHFFFAOYSA-N 0 1 450.558 4.952 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758496 1067038486 /nfs/dbraw/zinc/03/84/86/1067038486.db2.gz IEYYSQXJUABSBW-CNXCYTMISA-N 0 1 483.701 4.571 20 0 JJADMN CCOc1nc2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)ccc2o1 ZINC001449953547 1067038718 /nfs/dbraw/zinc/03/87/18/1067038718.db2.gz QISMGZVGRANUTL-UHFFFAOYSA-N 0 1 451.504 4.588 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758596 1067039138 /nfs/dbraw/zinc/03/91/38/1067039138.db2.gz JKAYLJAHEYWMBS-PXDATVDWSA-N 0 1 463.674 4.560 20 0 JJADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001449979889 1067039602 /nfs/dbraw/zinc/03/96/02/1067039602.db2.gz NXWYUIANJRUMQL-GLFIFPSUSA-N 0 1 459.937 4.602 20 0 JJADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001449987740 1067040305 /nfs/dbraw/zinc/04/03/05/1067040305.db2.gz WKYAEUPAFLPJOX-GFCCVEGCSA-N 0 1 458.747 4.998 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759250 1067041543 /nfs/dbraw/zinc/04/15/43/1067041543.db2.gz VDOUSNLLYCNTHG-ISKFKSNPSA-N 0 1 453.675 4.947 20 0 JJADMN COc1ccc(-c2n[nH]c(Sc3cc(Br)cc(C)n3)n2)cc1Br ZINC001458361387 1067042026 /nfs/dbraw/zinc/04/20/26/1067042026.db2.gz CIMXYVYZVRJMSS-UHFFFAOYSA-N 0 1 456.163 4.860 20 0 JJADMN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001546019109 1067044819 /nfs/dbraw/zinc/04/48/19/1067044819.db2.gz OLDSVRWKZSVYKY-NZRJUOQRSA-N 0 1 487.664 4.724 20 0 JJADMN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001450123321 1067051283 /nfs/dbraw/zinc/05/12/83/1067051283.db2.gz YUVAASYPNPFGOU-QHCPKHFHSA-N 0 1 450.558 4.681 20 0 JJADMN Cc1ccoc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001450211551 1067060107 /nfs/dbraw/zinc/06/01/07/1067060107.db2.gz RWAYYCJZBGELHF-UHFFFAOYSA-N 0 1 453.347 4.968 20 0 JJADMN CCC(CC)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@H](C)C1)SC 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ULKGZWCLATWSJC-NRFANRHFSA-N 0 1 475.678 4.555 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCC(OCc4ccccc4F)CC3)n[nH]2)c1C ZINC001545792312 1067089825 /nfs/dbraw/zinc/08/98/25/1067089825.db2.gz WCSFGUFBQLUZDY-UHFFFAOYSA-N 0 1 453.562 4.651 20 0 JJADMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001450601405 1067093882 /nfs/dbraw/zinc/09/38/82/1067093882.db2.gz VDKYDQVTIQUDDL-LJQANCHMSA-N 0 1 459.656 4.571 20 0 JJADMN O=C(Nc1cccc(Cl)c1OCC(F)F)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC001450615307 1067095944 /nfs/dbraw/zinc/09/59/44/1067095944.db2.gz XRNHEANDRMLXLB-UHFFFAOYSA-N 0 1 457.658 4.840 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C4CC4)ccn3)ccc2OC)cc1 ZINC001450624695 1067097109 /nfs/dbraw/zinc/09/71/09/1067097109.db2.gz GIUIVCUZGJTVSK-UHFFFAOYSA-N 0 1 451.548 4.583 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@H](C)C1)N1CCOCC1 ZINC001545805256 1067118807 /nfs/dbraw/zinc/11/88/07/1067118807.db2.gz KBUYYXHKRLOIFW-UZINWLIJSA-N 0 1 499.700 4.582 20 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CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)N1CCOCC1 ZINC001545805913 1067121654 /nfs/dbraw/zinc/12/16/54/1067121654.db2.gz UVGLJXQSQZHSSW-HOYKHHGWSA-N 0 1 475.628 4.940 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1)N1CCOCC1 ZINC001545808295 1067132999 /nfs/dbraw/zinc/13/29/99/1067132999.db2.gz WGPJIZRCUKTXLH-QPPBQGQZSA-N 0 1 499.700 4.726 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(F)(F)C1)N1CCOCC1 ZINC001545808291 1067133014 /nfs/dbraw/zinc/13/30/14/1067133014.db2.gz WFZQIQLIBTURPO-FQEVSTJZSA-N 0 1 498.018 4.590 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)N1CCOCC1 ZINC001545810195 1067137451 /nfs/dbraw/zinc/13/74/51/1067137451.db2.gz RLPQBEMVDORNOS-UUOWRZLLSA-N 0 1 486.611 4.886 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](C)C1)N1CCOCC1 ZINC001545809995 1067137514 /nfs/dbraw/zinc/13/75/14/1067137514.db2.gz OILBZTKHUMDFMP-LGVFNWMJSA-N 0 1 469.674 4.573 20 0 JJADMN 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CCC(CC)[C@H](Cn1c(N(C)[C@H]2CCc3ccccc32)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819356 1067154249 /nfs/dbraw/zinc/15/42/49/1067154249.db2.gz DNHGLBDZVBQJJG-ZEQRLZLVSA-N 0 1 453.675 4.836 20 0 JJADMN COc1ccc(-c2n[nH]c(SCc3noc(Cc4ccc(Br)cc4)n3)n2)cc1 ZINC001458823387 1067157115 /nfs/dbraw/zinc/15/71/15/1067157115.db2.gz CAHCGKPCOUDVGM-UHFFFAOYSA-N 0 1 458.341 4.509 20 0 JJADMN CCC(CC)[C@H](Cn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545820190 1067158048 /nfs/dbraw/zinc/15/80/48/1067158048.db2.gz SEDKGZCGNDXTSJ-VWNXMTODSA-N 0 1 483.701 4.715 20 0 JJADMN CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C)C1)N1CCOCC1 ZINC001545820428 1067159310 /nfs/dbraw/zinc/15/93/10/1067159310.db2.gz XERLTWALTXLCJY-RLWLMLJZSA-N 0 1 483.701 4.847 20 0 JJADMN CC(C)([C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458838924 1067166242 /nfs/dbraw/zinc/16/62/42/1067166242.db2.gz UQSIDAREIZNYAZ-QPPBQGQZSA-N 0 1 458.549 4.868 20 0 JJADMN CC(C)([C@@H](NC(=O)c1nc(F)ccc1Br)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458841205 1067167593 /nfs/dbraw/zinc/16/75/93/1067167593.db2.gz YDYKWLVPNVDEPL-SFHVURJKSA-N 0 1 456.306 4.607 20 0 JJADMN CCOC(=O)c1c(C)[nH]nc1CSc1nnc(Nc2cccc(Br)c2)s1 ZINC001458874389 1067182569 /nfs/dbraw/zinc/18/25/69/1067182569.db2.gz ROOUUCMDPWTTIB-UHFFFAOYSA-N 0 1 454.375 4.545 20 0 JJADMN CCc1cccc(CC)c1Nc1nnc(SCC2=Nc3ccccc3S(=O)(=O)N2)s1 ZINC001458885074 1067186085 /nfs/dbraw/zinc/18/60/85/1067186085.db2.gz WXXFHTBSGIMMMJ-UHFFFAOYSA-N 0 1 459.622 4.521 20 0 JJADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC001458903680 1067191314 /nfs/dbraw/zinc/19/13/14/1067191314.db2.gz NUKHERQDHIGBQN-XMXAVACDSA-N 0 1 456.593 4.895 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)CC1 ZINC001451920384 1067198778 /nfs/dbraw/zinc/19/87/78/1067198778.db2.gz NRXHKSVEMULNOH-PLMTUMEDSA-N 0 1 458.990 4.621 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001545848669 1067200352 /nfs/dbraw/zinc/20/03/52/1067200352.db2.gz DRVIMOXNDDUHTG-IODBPXAYSA-N 0 1 496.700 4.523 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001545848671 1067200538 /nfs/dbraw/zinc/20/05/38/1067200538.db2.gz DRVIMOXNDDUHTG-KMAVCZJNSA-N 0 1 496.700 4.523 20 0 JJADMN Cc1cc2[nH]nc(NC(=O)[C@H](Sc3ccc(F)c(Cl)c3)c3ccccc3)c2c(=O)n1C ZINC001452045536 1067205379 /nfs/dbraw/zinc/20/53/79/1067205379.db2.gz VOMCRXILDICUJF-LJQANCHMSA-N 0 1 456.930 4.835 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@]3(C)Cc3cccc(F)c3)[nH]n2)C1 ZINC001452094287 1067207215 /nfs/dbraw/zinc/20/72/15/1067207215.db2.gz UYEVAGWMAOYVEM-AVRWGWEMSA-N 0 1 456.562 4.511 20 0 JJADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)[nH]1 ZINC001458955852 1067207989 /nfs/dbraw/zinc/20/79/89/1067207989.db2.gz RRAUZMRDMNUUCN-UHFFFAOYSA-N 0 1 453.543 4.820 20 0 JJADMN COc1cc(NC(=O)CCSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c(OC)cc1Cl ZINC001458965848 1067212003 /nfs/dbraw/zinc/21/20/03/1067212003.db2.gz XVNOEFJCLPKMOW-UHFFFAOYSA-N 0 1 458.971 4.752 20 0 JJADMN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC001452414267 1067222382 /nfs/dbraw/zinc/22/23/82/1067222382.db2.gz OJHISKOBQPODPQ-UHFFFAOYSA-N 0 1 457.357 4.565 20 0 JJADMN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC001452521226 1067231177 /nfs/dbraw/zinc/23/11/77/1067231177.db2.gz UEKRRGONQVFKIK-XPTSAGLGSA-N 0 1 464.271 4.628 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CN(C)C(=O)c3ccc(OCc4ccncc4)cc3)cc2)C[C@H](C)O1 ZINC001452689229 1067243848 /nfs/dbraw/zinc/24/38/48/1067243848.db2.gz XUMVPBOLTWTPJP-SZPZYZBQSA-N 0 1 459.590 4.542 20 0 JJADMN Cc1ccc(Br)c(C)c1C(=O)N(C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001452689834 1067244408 /nfs/dbraw/zinc/24/44/08/1067244408.db2.gz IDRRAWRDLKQJEN-HDICACEKSA-N 0 1 459.428 4.947 20 0 JJADMN COc1cc(C(=O)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc(OC)c1C(C)C ZINC001452692521 1067245084 /nfs/dbraw/zinc/24/50/84/1067245084.db2.gz UATIAJWJIWPFLR-BGYRXZFFSA-N 0 1 454.611 4.709 20 0 JJADMN CCC1(CC)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546105880 1067245888 /nfs/dbraw/zinc/24/58/88/1067245888.db2.gz AEPJZGSCNCZRPJ-KDURUIRLSA-N 0 1 475.081 4.898 20 0 JJADMN CC(C)c1nc(CC2CCN(C(=O)[C@@H](C)Sc3ccc(Br)cc3)CC2)n[nH]1 ZINC001452742042 1067248072 /nfs/dbraw/zinc/24/80/72/1067248072.db2.gz YTSXQVHOZJAWDQ-CQSZACIVSA-N 0 1 451.434 4.653 20 0 JJADMN CC(C)c1nnc(CC2CCN(C(=O)[C@@H](C)Sc3ccc(Br)cc3)CC2)[nH]1 ZINC001452742042 1067248079 /nfs/dbraw/zinc/24/80/79/1067248079.db2.gz YTSXQVHOZJAWDQ-CQSZACIVSA-N 0 1 451.434 4.653 20 0 JJADMN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@H]3C)c2)n1 ZINC001452768028 1067250267 /nfs/dbraw/zinc/25/02/67/1067250267.db2.gz HHTOXNDSSBQGIL-PWRODBHTSA-N 0 1 459.594 4.666 20 0 JJADMN CCc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)c1 ZINC001452771430 1067250907 /nfs/dbraw/zinc/25/09/07/1067250907.db2.gz BXRCHWJYIQAGBC-UHFFFAOYSA-N 0 1 458.967 4.642 20 0 JJADMN CC[N@H+](CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C1CCCCC1 ZINC001452893662 1067260262 /nfs/dbraw/zinc/26/02/62/1067260262.db2.gz KRBXMRWLYOAQBU-UHFFFAOYSA-N 0 1 457.640 4.570 20 0 JJADMN CC[N@@H+](CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C1CCCCC1 ZINC001452893662 1067260269 /nfs/dbraw/zinc/26/02/69/1067260269.db2.gz KRBXMRWLYOAQBU-UHFFFAOYSA-N 0 1 457.640 4.570 20 0 JJADMN COc1ccc([C@@H]2CCN(C(=O)/C=C\C3CCCCCC3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001452961648 1067268134 /nfs/dbraw/zinc/26/81/34/1067268134.db2.gz RKJLPSVLMMOTHL-HWJGFJICSA-N 0 1 470.507 4.724 20 0 JJADMN C/C(=C/C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1Cl ZINC001453120762 1067280780 /nfs/dbraw/zinc/28/07/80/1067280780.db2.gz DIIPXEPFPFXOQO-MAODKAAYSA-N 0 1 468.878 4.946 20 0 JJADMN C[C@H](CSc1ccccc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001453133951 1067282663 /nfs/dbraw/zinc/28/26/63/1067282663.db2.gz UROSHUQFSCLLEG-XPGWFJOJSA-N 0 1 468.516 4.617 20 0 JJADMN C[C@H]1CCc2c(sc3nc(CCN(C)Cc4cc(Br)cs4)nc(N)c23)C1 ZINC001459307839 1067289881 /nfs/dbraw/zinc/28/98/81/1067289881.db2.gz GRMDJZPJTYLWAK-NSHDSACASA-N 0 1 451.459 4.897 20 0 JJADMN O=C(CN1CCC(CCc2ccc(O)cc2)CC1)NCc1ccc(COc2ccccc2)cc1 ZINC001459309996 1067290515 /nfs/dbraw/zinc/29/05/15/1067290515.db2.gz GGGATUDSBHSENQ-UHFFFAOYSA-N 0 1 458.602 4.932 20 0 JJADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C ZINC001453269327 1067293214 /nfs/dbraw/zinc/29/32/14/1067293214.db2.gz PKFKXFUQFCOANT-QGZVFWFLSA-N 0 1 454.493 4.576 20 0 JJADMN COc1ccc(CN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C)C2CC2)cc1 ZINC001459355670 1067302144 /nfs/dbraw/zinc/30/21/44/1067302144.db2.gz YDDCKXZZKWXRBD-CYBMUJFWSA-N 0 1 453.327 4.975 20 0 JJADMN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)c3cc(-c4cccs4)n[nH]3)cc2)C1 ZINC001453396687 1067303669 /nfs/dbraw/zinc/30/36/69/1067303669.db2.gz HNVXMUXHZZUXAE-IBGZPJMESA-N 0 1 454.552 4.699 20 0 JJADMN C[C@H]1N(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2C1(C)C ZINC001453435378 1067305691 /nfs/dbraw/zinc/30/56/91/1067305691.db2.gz BXVWTXAVRJYWCZ-DENIHFKCSA-N 0 1 451.611 4.725 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@H](c4cccc(F)c4)OCC3(C)C)n[nH]2)c1C ZINC001453480008 1067308235 /nfs/dbraw/zinc/30/82/35/1067308235.db2.gz RWYOZAGCTHEZAQ-IVZQSRNASA-N 0 1 453.562 4.992 20 0 JJADMN Cc1sc2ncnc(SCC(=O)N3CCN(Cc4ccccc4)[C@@H](C(C)C)C3)c2c1C ZINC001453493732 1067309223 /nfs/dbraw/zinc/30/92/23/1067309223.db2.gz GWMQMDXGOCRVCR-HXUWFJFHSA-N 0 1 454.665 4.769 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCOc2ccccc2Br)CC1 ZINC001459393667 1067311970 /nfs/dbraw/zinc/31/19/70/1067311970.db2.gz YDHFOHVWBMDSBS-IBGZPJMESA-N 0 1 453.421 4.939 20 0 JJADMN C[C@@H](C(=O)Nc1ccc(I)cc1)N(C)CCc1cccc2ccccc21 ZINC001459396668 1067312494 /nfs/dbraw/zinc/31/24/94/1067312494.db2.gz STNTYRMUCGSZRL-INIZCTEOSA-N 0 1 458.343 4.946 20 0 JJADMN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001459394898 1067312599 /nfs/dbraw/zinc/31/25/99/1067312599.db2.gz ZVSXOSJWKZXBKY-FDDCHVKYSA-N 0 1 452.599 4.673 20 0 JJADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398586 1067313056 /nfs/dbraw/zinc/31/30/56/1067313056.db2.gz WSNOJNFUPXCLAN-YRISNDGFSA-N 0 1 454.442 4.674 20 0 JJADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398580 1067313374 /nfs/dbraw/zinc/31/33/74/1067313374.db2.gz WSNOJNFUPXCLAN-CDXJDZJCSA-N 0 1 454.442 4.674 20 0 JJADMN O=C(CCc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453684405 1067321650 /nfs/dbraw/zinc/32/16/50/1067321650.db2.gz RFCKGRDTQDDRGH-IEBWSBKVSA-N 0 1 472.429 4.701 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546108783 1067323210 /nfs/dbraw/zinc/32/32/10/1067323210.db2.gz KWFVEVCGEQSDID-BGYRXZFFSA-N 0 1 475.628 4.663 20 0 JJADMN CC(C)c1ccc(OCCNC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC001459442370 1067325331 /nfs/dbraw/zinc/32/53/31/1067325331.db2.gz RMSIHEJFQZTVFQ-UHFFFAOYSA-N 0 1 452.595 4.869 20 0 JJADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC001459467072 1067331875 /nfs/dbraw/zinc/33/18/75/1067331875.db2.gz RQKZKQMDCJRMSI-NRFANRHFSA-N 0 1 457.659 4.630 20 0 JJADMN Cc1nc(CCCC(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)cnn2C(C)C)cs1 ZINC001453841647 1067331850 /nfs/dbraw/zinc/33/18/50/1067331850.db2.gz OBTGXOLZCNKRCR-UHFFFAOYSA-N 0 1 458.428 4.503 20 0 JJADMN COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1C(C)C ZINC001453840648 1067331930 /nfs/dbraw/zinc/33/19/30/1067331930.db2.gz MSMMLDRRVDJBSQ-QWHCGFSZSA-N 0 1 465.394 4.527 20 0 JJADMN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CCc1ccc(Br)cc1 ZINC001459471846 1067333770 /nfs/dbraw/zinc/33/37/70/1067333770.db2.gz XZMDUZFDLWYKOF-SECBINFHSA-N 0 1 451.233 4.646 20 0 JJADMN O=C(CCN1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)Nc1ccc(F)cc1 ZINC001459501513 1067339857 /nfs/dbraw/zinc/33/98/57/1067339857.db2.gz INDUQKUWRSAIQO-UHFFFAOYSA-N 0 1 451.517 4.695 20 0 JJADMN CO[C@]1(C)C[C@@H](N(C)CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554993 1067350331 /nfs/dbraw/zinc/35/03/31/1067350331.db2.gz BIIQKKQNURAQCK-AVHWCYKHSA-N 0 1 451.611 4.594 20 0 JJADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCc3cc(Cl)c4c(c3)OCCCO4)C2)cc1 ZINC001459661118 1067374561 /nfs/dbraw/zinc/37/45/61/1067374561.db2.gz DFOZFMGUISEQAM-FQEVSTJZSA-N 0 1 458.002 4.886 20 0 JJADMN CCO[C@@H]1C[C@H](N(C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664833 1067376268 /nfs/dbraw/zinc/37/62/68/1067376268.db2.gz BYFXCWWXEPROHU-ZWKOTPCHSA-N 0 1 452.336 4.726 20 0 JJADMN C[C@H](N[C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668604 1067378156 /nfs/dbraw/zinc/37/81/56/1067378156.db2.gz LMHNHUNRUGSEMH-PGRDOPGGSA-N 0 1 459.575 4.555 20 0 JJADMN COc1cc(NC2CCN(Cc3cncc(-c4cc(F)ccc4OC)c3)CC2)cc(OC)c1 ZINC001459705178 1067389047 /nfs/dbraw/zinc/38/90/47/1067389047.db2.gz POAMONBERAMWBT-UHFFFAOYSA-N 0 1 451.542 4.990 20 0 JJADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459708186 1067390264 /nfs/dbraw/zinc/39/02/64/1067390264.db2.gz PHCXMIJNGWKXNG-QGZVFWFLSA-N 0 1 458.528 4.588 20 0 JJADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(CCCO)C(c1ccccc1)c1ccccc1 ZINC001459720861 1067395653 /nfs/dbraw/zinc/39/56/53/1067395653.db2.gz JNXBEEKXBXNNRJ-HXUWFJFHSA-N 0 1 452.545 4.958 20 0 JJADMN COC(=O)Nc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)cc1 ZINC001459751358 1067406351 /nfs/dbraw/zinc/40/63/51/1067406351.db2.gz ZYHASFNRSSCJCC-AREMUKBSSA-N 0 1 457.574 4.979 20 0 JJADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2cc(OC)ncc2Br)[C@@H]2CCCC[C@H]12 ZINC001459758299 1067409932 /nfs/dbraw/zinc/40/99/32/1067409932.db2.gz YBXVDAKBOUOTCS-OPMKJXALSA-N 0 1 452.437 4.537 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H](N2CCC(OCc3ccccc3F)CC2)[C@H](O)c2ccccc21 ZINC001459771992 1067415647 /nfs/dbraw/zinc/41/56/47/1067415647.db2.gz BLMWRHTVWSEFTD-BJKOFHAPSA-N 0 1 456.558 4.664 20 0 JJADMN CCN(C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1nc2ccccc2s1 ZINC001459794239 1067426757 /nfs/dbraw/zinc/42/67/57/1067426757.db2.gz CYNWIEQXSGURQN-JWTNVVGKSA-N 0 1 458.628 4.512 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(SC(F)F)cc3)C[C@@H]21 ZINC001459805608 1067431313 /nfs/dbraw/zinc/43/13/13/1067431313.db2.gz OADSDJOCUTYCFX-FHLIZLRMSA-N 0 1 455.571 4.565 20 0 JJADMN CCC[C@H]1CN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCN1Cc1ccccc1 ZINC001459815867 1067436097 /nfs/dbraw/zinc/43/60/97/1067436097.db2.gz UUVYWFDPORNZII-UPVQGACJSA-N 0 1 457.565 4.770 20 0 JJADMN COC(=O)c1c(NC(=O)CN[C@@H](CC(C)C)c2ccccc2OC)sc2c1CC[C@H](C)C2 ZINC001459819905 1067438348 /nfs/dbraw/zinc/43/83/48/1067438348.db2.gz XEWXWLXPVSTKQC-LPHOPBHVSA-N 0 1 458.624 4.984 20 0 JJADMN Cc1cccc(COc2ccc([C@H](C)NCC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2)c1 ZINC001459823874 1067440289 /nfs/dbraw/zinc/44/02/89/1067440289.db2.gz FOYWYMWQJAIPEW-ZCYQVOJMSA-N 0 1 457.618 4.867 20 0 JJADMN COC(=O)c1cc(Br)c(CN[C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1OC ZINC001459836644 1067446996 /nfs/dbraw/zinc/44/69/96/1067446996.db2.gz AZPBPLWGIYMTTM-HXPMCKFVSA-N 0 1 456.764 4.764 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(OC(C)C)c(OC)c2)c(OC)c1 ZINC001459846329 1067452071 /nfs/dbraw/zinc/45/20/71/1067452071.db2.gz GTFGDNRULJZYNU-PGRDOPGGSA-N 0 1 456.583 4.514 20 0 JJADMN COc1ccc(C(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)c2ccc(OC)cc2)cc1 ZINC001459846981 1067452603 /nfs/dbraw/zinc/45/26/03/1067452603.db2.gz ARMHRLRGQFXZKK-UHFFFAOYSA-N 0 1 454.517 4.713 20 0 JJADMN CCCOc1ccc([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)cc1OC ZINC001459849282 1067454587 /nfs/dbraw/zinc/45/45/87/1067454587.db2.gz BNGBMBVLNRZSMU-WPSZSDGUSA-N 0 1 456.583 4.992 20 0 JJADMN COc1cc([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)ccc1OC(C)C ZINC001459853553 1067458373 /nfs/dbraw/zinc/45/83/73/1067458373.db2.gz PFBWPCOSXMXHSA-IQOKHDRSSA-N 0 1 456.583 4.990 20 0 JJADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)cc(Br)c2)cc1 ZINC001459863797 1067462471 /nfs/dbraw/zinc/46/24/71/1067462471.db2.gz KTWHSAAHAAUUCH-AWEZNQCLSA-N 0 1 459.837 4.984 20 0 JJADMN C[C@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC001459868911 1067465749 /nfs/dbraw/zinc/46/57/49/1067465749.db2.gz QUZWUEDETYCYDM-KRWDZBQOSA-N 0 1 451.954 4.694 20 0 JJADMN C[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC001459869418 1067466329 /nfs/dbraw/zinc/46/63/29/1067466329.db2.gz UARKWELHJYCQFH-CVEARBPZSA-N 0 1 452.555 4.754 20 0 JJADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N(C)CCc1ccc(Cl)cc1 ZINC001459875278 1067469410 /nfs/dbraw/zinc/46/94/10/1067469410.db2.gz RZBIJPCVPOUGCH-OAHLLOKOSA-N 0 1 458.908 4.886 20 0 JJADMN CC[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894752 1067477260 /nfs/dbraw/zinc/47/72/60/1067477260.db2.gz XNNWKSGDEWZEFZ-UECWXEIQSA-N 0 1 457.659 4.756 20 0 JJADMN CCOc1cccc2cc([C@@H](C)NCC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901324 1067480361 /nfs/dbraw/zinc/48/03/61/1067480361.db2.gz NHAQWTHGVVWHRH-YLJYHZDGSA-N 0 1 452.551 4.863 20 0 JJADMN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459911585 1067486856 /nfs/dbraw/zinc/48/68/56/1067486856.db2.gz XKQZYTHOTOGZAF-IRLDBZIGSA-N 0 1 457.546 4.803 20 0 JJADMN CC(=O)NC1CCC(N(C)Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)CC1 ZINC001459940196 1067500276 /nfs/dbraw/zinc/50/02/76/1067500276.db2.gz ZFYKWKUSNQAEGU-UHFFFAOYSA-N 0 1 457.372 4.531 20 0 JJADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001459978263 1067513520 /nfs/dbraw/zinc/51/35/20/1067513520.db2.gz CVTZFERDLZWLPB-RDPSFJRHSA-N 0 1 459.428 4.978 20 0 JJADMN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001460020135 1067531071 /nfs/dbraw/zinc/53/10/71/1067531071.db2.gz UMFQPHDZNRWCLJ-QGZVFWFLSA-N 0 1 459.805 4.585 20 0 JJADMN O=C(CN1CCC(c2cccc(Br)c2)CC1)NCCc1nc2ccccc2s1 ZINC001460024698 1067532694 /nfs/dbraw/zinc/53/26/94/1067532694.db2.gz VQBHTGPSGMSQIK-UHFFFAOYSA-N 0 1 458.425 4.597 20 0 JJADMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC001460039212 1067536140 /nfs/dbraw/zinc/53/61/40/1067536140.db2.gz LVJOYNONEDHEHC-UHFFFAOYSA-N 0 1 455.436 4.678 20 0 JJADMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001460041503 1067537125 /nfs/dbraw/zinc/53/71/25/1067537125.db2.gz SGJBPPAAFRUFBA-HXUWFJFHSA-N 0 1 458.400 4.566 20 0 JJADMN CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCC(C)(C)C2)c(C(=O)OC(C)(C)C)c1C ZINC001460046157 1067538371 /nfs/dbraw/zinc/53/83/71/1067538371.db2.gz CSMGPHHFUNDHEW-HNNXBMFYSA-N 0 1 452.617 4.638 20 0 JJADMN CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCC(C)(C)C2)c(C(=O)OC(C)(C)C)c1C ZINC001460046160 1067538403 /nfs/dbraw/zinc/53/84/03/1067538403.db2.gz CSMGPHHFUNDHEW-OAHLLOKOSA-N 0 1 452.617 4.638 20 0 JJADMN OC1(c2ccccc2C(F)(F)F)CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC001460059837 1067541789 /nfs/dbraw/zinc/54/17/89/1067541789.db2.gz NMYTVYXANUOGSD-UHFFFAOYSA-N 0 1 454.290 4.828 20 0 JJADMN CCOc1cc(CN[C@H](C)c2ccc(Oc3cccnc3)cc2)nc2nc(C(F)(F)F)nn21 ZINC001460073315 1067546550 /nfs/dbraw/zinc/54/65/50/1067546550.db2.gz YMRIRSWUSCFNEF-CQSZACIVSA-N 0 1 458.444 4.580 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113829 1067557926 /nfs/dbraw/zinc/55/79/26/1067557926.db2.gz YXNNLOKBAJUCLC-RBUKOAKNSA-N 0 1 456.583 4.530 20 0 JJADMN CCc1cc2c(C[N@H+]3CCC[C@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113829 1067557932 /nfs/dbraw/zinc/55/79/32/1067557932.db2.gz YXNNLOKBAJUCLC-RBUKOAKNSA-N 0 1 456.583 4.530 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113835 1067557983 /nfs/dbraw/zinc/55/79/83/1067557983.db2.gz YXNNLOKBAJUCLC-RTBURBONSA-N 0 1 456.583 4.530 20 0 JJADMN CCc1cc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113835 1067557987 /nfs/dbraw/zinc/55/79/87/1067557987.db2.gz YXNNLOKBAJUCLC-RTBURBONSA-N 0 1 456.583 4.530 20 0 JJADMN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001460146303 1067564669 /nfs/dbraw/zinc/56/46/69/1067564669.db2.gz VYTVHCQSXMXWCL-UHFFFAOYSA-N 0 1 453.583 4.874 20 0 JJADMN Cc1cccc(Oc2ccc(NC(=O)CN[C@H](C)c3ccc(N4CCCNC4=O)cc3)cc2)c1 ZINC001460182483 1067573367 /nfs/dbraw/zinc/57/33/67/1067573367.db2.gz RKOLNFPMYZCVDJ-HXUWFJFHSA-N 0 1 458.562 4.996 20 0 JJADMN CC(C)(C)OC(=O)NCCC[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC001460183179 1067573474 /nfs/dbraw/zinc/57/34/74/1067573474.db2.gz DFESCTJFBHWKQK-HSZRJFAPSA-N 0 1 451.611 4.818 20 0 JJADMN O=C(CN1CCCc2c(Cl)cc(Cl)cc21)Nc1cccc(CN2CCSCC2)c1 ZINC001460200633 1067577975 /nfs/dbraw/zinc/57/79/75/1067577975.db2.gz KFFCZDIZXDRESH-UHFFFAOYSA-N 0 1 450.435 4.934 20 0 JJADMN C[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460206512 1067579044 /nfs/dbraw/zinc/57/90/44/1067579044.db2.gz SHNBTDXPWIJORQ-JTHBVZDNSA-N 0 1 451.611 4.703 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1c1ccc(F)cc1 ZINC001460207964 1067579297 /nfs/dbraw/zinc/57/92/97/1067579297.db2.gz NBOPTDLGHJAMQF-FCHUYYIVSA-N 0 1 477.527 4.815 20 0 JJADMN C[C@@H]1C[C@H](C)N(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269820 1067594344 /nfs/dbraw/zinc/59/43/44/1067594344.db2.gz HBQPFRUQHKDEFF-YGDRIEADSA-N 0 1 457.659 4.905 20 0 JJADMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274758 1067595726 /nfs/dbraw/zinc/59/57/26/1067595726.db2.gz YTSFCYXSQOLIIW-HOCLYGCPSA-N 0 1 457.571 4.733 20 0 JJADMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274758 1067595730 /nfs/dbraw/zinc/59/57/30/1067595730.db2.gz YTSFCYXSQOLIIW-HOCLYGCPSA-N 0 1 457.571 4.733 20 0 JJADMN COCc1cccc(CNC(=O)CNC2(c3ccc(C)cc3Br)CCCCC2)c1 ZINC001460282280 1067597836 /nfs/dbraw/zinc/59/78/36/1067597836.db2.gz DQROQIKHDCGMDW-UHFFFAOYSA-N 0 1 459.428 4.969 20 0 JJADMN COC(=O)[C@@H]1CN(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C[C@H]1c1ccc(O)cc1 ZINC001460306707 1067603833 /nfs/dbraw/zinc/60/38/33/1067603833.db2.gz HADHCLOLHJEOTR-ZWKOTPCHSA-N 0 1 464.415 4.594 20 0 JJADMN Cc1ccc(C(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)c(Br)n1 ZINC001460324259 1067608076 /nfs/dbraw/zinc/60/80/76/1067608076.db2.gz IQOJRXLFKUMVDM-NRFANRHFSA-N 0 1 458.444 4.958 20 0 JJADMN CC(C)c1ccc(CN2CCN(C(=O)CN3CCc4ccc(Cl)cc4[C@H](C)C3)CC2)cc1 ZINC001460335582 1067610989 /nfs/dbraw/zinc/61/09/89/1067610989.db2.gz HFZALTGLQREITP-OAQYLSRUSA-N 0 1 454.058 4.769 20 0 JJADMN O=C(c1ccc(Br)o1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001460353461 1067615359 /nfs/dbraw/zinc/61/53/59/1067615359.db2.gz ZITJZTQWJYOHBR-FQEVSTJZSA-N 0 1 454.368 4.744 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360600 1067617894 /nfs/dbraw/zinc/61/78/94/1067617894.db2.gz CWMKWJSCJYESRH-OPYAIIAOSA-N 0 1 459.562 4.765 20 0 JJADMN Clc1cc(N2CCN(Cc3cccc(CN4CCOCC4)c3)CC2)cc(Cl)c1Cl ZINC001460362312 1067618503 /nfs/dbraw/zinc/61/85/03/1067618503.db2.gz PWOHIZNHHHXXCW-UHFFFAOYSA-N 0 1 454.829 4.801 20 0 JJADMN CCc1ccc([C@H](NC(=O)CN2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@@H]32)c2cccs2)cc1 ZINC001460368417 1067620103 /nfs/dbraw/zinc/62/01/03/1067620103.db2.gz XXGSVCXIABOYNP-UEOMBKFZSA-N 0 1 454.636 4.570 20 0 JJADMN COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1C ZINC001460376248 1067621264 /nfs/dbraw/zinc/62/12/64/1067621264.db2.gz VHPFYGAZIWDTOB-QFIPXVFZSA-N 0 1 452.473 4.597 20 0 JJADMN C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@@]3(C)Cc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC001460404150 1067627663 /nfs/dbraw/zinc/62/76/63/1067627663.db2.gz NEGRECBEWPAIFM-KYTVRQNUSA-N 0 1 456.030 4.989 20 0 JJADMN Ic1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CCCCO4)C3)co2)cc1 ZINC001460452091 1067637065 /nfs/dbraw/zinc/63/70/65/1067637065.db2.gz KRTFPEDMQDZFDD-LPHOPBHVSA-N 0 1 452.336 4.727 20 0 JJADMN CCc1ccccc1Nc1nc(N)nc(CN2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC001460523557 1067649171 /nfs/dbraw/zinc/64/91/71/1067649171.db2.gz MZZGNEQDHWQMEY-UHFFFAOYSA-N 0 1 459.642 4.635 20 0 JJADMN Cc1ccc(Cl)c(OC[C@@H](O)CN2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1 ZINC001460536861 1067652507 /nfs/dbraw/zinc/65/25/07/1067652507.db2.gz AMGHCMUVVADNAE-IBGZPJMESA-N 0 1 457.977 4.797 20 0 JJADMN CCN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460538504 1067653272 /nfs/dbraw/zinc/65/32/72/1067653272.db2.gz NIXSDIVLIZXMDG-MAUKXSAKSA-N 0 1 452.348 4.615 20 0 JJADMN COC(=O)c1cccc(CN2CCC(c3nccc(-c4ccccc4OC)n3)CC2)c1Cl ZINC001460547004 1067654386 /nfs/dbraw/zinc/65/43/86/1067654386.db2.gz WJXMYSDBPXSDBM-UHFFFAOYSA-N 0 1 451.954 4.972 20 0 JJADMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H](C)c3ccc(C(C)C)cc3)cc2)n1 ZINC001460624367 1067676387 /nfs/dbraw/zinc/67/63/87/1067676387.db2.gz DKDDTOXTNDPXQH-QGZVFWFLSA-N 0 1 452.580 4.842 20 0 JJADMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC001460628166 1067677970 /nfs/dbraw/zinc/67/79/70/1067677970.db2.gz ZQZVCTQULRQYIP-RSXGOPAZSA-N 0 1 477.992 4.637 20 0 JJADMN CC(C)(C)c1csc(CC2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)n1 ZINC001460630452 1067678429 /nfs/dbraw/zinc/67/84/29/1067678429.db2.gz JJZASUVYEZEKBE-UHFFFAOYSA-N 0 1 451.636 4.984 20 0 JJADMN C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1CC(=O)NCCOc1cccc(F)c1 ZINC001460642065 1067682827 /nfs/dbraw/zinc/68/28/27/1067682827.db2.gz BTHPMPJZHMLBMZ-QFIPXVFZSA-N 0 1 456.455 4.576 20 0 JJADMN CN(C)S(=O)(=O)c1ccc(CN2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)s1 ZINC001460658994 1067691536 /nfs/dbraw/zinc/69/15/36/1067691536.db2.gz GNCBVKPORZGDJA-FQEVSTJZSA-N 0 1 456.633 4.998 20 0 JJADMN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(Cc1ccc(SC)c(OC)c1)C(C)C ZINC001460713434 1067706906 /nfs/dbraw/zinc/70/69/06/1067706906.db2.gz OSHGDCAAPCYEME-HNNXBMFYSA-N 0 1 450.626 4.811 20 0 JJADMN CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 ZINC001460717481 1067708157 /nfs/dbraw/zinc/70/81/57/1067708157.db2.gz TYXFBOUXDHKRKQ-UHFFFAOYSA-N 0 1 451.901 4.563 20 0 JJADMN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1Cl ZINC001460730552 1067711249 /nfs/dbraw/zinc/71/12/49/1067711249.db2.gz RBAJIMDQHYBCSZ-KRWDZBQOSA-N 0 1 452.363 4.641 20 0 JJADMN C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)CCCCCCNC(=O)OC(C)(C)C ZINC001460739940 1067712903 /nfs/dbraw/zinc/71/29/03/1067712903.db2.gz CCNUEWCHHASASI-INIZCTEOSA-N 0 1 456.425 4.793 20 0 JJADMN O[C@H](COc1ccc(Cl)cc1Br)CN1Cc2ccccc2OC2(CCC2)C1 ZINC001460749991 1067715731 /nfs/dbraw/zinc/71/57/31/1067715731.db2.gz VWTUFJUMLNPFIL-KRWDZBQOSA-N 0 1 452.776 4.660 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](C[C@@H](O)c1ccccc1Br)C2 ZINC001460777567 1067721438 /nfs/dbraw/zinc/72/14/38/1067721438.db2.gz GKAUGMOXKYTUHF-DENIHFKCSA-N 0 1 453.421 4.596 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C[C@@H](O)c1ccccc1Br)C2 ZINC001460777567 1067721451 /nfs/dbraw/zinc/72/14/51/1067721451.db2.gz GKAUGMOXKYTUHF-DENIHFKCSA-N 0 1 453.421 4.596 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779782 1067722178 /nfs/dbraw/zinc/72/21/78/1067722178.db2.gz YTXIAMSDZBSCCE-ISCCLHIJSA-N 0 1 455.643 4.856 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779782 1067722187 /nfs/dbraw/zinc/72/21/87/1067722187.db2.gz YTXIAMSDZBSCCE-ISCCLHIJSA-N 0 1 455.643 4.856 20 0 JJADMN COc1ccc(CCNC(=O)[C@H](C)N[C@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801822 1067726982 /nfs/dbraw/zinc/72/69/82/1067726982.db2.gz BCSOXUWRBLHFRG-CABCVRRESA-N 0 1 456.530 4.714 20 0 JJADMN CN(Cc1ccccc1Oc1ccc(Br)cc1F)CC1CCS(=O)(=O)CC1 ZINC001460803281 1067727157 /nfs/dbraw/zinc/72/71/57/1067727157.db2.gz WCHZYMKFKMIJTD-UHFFFAOYSA-N 0 1 456.377 4.637 20 0 JJADMN Cc1cc(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)cc(F)c1Br ZINC001460876895 1067740387 /nfs/dbraw/zinc/74/03/87/1067740387.db2.gz XFSXIDKXUXNPDX-UHFFFAOYSA-N 0 1 451.317 4.674 20 0 JJADMN C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001460878916 1067740933 /nfs/dbraw/zinc/74/09/33/1067740933.db2.gz HQQJGBBCZMEFGO-CLCXKQKWSA-N 0 1 456.414 4.581 20 0 JJADMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@H](c2ncccc2C)C(C)(C)C)cc1 ZINC001460911231 1067746680 /nfs/dbraw/zinc/74/66/80/1067746680.db2.gz UPIPZYCSVJFERZ-AREMUKBSSA-N 0 1 458.606 4.944 20 0 JJADMN COCC[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c2ccccc21 ZINC001460949020 1067752390 /nfs/dbraw/zinc/75/23/90/1067752390.db2.gz GZUAKOFTHQCRRR-CJFMBICVSA-N 0 1 456.030 4.624 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@]12CN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1CCCC2 ZINC001460970058 1067754744 /nfs/dbraw/zinc/75/47/44/1067754744.db2.gz GOKZMVCGFOAKRL-QRQCRPRQSA-N 0 1 456.414 4.949 20 0 JJADMN CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989519 1067758524 /nfs/dbraw/zinc/75/85/24/1067758524.db2.gz WWIDBGXIGHBQJW-DOTOQJQBSA-N 0 1 458.430 4.892 20 0 JJADMN Cc1ccc(-c2csc(NC(=O)CN[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)n2)cc1 ZINC001460990340 1067758960 /nfs/dbraw/zinc/75/89/60/1067758960.db2.gz YZXOAMRQCOUESF-DVECYGJZSA-N 0 1 456.612 4.579 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CC2(CCN(CC3(Br)CC3)CC2)Oc2ccccc21 ZINC001460996416 1067759735 /nfs/dbraw/zinc/75/97/35/1067759735.db2.gz ZIYHBBISTQHEIU-QGZVFWFLSA-N 0 1 451.405 4.797 20 0 JJADMN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3ccc(-c4ccncc4)cc3F)cc2)C1 ZINC001461061270 1067773133 /nfs/dbraw/zinc/77/31/33/1067773133.db2.gz FMKPFTCXYUUIIZ-LJQANCHMSA-N 0 1 453.583 4.598 20 0 JJADMN O=C(Nc1cccc(CNCc2cnc3ccc(Br)cn23)c1)c1cccc(F)c1 ZINC001461087715 1067779466 /nfs/dbraw/zinc/77/94/66/1067779466.db2.gz FUOFCFIQXJZULE-UHFFFAOYSA-N 0 1 453.315 4.778 20 0 JJADMN Cc1nn(-c2cccc(Br)c2)cc1CNCc1ccc(-n2ccnc2C)c(F)c1 ZINC001461097157 1067781345 /nfs/dbraw/zinc/78/13/45/1067781345.db2.gz CVJMYDHFQWUYRW-UHFFFAOYSA-N 0 1 454.347 4.866 20 0 JJADMN CC(C)NS(=O)(=O)Cc1ccc(CNCc2cc(Cl)c(OC(C)C)cc2Cl)cc1 ZINC001461105483 1067782656 /nfs/dbraw/zinc/78/26/56/1067782656.db2.gz PVOLJVDZHWBPAD-UHFFFAOYSA-N 0 1 459.439 4.898 20 0 JJADMN Cn1nc(Br)cc1CNCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC001461138013 1067787859 /nfs/dbraw/zinc/78/78/59/1067787859.db2.gz IIZALBBCJZODIZ-UHFFFAOYSA-N 0 1 450.764 4.584 20 0 JJADMN CC[C@H](C)[C@@H](NCc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181115 1067793810 /nfs/dbraw/zinc/79/38/10/1067793810.db2.gz JVJPOIPMWSYHSB-FDDCHVKYSA-N 0 1 458.444 4.830 20 0 JJADMN CC[C@@H](C)[C@H](NCc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181118 1067793962 /nfs/dbraw/zinc/79/39/62/1067793962.db2.gz JVJPOIPMWSYHSB-JPYJTQIMSA-N 0 1 458.444 4.830 20 0 JJADMN CC[C@@H](C)[C@@H](NCc1ccc(Br)nc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001461181124 1067794048 /nfs/dbraw/zinc/79/40/48/1067794048.db2.gz JVJPOIPMWSYHSB-WZONZLPQSA-N 0 1 458.444 4.830 20 0 JJADMN NS(=O)(=O)c1cc(CNCc2ccccc2COc2ccccc2Cl)ccc1Cl ZINC001461203514 1067798676 /nfs/dbraw/zinc/79/86/76/1067798676.db2.gz RWXPHYCZDHDQJZ-UHFFFAOYSA-N 0 1 451.375 4.510 20 0 JJADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2csc(-c3ccsc3)n2)CC1 ZINC001461219798 1067802035 /nfs/dbraw/zinc/80/20/35/1067802035.db2.gz CCPQHEOGDCLVMT-UHFFFAOYSA-N 0 1 452.571 4.932 20 0 JJADMN CCCSc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001461234053 1067805919 /nfs/dbraw/zinc/80/59/19/1067805919.db2.gz QIMGNSCUIPXHIG-NRFANRHFSA-N 0 1 455.649 4.708 20 0 JJADMN C[C@@]1(NC(=O)c2cnc(-c3ccccc3Br)s2)CCN(Cc2ccccc2)C1 ZINC001461276289 1067816371 /nfs/dbraw/zinc/81/63/71/1067816371.db2.gz ZWYWKAOFLSYRKV-JOCHJYFZSA-N 0 1 456.409 4.967 20 0 JJADMN O=C(N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326395 1067829094 /nfs/dbraw/zinc/82/90/94/1067829094.db2.gz AGVFAPBRFLQQTN-PMACEKPBSA-N 0 1 455.332 4.587 20 0 JJADMN CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001461327303 1067829486 /nfs/dbraw/zinc/82/94/86/1067829486.db2.gz DUZPZKKMSIDFRY-IZZNHLLZSA-N 0 1 450.623 4.512 20 0 JJADMN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1ccc(C)cc1O[C@H]1CCOC1 ZINC001461339219 1067832954 /nfs/dbraw/zinc/83/29/54/1067832954.db2.gz HRPMROFPEQPNLM-QFIPXVFZSA-N 0 1 456.384 4.709 20 0 JJADMN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC001461339216 1067832976 /nfs/dbraw/zinc/83/29/76/1067832976.db2.gz HRPMROFPEQPNLM-JOCHJYFZSA-N 0 1 456.384 4.709 20 0 JJADMN COc1cc(Br)c(CNCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001461379078 1067842373 /nfs/dbraw/zinc/84/23/73/1067842373.db2.gz LWDVXYVBXAFVKC-UHFFFAOYSA-N 0 1 457.409 4.593 20 0 JJADMN COC(OC)c1ccc(F)c(CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001461381699 1067842901 /nfs/dbraw/zinc/84/29/01/1067842901.db2.gz XSOBFUJPUAPJQF-IFMALSPDSA-N 0 1 452.929 4.750 20 0 JJADMN COc1cc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)ccc1OCc1c(C)noc1C ZINC001461405075 1067847584 /nfs/dbraw/zinc/84/75/84/1067847584.db2.gz AMAFKLRITCGGCL-FQEVSTJZSA-N 0 1 450.457 4.721 20 0 JJADMN Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001461421097 1067852748 /nfs/dbraw/zinc/85/27/48/1067852748.db2.gz UYSWKHACEGAVQJ-WMZOPIPTSA-N 0 1 466.406 4.696 20 0 JJADMN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC001461422091 1067853096 /nfs/dbraw/zinc/85/30/96/1067853096.db2.gz YFUNJVSWCISWTM-HOTGVXAUSA-N 0 1 456.505 4.862 20 0 JJADMN COc1cc(CNCc2ccc(-c3nc(C)no3)cc2)cc(Br)c1OC(F)F ZINC001461426032 1067853162 /nfs/dbraw/zinc/85/31/62/1067853162.db2.gz LMSRCURXFSSPBR-UHFFFAOYSA-N 0 1 454.271 4.707 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@H](NCc1nc(-c2cccc(Br)c2)c[nH]1)C(C)(C)C ZINC001461478953 1067869574 /nfs/dbraw/zinc/86/95/74/1067869574.db2.gz SLLLNDOQMWIVEN-QGZVFWFLSA-N 0 1 451.409 4.868 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1csc(-c2cccc(Br)c2)n1 ZINC001461537178 1067883929 /nfs/dbraw/zinc/88/39/29/1067883929.db2.gz HRZXZNIXZSVTIR-FVQHAEBGSA-N 0 1 450.402 4.528 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCN1Cc1ccccc1 ZINC001461597498 1067898006 /nfs/dbraw/zinc/89/80/06/1067898006.db2.gz KNOXIPPSVFBJFK-QHCPKHFHSA-N 0 1 453.533 4.921 20 0 JJADMN CC(C)[C@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1Cc1ccccc1 ZINC001461598889 1067898577 /nfs/dbraw/zinc/89/85/77/1067898577.db2.gz NGQUHMAQUUGESN-XMMPIXPASA-N 0 1 451.611 4.945 20 0 JJADMN CCCOc1c(Br)cc(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1OCC ZINC001461644968 1067908593 /nfs/dbraw/zinc/90/85/93/1067908593.db2.gz HTHKATTWQYGZOC-LJQANCHMSA-N 0 1 453.421 4.660 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001461710698 1067923211 /nfs/dbraw/zinc/92/32/11/1067923211.db2.gz OMLOBYZUZLBFDI-FQEVSTJZSA-N 0 1 459.775 4.640 20 0 JJADMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001461748646 1067929894 /nfs/dbraw/zinc/92/98/94/1067929894.db2.gz RKJJHMXLCAMRBR-LLVKDONJSA-N 0 1 455.964 4.658 20 0 JJADMN COc1cc(CNCc2cc(N(C)C)ccn2)cc(Br)c1OCc1ccccc1 ZINC001461764620 1067932658 /nfs/dbraw/zinc/93/26/58/1067932658.db2.gz VQCNOXWIDPEGFZ-UHFFFAOYSA-N 0 1 456.384 4.788 20 0 JJADMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC001461772215 1067934294 /nfs/dbraw/zinc/93/42/94/1067934294.db2.gz OXALYXDPNRJKFI-AWEZNQCLSA-N 0 1 455.683 4.617 20 0 JJADMN O=C(CNCc1cc(Br)cc(Br)c1)N1CCCCc2ccccc21 ZINC001461788893 1067937193 /nfs/dbraw/zinc/93/71/93/1067937193.db2.gz FQDLFDYQTOYATO-UHFFFAOYSA-N 0 1 452.190 4.671 20 0 JJADMN COc1ccc(Br)cc1CN(C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461860130 1067949223 /nfs/dbraw/zinc/94/92/23/1067949223.db2.gz ACVMSFRNTHSSEK-CQSZACIVSA-N 0 1 455.315 4.735 20 0 JJADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC001461874041 1067952108 /nfs/dbraw/zinc/95/21/08/1067952108.db2.gz LFDMVPDKMLBDEB-FGZHOGPDSA-N 0 1 453.608 4.979 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CN2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001461948944 1067967178 /nfs/dbraw/zinc/96/71/78/1067967178.db2.gz JLQLREVTCIDTDY-FGZHOGPDSA-N 0 1 457.594 4.586 20 0 JJADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)cc1 ZINC001461956495 1067968947 /nfs/dbraw/zinc/96/89/47/1067968947.db2.gz CYCDKPGFBOXTRQ-KRWDZBQOSA-N 0 1 459.616 4.832 20 0 JJADMN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(N(C)CCOC)nc1 ZINC001461993247 1067976557 /nfs/dbraw/zinc/97/65/57/1067976557.db2.gz GFTZEATZSHARPM-QFIPXVFZSA-N 0 1 450.549 4.674 20 0 JJADMN COc1cc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OCC(F)F ZINC001462010517 1067980079 /nfs/dbraw/zinc/98/00/79/1067980079.db2.gz UZBXBASWFKKLBE-UHFFFAOYSA-N 0 1 454.945 4.709 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2c(CN3CCN(Cc4cccc(Cl)c4)CC3)cccc2C1 ZINC001462022912 1067983209 /nfs/dbraw/zinc/98/32/09/1067983209.db2.gz ZDGDRWLSUQURNX-UHFFFAOYSA-N 0 1 456.030 4.951 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(c2ccnc(NC(=O)C[C@@H]3CCCc4ccccc43)c2)CC1 ZINC001462050202 1067990670 /nfs/dbraw/zinc/99/06/70/1067990670.db2.gz KGWMZWWKJGEWOJ-FQEVSTJZSA-N 0 1 450.583 4.587 20 0 JJADMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2I)[C@@H]1Oc1ccccc1 ZINC001462117756 1068007809 /nfs/dbraw/zinc/00/78/09/1068007809.db2.gz OENBFEVRUXEKAM-QRVBRYPASA-N 0 1 457.739 4.659 20 0 JJADMN CCOC(=O)[C@@H](NC1CCN(Cc2ccccc2Br)CC1)c1cccc(C)c1C ZINC001462118545 1068007858 /nfs/dbraw/zinc/00/78/58/1068007858.db2.gz PVLIDCKGFOEIPZ-QHCPKHFHSA-N 0 1 459.428 4.924 20 0 JJADMN CCC1CCC(N(CCO)Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)CC1 ZINC001462184195 1068024152 /nfs/dbraw/zinc/02/41/52/1068024152.db2.gz PWLIBFBJLGRXBL-UHFFFAOYSA-N 0 1 454.398 4.729 20 0 JJADMN CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462259923 1068040056 /nfs/dbraw/zinc/04/00/56/1068040056.db2.gz JTJOGFQMKNKVCF-UHFFFAOYSA-N 0 1 452.521 4.829 20 0 JJADMN Brc1ncccc1CN1CC[C@H](Cc2cccc(I)c2)C1 ZINC001462263322 1068041301 /nfs/dbraw/zinc/04/13/01/1068041301.db2.gz PHBKNZPLUKEIFH-CQSZACIVSA-N 0 1 457.153 4.513 20 0 JJADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC001462280947 1068043376 /nfs/dbraw/zinc/04/33/76/1068043376.db2.gz UBZHUKVTDPBWRT-AREMUKBSSA-N 0 1 450.579 4.997 20 0 JJADMN CN(C)c1nc(CNCCc2cnc(SC3CCCC3)nc2)c(Cl)n1-c1ccccc1 ZINC001462281717 1068043760 /nfs/dbraw/zinc/04/37/60/1068043760.db2.gz KOADNMWPOTYSPL-UHFFFAOYSA-N 0 1 457.047 4.749 20 0 JJADMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538842 1068094627 /nfs/dbraw/zinc/09/46/27/1068094627.db2.gz ZQHQCHNENIWWKR-KSFYIVLOSA-N 0 1 451.355 4.593 20 0 JJADMN COc1ccc(NC(=O)C[C@@H](C)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 ZINC001462550386 1068096639 /nfs/dbraw/zinc/09/66/39/1068096639.db2.gz ZNXNBTUGYLHNJQ-QGZVFWFLSA-N 0 1 455.555 4.654 20 0 JJADMN C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001462554066 1068097342 /nfs/dbraw/zinc/09/73/42/1068097342.db2.gz AWYKRXLODKOOGG-LBPRGKRZSA-N 0 1 450.283 4.889 20 0 JJADMN C[C@H](NCc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462560257 1068098598 /nfs/dbraw/zinc/09/85/98/1068098598.db2.gz XGMYJTAKBXDQRK-NRFANRHFSA-N 0 1 459.638 4.946 20 0 JJADMN COc1ccc(Oc2ccc(CN3CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001462676109 1068129350 /nfs/dbraw/zinc/12/93/50/1068129350.db2.gz VVSJVLAMXMZPQF-OAQYLSRUSA-N 0 1 456.583 4.681 20 0 JJADMN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001462711121 1068139010 /nfs/dbraw/zinc/13/90/10/1068139010.db2.gz PMPQMRQKAHFCSS-KRWDZBQOSA-N 0 1 459.344 4.605 20 0 JJADMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899351 1068208156 /nfs/dbraw/zinc/20/81/56/1068208156.db2.gz XHQBJWUMXCIDAX-KNQAVFIVSA-N 0 1 457.640 4.517 20 0 JJADMN Cc1cccc(C(C)(C)NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463128038 1068296800 /nfs/dbraw/zinc/29/68/00/1068296800.db2.gz RHYJMAFGHVAAPT-IZZNHLLZSA-N 0 1 466.622 4.957 20 0 JJADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001463229725 1068328447 /nfs/dbraw/zinc/32/84/47/1068328447.db2.gz IVAZLPXSTIURKT-QPPBQGQZSA-N 0 1 450.604 4.597 20 0 JJADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCN1Cc1ccccc1 ZINC001463231570 1068329272 /nfs/dbraw/zinc/32/92/72/1068329272.db2.gz OFNMIXSYIZJZHT-MJGOQNOKSA-N 0 1 457.665 4.925 20 0 JJADMN COc1cc(Br)cc2sc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)nc21 ZINC001463346622 1068366512 /nfs/dbraw/zinc/36/65/12/1068366512.db2.gz JZTTVMNUSUUBNI-NXEZZACHSA-N 0 1 453.280 4.754 20 0 JJADMN CN1CCN(c2ccc(NC(=O)c3cccc(Br)c3Cl)c3cnccc32)CC1 ZINC001463427576 1068393329 /nfs/dbraw/zinc/39/33/29/1068393329.db2.gz CKQBQILKVZNARL-UHFFFAOYSA-N 0 1 459.775 4.655 20 0 JJADMN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001463430556 1068395092 /nfs/dbraw/zinc/39/50/92/1068395092.db2.gz JGNKGYMWNTUKIW-XMMPIXPASA-N 0 1 452.986 4.682 20 0 JJADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001463466285 1068410201 /nfs/dbraw/zinc/41/02/01/1068410201.db2.gz RMOAQUXDMSDVMU-JOCHJYFZSA-N 0 1 452.620 4.912 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)N2CCCC2)cc1 ZINC001463561117 1068443370 /nfs/dbraw/zinc/44/33/70/1068443370.db2.gz CIKWWRKCMMYFMA-HXUWFJFHSA-N 0 1 459.468 4.936 20 0 JJADMN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001463575089 1068452570 /nfs/dbraw/zinc/45/25/70/1068452570.db2.gz XWBWNYSRRFZQMQ-UHFFFAOYSA-N 0 1 458.971 4.547 20 0 JJADMN COc1ccc([C@H](CNC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 ZINC001463663091 1068487028 /nfs/dbraw/zinc/48/70/28/1068487028.db2.gz XRFLJCUWLDEFOA-GOTSBHOMSA-N 0 1 459.631 4.518 20 0 JJADMN COc1ccc(NC(=O)C=C2CCSCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463700149 1068499067 /nfs/dbraw/zinc/49/90/67/1068499067.db2.gz PWRKLYVFGVYCBN-UHFFFAOYSA-N 0 1 452.985 4.541 20 0 JJADMN COc1ccc(NC(=O)/C=C\c2ncccc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463701221 1068499186 /nfs/dbraw/zinc/49/91/86/1068499186.db2.gz WQXBQVFMKHJWPN-BENRWUELSA-N 0 1 457.939 4.505 20 0 JJADMN COc1cccc([C@@H](CNC(=O)CSc2cc(C)c(Br)cc2C)N(C)C)c1 ZINC001463770539 1068519198 /nfs/dbraw/zinc/51/91/98/1068519198.db2.gz QMIDZVXVBNBOOK-LJQANCHMSA-N 0 1 451.430 4.586 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)N(C)C)c1 ZINC001463770495 1068519271 /nfs/dbraw/zinc/51/92/71/1068519271.db2.gz QHSLBYMMUSYHFG-MHZLTWQESA-N 0 1 454.574 4.889 20 0 JJADMN CCc1ccc([C@@H](CNS(=O)(=O)Cc2ccsc2Br)N(CC)CC)cc1 ZINC001463790071 1068524547 /nfs/dbraw/zinc/52/45/47/1068524547.db2.gz DIWJIBMEGYANBW-GOSISDBHSA-N 0 1 459.475 4.576 20 0 JJADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1nccnc1SCc1ccccc1 ZINC001463793991 1068526455 /nfs/dbraw/zinc/52/64/55/1068526455.db2.gz DUYLMILNSPCRGS-UHFFFAOYSA-N 0 1 453.011 4.817 20 0 JJADMN Cc1cccc(N2CCN(C(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3O)CC2)c1 ZINC001463803236 1068530961 /nfs/dbraw/zinc/53/09/61/1068530961.db2.gz BLAVRVCNWIMJQP-UHFFFAOYSA-N 0 1 455.967 4.630 20 0 JJADMN CCCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2=O)cc1 ZINC001463827040 1068538949 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IJLAEKCBWQMRDC-YKSBVNFPSA-N 0 1 456.030 4.845 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC001463913385 1068563546 /nfs/dbraw/zinc/56/35/46/1068563546.db2.gz JBMKQNCZJBNSBT-UEXGIBASSA-N 0 1 452.039 4.923 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Cl ZINC001463917151 1068565723 /nfs/dbraw/zinc/56/57/23/1068565723.db2.gz OSUDMGQOGZFBLE-NRFANRHFSA-N 0 1 450.023 4.796 20 0 JJADMN CC[C@H](C)c1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C(C)C)cc1 ZINC001463963165 1068576429 /nfs/dbraw/zinc/57/64/29/1068576429.db2.gz RESJUJKIZMSIHB-MHECFPHRSA-N 0 1 458.624 4.817 20 0 JJADMN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCCCN1CCN(c2ccccc2)CC1 ZINC001464099083 1068614713 /nfs/dbraw/zinc/61/47/13/1068614713.db2.gz XVYBAYZUEOPWDD-JXMROGBWSA-N 0 1 451.920 4.701 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCC2CCCCC2)c1 ZINC001464099644 1068615495 /nfs/dbraw/zinc/61/54/95/1068615495.db2.gz LDOBIBOESCQBOZ-UHFFFAOYSA-N 0 1 450.988 4.850 20 0 JJADMN Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001464122991 1068623064 /nfs/dbraw/zinc/62/30/64/1068623064.db2.gz RZNZEVTYHCUAJL-SZPZYZBQSA-N 0 1 456.586 4.765 20 0 JJADMN CCN(CC)c1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 ZINC001464123227 1068623193 /nfs/dbraw/zinc/62/31/93/1068623193.db2.gz DDLFINSJASRHRR-UHFFFAOYSA-N 0 1 456.634 4.785 20 0 JJADMN C[C@H]1CN(Cc2ccc(CNC(=O)CN(Cc3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 ZINC001464125116 1068624240 /nfs/dbraw/zinc/62/42/40/1068624240.db2.gz YSCVWPRPUKHHFR-ZEQRLZLVSA-N 0 1 457.618 4.619 20 0 JJADMN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC001464131006 1068627310 /nfs/dbraw/zinc/62/73/10/1068627310.db2.gz OKZOWLXRITZAMZ-KBPBESRZSA-N 0 1 455.356 4.696 20 0 JJADMN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001464134387 1068628595 /nfs/dbraw/zinc/62/85/95/1068628595.db2.gz FMDMNGYFTCTFNS-FQEVSTJZSA-N 0 1 452.039 4.924 20 0 JJADMN CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CCCCC1 ZINC001464138528 1068630696 /nfs/dbraw/zinc/63/06/96/1068630696.db2.gz SGQDRVBLWAWTFS-FQEVSTJZSA-N 0 1 450.023 4.821 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC001464227037 1068665661 /nfs/dbraw/zinc/66/56/61/1068665661.db2.gz GMTIHMMECYSFTG-UKILVPOCSA-N 0 1 471.022 4.604 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccnc2OC(C)C)ccc1Cl ZINC001464230565 1068666324 /nfs/dbraw/zinc/66/63/24/1068666324.db2.gz CPIDKZAJVDZLJA-UHFFFAOYSA-N 0 1 459.955 4.884 20 0 JJADMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)[C@@H](O)c1cccc(Br)c1 ZINC001464281346 1068689371 /nfs/dbraw/zinc/68/93/71/1068689371.db2.gz QBISLHPZYKYBDF-IBGZPJMESA-N 0 1 458.262 4.943 20 0 JJADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001464280973 1068689445 /nfs/dbraw/zinc/68/94/45/1068689445.db2.gz JZNARUKDLKOZQH-CMJOXMDJSA-N 0 1 454.933 4.536 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)N1CCCCC1 ZINC001464334554 1068710257 /nfs/dbraw/zinc/71/02/57/1068710257.db2.gz NTGVJEKHYWFRAY-NRFANRHFSA-N 0 1 456.384 4.896 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)N1CCCCC1 ZINC001464342504 1068713039 /nfs/dbraw/zinc/71/30/39/1068713039.db2.gz ZXJCEZOTERAJDD-MDNUFGMLSA-N 0 1 473.658 4.812 20 0 JJADMN COC(=O)Cc1sc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)nc1-c1ccccc1 ZINC001464452966 1068752055 /nfs/dbraw/zinc/75/20/55/1068752055.db2.gz ZZFMVLUAOPGTCF-UHFFFAOYSA-N 0 1 452.923 4.821 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccco1 ZINC001464549363 1068778936 /nfs/dbraw/zinc/77/89/36/1068778936.db2.gz HDILGQBKFJVSKO-DEOSSOPVSA-N 0 1 458.562 4.954 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCn2ccc3cc(Cl)ccc32)CC1 ZINC001464557929 1068780779 /nfs/dbraw/zinc/78/07/79/1068780779.db2.gz GPPLKMUDDODNLF-GOSISDBHSA-N 0 1 456.993 4.843 20 0 JJADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(Cl)cc(Br)c1N ZINC001464561257 1068782375 /nfs/dbraw/zinc/78/23/75/1068782375.db2.gz NWZMQLVEJFSVTQ-UHFFFAOYSA-N 0 1 454.821 4.794 20 0 JJADMN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)c2)C1 ZINC001464571688 1068786093 /nfs/dbraw/zinc/78/60/93/1068786093.db2.gz BQECBZNVHPQSCH-YLJYHZDGSA-N 0 1 451.592 4.809 20 0 JJADMN Cc1csc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1I ZINC001464580893 1068790384 /nfs/dbraw/zinc/79/03/84/1068790384.db2.gz DHWQEHVLEBEIKJ-MRXNPFEDSA-N 0 1 454.377 4.536 20 0 JJADMN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001464600325 1068795333 /nfs/dbraw/zinc/79/53/33/1068795333.db2.gz CMRMDNOQZIJMMX-ATIYNZHBSA-N 0 1 450.623 4.546 20 0 JJADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)C1 ZINC001464628880 1068803805 /nfs/dbraw/zinc/80/38/05/1068803805.db2.gz LJSCABCCEKVICU-FBBABVLZSA-N 0 1 455.565 4.632 20 0 JJADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Oc2ccccc2F)nc1 ZINC001464641777 1068808420 /nfs/dbraw/zinc/80/84/20/1068808420.db2.gz 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JJADMN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164697597 719897603 /nfs/dbraw/zinc/89/76/03/719897603.db2.gz LVAYMUXTIGAQST-UHFFFAOYSA-N 0 1 491.995 4.670 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@H]2C ZINC001164858614 720939380 /nfs/dbraw/zinc/93/93/80/720939380.db2.gz JPPBDMPQILSPBK-ZDUSSCGKSA-N 0 1 452.912 4.585 20 0 JJADMN Cc1sc2nc(-c3cccnc3)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164864236 721003357 /nfs/dbraw/zinc/00/33/57/721003357.db2.gz ZWSUKQFWDZZJHY-KRWDZBQOSA-N 0 1 461.639 4.988 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@H]2C ZINC001164857993 721009702 /nfs/dbraw/zinc/00/97/02/721009702.db2.gz FAOZISCAFVTUJE-QMHKHESXSA-N 0 1 458.969 4.542 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)[C@H]2C ZINC001164856419 721013842 /nfs/dbraw/zinc/01/38/42/721013842.db2.gz AEGWBZBVJJJZSV-NRFANRHFSA-N 0 1 459.642 4.752 20 0 JJADMN COc1ccc(Oc2nc(Cl)ncc2N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)cc1 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455.002 4.920 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899167 721432449 /nfs/dbraw/zinc/43/24/49/721432449.db2.gz YAAZWXULUYYXPW-OUTSHDOLSA-N 0 1 456.634 4.667 20 0 JJADMN Cc1sc2nc(-c3cccs3)nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164898665 721434726 /nfs/dbraw/zinc/43/47/26/721434726.db2.gz WINMSNYVUOKIIF-IBVKSMDESA-N 0 1 497.734 4.802 20 0 JJADMN COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)cc1 ZINC001164808359 721541622 /nfs/dbraw/zinc/54/16/22/721541622.db2.gz RPVSARCKAMMSMQ-PVHODMMVSA-N 0 1 499.590 4.708 20 0 JJADMN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908493 721693017 /nfs/dbraw/zinc/69/30/17/721693017.db2.gz ZLQQFYBICZJDCY-OAQYLSRUSA-N 0 1 479.909 4.961 20 0 JJADMN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907474 721700705 /nfs/dbraw/zinc/70/07/05/721700705.db2.gz UCHREAVVDKGPPO-OAQYLSRUSA-N 0 1 479.909 4.961 20 0 JJADMN CCOC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906774 721713868 /nfs/dbraw/zinc/71/38/68/721713868.db2.gz OAHMKWOWKQTIIM-VWLOTQADSA-N 0 1 466.532 4.544 20 0 JJADMN COc1ccc(Oc2cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc(C)n2)cc1 ZINC001164913384 721732834 /nfs/dbraw/zinc/73/28/34/721732834.db2.gz UWTQYULBHYYTLC-VWLOTQADSA-N 0 1 481.547 4.719 20 0 JJADMN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015572 721766508 /nfs/dbraw/zinc/76/65/08/721766508.db2.gz RSRAYHKUBLUDLQ-UHFFFAOYSA-N 0 1 470.911 4.787 20 0 JJADMN CCOC(=O)c1cnc(Cl)c(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c1Cl ZINC001165022115 721839264 /nfs/dbraw/zinc/83/92/64/721839264.db2.gz PDBIBISNMNKVFJ-UHFFFAOYSA-N 0 1 482.408 4.683 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2cccc(-c3cccc(Cl)n3)n2)CC1 ZINC001165021992 721841128 /nfs/dbraw/zinc/84/11/28/721841128.db2.gz LMFZIELIUUVNQO-UHFFFAOYSA-N 0 1 452.986 4.915 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2cncc(Oc3cccc(F)c3)n2)CC1 ZINC001165020236 721842562 /nfs/dbraw/zinc/84/25/62/721842562.db2.gz AKNPPGCFICWANG-UHFFFAOYSA-N 0 1 452.530 4.526 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2c(Cl)nc(Cl)nc2C2CC2)CC1 ZINC001165029737 721845264 /nfs/dbraw/zinc/84/52/64/721845264.db2.gz AVMGQNQERLGPNY-UHFFFAOYSA-N 0 1 451.398 4.779 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)CC3)C2)cc1 ZINC001164938646 721932724 /nfs/dbraw/zinc/93/27/24/721932724.db2.gz CISSMGBMLGVMRU-UHFFFAOYSA-N 0 1 489.954 4.510 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4ccnc(CSc5ccccc5)n4)CC3)C2)cc1 ZINC001164942325 721933292 /nfs/dbraw/zinc/93/32/92/721933292.db2.gz LLRSDQDLRQELQR-UHFFFAOYSA-N 0 1 460.647 4.949 20 0 JJADMN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963278 722059323 /nfs/dbraw/zinc/05/93/23/722059323.db2.gz VHBXEIOLXBKSDS-UHFFFAOYSA-N 0 1 495.023 4.579 20 0 JJADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963335 722060503 /nfs/dbraw/zinc/06/05/03/722060503.db2.gz WVGVXOJQTWAUJZ-UHFFFAOYSA-N 0 1 464.013 4.619 20 0 JJADMN c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1-c1ccccc1 ZINC001164967219 722075197 /nfs/dbraw/zinc/07/51/97/722075197.db2.gz OFNMIHRPEJBKFY-ZRZAMGCNSA-N 0 1 489.689 4.644 20 0 JJADMN c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971371 722108303 /nfs/dbraw/zinc/10/83/03/722108303.db2.gz BMKOARPYFJUVBA-LITSAYRRSA-N 0 1 477.612 4.933 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001545858951 1064267139 /nfs/dbraw/zinc/26/71/39/1064267139.db2.gz AGGMZEKPZZTYSX-NRFANRHFSA-N 0 1 492.712 4.826 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1C[C@H](c1ccccc1)N(C)C ZINC001545859531 1064268119 /nfs/dbraw/zinc/26/81/19/1064268119.db2.gz OLKRMDMNRZLMLU-OEMFJLHTSA-N 0 1 466.674 4.658 20 0 JJADMN CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001359723219 1064270248 /nfs/dbraw/zinc/27/02/48/1064270248.db2.gz MQFCWRPZFAWWJL-FPOVZHCZSA-N 0 1 461.969 4.668 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001545862699 1064270699 /nfs/dbraw/zinc/27/06/99/1064270699.db2.gz QEUMGRROFHSNFJ-FPOVZHCZSA-N 0 1 472.703 4.577 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001545865406 1064272923 /nfs/dbraw/zinc/27/29/23/1064272923.db2.gz AKQJEYSWOBMCOV-CUBQBAPOSA-N 0 1 480.701 4.660 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(CC)C2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001545865407 1064273276 /nfs/dbraw/zinc/27/32/76/1064273276.db2.gz AKQJEYSWOBMCOV-RBJSKKJNSA-N 0 1 480.701 4.660 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001545865947 1064274904 /nfs/dbraw/zinc/27/49/04/1064274904.db2.gz QFSNEHVKDOSIJR-VWLOTQADSA-N 0 1 478.685 4.580 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001545865947 1064274917 /nfs/dbraw/zinc/27/49/17/1064274917.db2.gz QFSNEHVKDOSIJR-VWLOTQADSA-N 0 1 478.685 4.580 20 0 JJADMN CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccco2)N(C)C)CCS1 ZINC001359754370 1064344978 /nfs/dbraw/zinc/34/49/78/1064344978.db2.gz DITHTRCQWCPXIH-GGAORHGYSA-N 0 1 453.656 4.537 20 0 JJADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C ZINC001434919173 1064346461 /nfs/dbraw/zinc/34/64/61/1064346461.db2.gz MFNSYSZTJOJQBL-INIZCTEOSA-N 0 1 453.530 4.829 20 0 JJADMN C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434977228 1064392547 /nfs/dbraw/zinc/39/25/47/1064392547.db2.gz HNGACOMQBCBBOU-OAHLLOKOSA-N 0 1 458.990 4.845 20 0 JJADMN CC(C)COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC001434978521 1064394710 /nfs/dbraw/zinc/39/47/10/1064394710.db2.gz JWGYJPFOYFHBJB-FQEVSTJZSA-N 0 1 455.618 4.767 20 0 JJADMN Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434979263 1064395491 /nfs/dbraw/zinc/39/54/91/1064395491.db2.gz LXVNDAUBNQPGPW-KRWDZBQOSA-N 0 1 452.599 4.809 20 0 JJADMN CCN(CC)[C@H](C(=O)Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC001434984953 1064401103 /nfs/dbraw/zinc/40/11/03/1064401103.db2.gz CRLMTNQUFANERU-IBGZPJMESA-N 0 1 451.880 4.961 20 0 JJADMN CC(=O)c1cccc(OCc2cc(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)no2)c1 ZINC001435011305 1064426891 /nfs/dbraw/zinc/42/68/91/1064426891.db2.gz XHFLDHBXTGJCOP-UHFFFAOYSA-N 0 1 454.895 4.880 20 0 JJADMN CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001359780202 1064428723 /nfs/dbraw/zinc/42/87/23/1064428723.db2.gz NLGYBRJQEGSHSH-HDICACEKSA-N 0 1 485.570 4.770 20 0 JJADMN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CC1(C)C ZINC001435014832 1064431672 /nfs/dbraw/zinc/43/16/72/1064431672.db2.gz SPTUMOWARJWGSI-AREMUKBSSA-N 0 1 457.615 4.588 20 0 JJADMN CC(C)Cc1nnc(N(C)CCOc2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001359786102 1064439818 /nfs/dbraw/zinc/43/98/18/1064439818.db2.gz LIZZHNMBRARVDA-BGYRXZFFSA-N 0 1 478.081 4.533 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(Cl)c(F)cc3Cl)CC2)c1C ZINC001359795694 1064454563 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C[C@@H](C(=O)N[C@H]1CCOc2ccc(Br)cc21)N1CCC(Cc2ccccc2)CC1 ZINC001455568876 1066412551 /nfs/dbraw/zinc/41/25/51/1066412551.db2.gz SFXTURUJJYFADU-JTSKRJEESA-N 0 1 457.412 4.732 20 0 JJADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ncc(C(F)(F)F)cc1Cl ZINC001444141479 1066414886 /nfs/dbraw/zinc/41/48/86/1066414886.db2.gz UIMNSYOQQHHICQ-CQSZACIVSA-N 0 1 451.798 4.777 20 0 JJADMN CCCn1cc(C(=O)Nc2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)[nH]c3c2)cn1 ZINC001455625168 1066416245 /nfs/dbraw/zinc/41/62/45/1066416245.db2.gz IJHLUVZXIMAKRG-UHFFFAOYSA-N 0 1 452.559 4.536 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)Cc4cccc(F)c4)cc3[nH]2)CC1 ZINC001455623875 1066416696 /nfs/dbraw/zinc/41/66/96/1066416696.db2.gz FPELTQCLOJBAKH-UHFFFAOYSA-N 0 1 452.530 4.998 20 0 JJADMN Cc1cc(Cl)ccc1O[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1 ZINC001455643269 1066418305 /nfs/dbraw/zinc/41/83/05/1066418305.db2.gz ZSJDLGLWPOKWKE-RSEQLOHWSA-N 0 1 457.014 4.776 20 0 JJADMN C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001444249349 1066434532 /nfs/dbraw/zinc/43/45/32/1066434532.db2.gz RKAMEMKMTUXMJU-AGILITTLSA-N 0 1 457.659 4.529 20 0 JJADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001444249353 1066435372 /nfs/dbraw/zinc/43/53/72/1066435372.db2.gz RKAMEMKMTUXMJU-FGCOXFRFSA-N 0 1 457.659 4.529 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001361151937 1066444710 /nfs/dbraw/zinc/44/47/10/1066444710.db2.gz GLDWRUZDJGKJDG-ZEQRLZLVSA-N 0 1 483.701 4.703 20 0 JJADMN CCCN(C(=O)c1cccc(I)c1O)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001444318771 1066447906 /nfs/dbraw/zinc/44/79/06/1066447906.db2.gz DYCCVLMWRTZEBI-DLBZAZTESA-N 0 1 457.352 4.587 20 0 JJADMN CCCC[C@@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001444322958 1066448816 /nfs/dbraw/zinc/44/88/16/1066448816.db2.gz QJLYFMUNRYRSBZ-KRWDZBQOSA-N 0 1 459.395 4.729 20 0 JJADMN Cc1cc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)ccc1C(=O)N(C)C ZINC001444351551 1066453901 /nfs/dbraw/zinc/45/39/01/1066453901.db2.gz VCFLJDRWJXZWDL-UHFFFAOYSA-N 0 1 457.939 4.622 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361159081 1066463106 /nfs/dbraw/zinc/46/31/06/1066463106.db2.gz OAPXICAGAWXTPD-XWGVYQGASA-N 0 1 469.674 4.600 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361159079 1066463248 /nfs/dbraw/zinc/46/32/48/1066463248.db2.gz OAPXICAGAWXTPD-OEMFJLHTSA-N 0 1 469.674 4.600 20 0 JJADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001444497154 1066468065 /nfs/dbraw/zinc/46/80/65/1066468065.db2.gz DPGBGDITYOPUIX-FOIQADDNSA-N 0 1 450.988 4.887 20 0 JJADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001444497164 1066468234 /nfs/dbraw/zinc/46/82/34/1066468234.db2.gz DPGBGDITYOPUIX-QRWLVFNGSA-N 0 1 450.988 4.887 20 0 JJADMN COc1ccc(-c2n[nH]c(NC(=O)c3cc4cc(Br)ccc4s3)n2)cc1OC ZINC001444585627 1066479453 /nfs/dbraw/zinc/47/94/53/1066479453.db2.gz RCNIZYCWNRWORT-UHFFFAOYSA-N 0 1 459.325 4.718 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175679 1066493366 /nfs/dbraw/zinc/49/33/66/1066493366.db2.gz UQJLWZYXHMKWLN-ILWGZMRPSA-N 0 1 465.642 4.974 20 0 JJADMN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2ccco2)N(C)C)cc1Br ZINC001361175944 1066493708 /nfs/dbraw/zinc/49/37/08/1066493708.db2.gz ZENWQLUNVIZZOA-INIZCTEOSA-N 0 1 486.336 4.910 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361175998 1066494654 /nfs/dbraw/zinc/49/46/54/1066494654.db2.gz ZWDGAYRYZJLPHY-KSEOMHKRSA-N 0 1 451.615 4.586 20 0 JJADMN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2c(C)n[nH]c2C(F)(F)F)cc1 ZINC001444777256 1066503686 /nfs/dbraw/zinc/50/36/86/1066503686.db2.gz KSRFLQFQPRGATG-UHFFFAOYSA-N 0 1 453.442 4.575 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC001444909939 1066517419 /nfs/dbraw/zinc/51/74/19/1066517419.db2.gz XIJWBFBEBMRRQS-UHFFFAOYSA-N 0 1 452.382 4.552 20 0 JJADMN Cc1ccc(-c2nnc(N(CC(C)C)C(C)C)n2CCCCN2CCOCC2)cc1Br ZINC001361191416 1066518307 /nfs/dbraw/zinc/51/83/07/1066518307.db2.gz SFDODRZSHKTPNW-UHFFFAOYSA-N 0 1 492.506 4.999 20 0 JJADMN CSc1cccc([C@H](NC(=O)c2ccc(Cc3nc[nH]n3)cc2)c2cc(F)ccc2F)c1 ZINC001445007125 1066529511 /nfs/dbraw/zinc/52/95/11/1066529511.db2.gz UIOSITXTRFBTBO-QHCPKHFHSA-N 0 1 450.514 4.915 20 0 JJADMN CSc1cc(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)ccc1Br ZINC001456199259 1066535895 /nfs/dbraw/zinc/53/58/95/1066535895.db2.gz RRIPWTKIANUQCO-UHFFFAOYSA-N 0 1 455.462 4.715 20 0 JJADMN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001456236594 1066541684 /nfs/dbraw/zinc/54/16/84/1066541684.db2.gz WGRHFZAVADXIBV-UHFFFAOYSA-N 0 1 458.271 4.941 20 0 JJADMN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ccc3nc(CC4CCCCC4)[nH]c3c2)C1 ZINC001445230556 1066548103 /nfs/dbraw/zinc/54/81/03/1066548103.db2.gz DGQLDTNFEJRUKX-LJQANCHMSA-N 0 1 456.587 4.650 20 0 JJADMN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270208 1066550847 /nfs/dbraw/zinc/55/08/47/1066550847.db2.gz JUAFYIVTDRENQW-IIQVAULWSA-N 0 1 453.671 4.912 20 0 JJADMN Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cc2)c1C ZINC001445288677 1066554572 /nfs/dbraw/zinc/55/45/72/1066554572.db2.gz FULRSJFNVTUJBS-UHFFFAOYSA-N 0 1 451.592 4.727 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C4CCC4)CC3)n2CCCCOC(C)C)cc1Br ZINC001361222534 1066561033 /nfs/dbraw/zinc/56/10/33/1066561033.db2.gz HDNPDPJAHPFEQO-UHFFFAOYSA-N 0 1 490.490 4.896 20 0 JJADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363886 1066562591 /nfs/dbraw/zinc/56/25/91/1066562591.db2.gz HJWQLISCYSWOMX-FDDCHVKYSA-N 0 1 450.608 4.975 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)o1 ZINC001361226195 1066564936 /nfs/dbraw/zinc/56/49/36/1066564936.db2.gz VTGIKQHJVHOYGN-FYYLOGMGSA-N 0 1 487.689 4.623 20 0 JJADMN CC(C)c1ncc(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)[nH]1 ZINC001456347333 1066566899 /nfs/dbraw/zinc/56/68/99/1066566899.db2.gz XHWFKCGFJXNNLG-UHFFFAOYSA-N 0 1 455.584 4.857 20 0 JJADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590209 1066592674 /nfs/dbraw/zinc/59/26/74/1066592674.db2.gz IRQILRHZZOIGFV-HYBUGGRVSA-N 0 1 454.574 4.952 20 0 JJADMN Cc1ccc(CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C(C)C)N2CCOCC2)s1 ZINC001361250024 1066595638 /nfs/dbraw/zinc/59/56/38/1066595638.db2.gz OCXQNLXVRBUVOM-QFIPXVFZSA-N 0 1 474.074 4.962 20 0 JJADMN Cc1ccc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@H](C)CN2CCOCC2)s1 ZINC001361251223 1066598492 /nfs/dbraw/zinc/59/84/92/1066598492.db2.gz JQRDIJOYBWWRTH-QGZVFWFLSA-N 0 1 460.047 4.573 20 0 JJADMN CC(C)CCN1Cc2cccc(NC(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)c2C1 ZINC001361253783 1066601772 /nfs/dbraw/zinc/60/17/72/1066601772.db2.gz HTRYYRGQPNUTMD-SFHVURJKSA-N 0 1 456.384 4.875 20 0 JJADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC001456502565 1066602895 /nfs/dbraw/zinc/60/28/95/1066602895.db2.gz HCWUBQJZMFDYJC-UHFFFAOYSA-N 0 1 458.528 4.578 20 0 JJADMN CC[C@H](Sc1ccccc1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC001456503701 1066603796 /nfs/dbraw/zinc/60/37/96/1066603796.db2.gz KDIYSYIEBASCIJ-NRFANRHFSA-N 0 1 451.558 4.644 20 0 JJADMN Cc1ccc(CN(Cc2ccco2)c2nnc(CC(C)C)n2CCN2CCSCC2)s1 ZINC001361261861 1066614831 /nfs/dbraw/zinc/61/48/31/1066614831.db2.gz KPQALQAWKCVHHE-UHFFFAOYSA-N 0 1 459.685 4.695 20 0 JJADMN CCN(C)[C@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624941 1066648975 /nfs/dbraw/zinc/64/89/75/1066648975.db2.gz WGVFSBDKORFUIF-QPPBQGQZSA-N 0 1 457.659 4.955 20 0 JJADMN Cc1ccccc1OCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001492601769 1066657118 /nfs/dbraw/zinc/65/71/18/1066657118.db2.gz JDNWZIDRQOAASE-VXKWHMMOSA-N 0 1 471.690 4.578 20 0 JJADMN Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001446175914 1066668748 /nfs/dbraw/zinc/66/87/48/1066668748.db2.gz PSANRLBVSSLUFI-ROUUACIJSA-N 0 1 454.412 4.834 20 0 JJADMN C[N@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001446191859 1066672632 /nfs/dbraw/zinc/67/26/32/1066672632.db2.gz KVGBTJXDVTYSRD-FXAWDEMLSA-N 0 1 455.755 4.572 20 0 JJADMN CN1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001446191859 1066672636 /nfs/dbraw/zinc/67/26/36/1066672636.db2.gz KVGBTJXDVTYSRD-FXAWDEMLSA-N 0 1 455.755 4.572 20 0 JJADMN CN1CC[C@@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccc(F)cc1 ZINC001446191980 1066673278 /nfs/dbraw/zinc/67/32/78/1066673278.db2.gz LJUVNYMYYDBLQW-IIBYNOLFSA-N 0 1 451.489 4.948 20 0 JJADMN CN1CC[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001446196437 1066674306 /nfs/dbraw/zinc/67/43/06/1066674306.db2.gz SLWNANPPOMGTCV-DENIHFKCSA-N 0 1 458.603 4.513 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2CCCCN2CCOCC2)c1 ZINC001492613410 1066675621 /nfs/dbraw/zinc/67/56/21/1066675621.db2.gz SIWQODKJVCOKLG-UHFFFAOYSA-N 0 1 467.658 4.558 20 0 JJADMN CC1=CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 ZINC001492614079 1066677671 /nfs/dbraw/zinc/67/76/71/1066677671.db2.gz SUFBVVPHNJMRPQ-NRFANRHFSA-N 0 1 476.090 4.737 20 0 JJADMN CC1=CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCCN2CCOCC2)CC1 ZINC001492615806 1066682416 /nfs/dbraw/zinc/68/24/16/1066682416.db2.gz ZGDWEMHPRWAFLI-UHFFFAOYSA-N 0 1 494.865 4.630 20 0 JJADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(O)cc(Br)c1 ZINC001446329193 1066691104 /nfs/dbraw/zinc/69/11/04/1066691104.db2.gz ALSBNCPZFUIZLW-UHFFFAOYSA-N 0 1 450.161 4.937 20 0 JJADMN CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1cc(C(=O)OCc2ccccc2)[nH]n1 ZINC001456802281 1066694383 /nfs/dbraw/zinc/69/43/83/1066694383.db2.gz XPYSKIOLUOABJH-UHFFFAOYSA-N 0 1 456.340 4.737 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1 ZINC001456829854 1066702399 /nfs/dbraw/zinc/70/23/99/1066702399.db2.gz ZHOLZYHZNJAHJU-AZUAARDMSA-N 0 1 462.999 4.800 20 0 JJADMN Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC001492633466 1066714489 /nfs/dbraw/zinc/71/44/89/1066714489.db2.gz ZXCJXKNTJRDHNH-HDICACEKSA-N 0 1 474.719 4.612 20 0 JJADMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC001446520129 1066714624 /nfs/dbraw/zinc/71/46/24/1066714624.db2.gz YPHCGKDCPPXFSV-BXKMTCNYSA-N 0 1 452.002 4.806 20 0 JJADMN CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001456895543 1066716413 /nfs/dbraw/zinc/71/64/13/1066716413.db2.gz WFNVIDYMPBUKNF-INIZCTEOSA-N 0 1 452.382 4.657 20 0 JJADMN CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(Cl)cc1O ZINC001446532309 1066717094 /nfs/dbraw/zinc/71/70/94/1066717094.db2.gz XPZSKRBSRBHZFK-UHFFFAOYSA-N 0 1 453.992 4.540 20 0 JJADMN CC[C@H]1c2ccccc2CN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001457001351 1066739045 /nfs/dbraw/zinc/73/90/45/1066739045.db2.gz KONFSUXPIHLSHV-NRFANRHFSA-N 0 1 456.951 4.954 20 0 JJADMN Cc1csc(CCCCn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(C)C)CC2)n1 ZINC001492644177 1066741115 /nfs/dbraw/zinc/74/11/15/1066741115.db2.gz YPAODDIDUVDRPK-UHFFFAOYSA-N 0 1 489.089 4.829 20 0 JJADMN O=C(NCc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1)c1cccs1 ZINC001457011274 1066741728 /nfs/dbraw/zinc/74/17/28/1066741728.db2.gz FFQZHZWPPNKPEE-UHFFFAOYSA-N 0 1 455.337 4.569 20 0 JJADMN CCC[C@@H]1CN(C(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC001446813950 1066743844 /nfs/dbraw/zinc/74/38/44/1066743844.db2.gz JQCMYLVUXBIQKH-NVECHQRWSA-N 0 1 455.643 4.703 20 0 JJADMN Cc1csc(CN(C)c2nnc(C(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC001492645014 1066744968 /nfs/dbraw/zinc/74/49/68/1066744968.db2.gz IBSUXQREEHEMBJ-NRFANRHFSA-N 0 1 452.672 4.619 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001492645869 1066747857 /nfs/dbraw/zinc/74/78/57/1066747857.db2.gz LUMBHMYXKKGPHP-PMACEKPBSA-N 0 1 453.656 4.839 20 0 JJADMN Cc1ccc(C2=CCN(C(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3O)CC2)cn1 ZINC001446862310 1066749545 /nfs/dbraw/zinc/74/95/45/1066749545.db2.gz ADFLTJOKAVXLPU-UHFFFAOYSA-N 0 1 453.951 4.992 20 0 JJADMN CC[C@]1(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985489 1066761915 /nfs/dbraw/zinc/76/19/15/1066761915.db2.gz QFEIFXCZMMENAW-UQBPGWFLSA-N 0 1 459.635 4.738 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)Nc3cccc(Cl)c3O)s2)CC1 ZINC001447062141 1066770320 /nfs/dbraw/zinc/77/03/20/1066770320.db2.gz JUCURDSFBZBDFX-UHFFFAOYSA-N 0 1 451.976 4.944 20 0 JJADMN CSc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(Br)c3O)CC2=O)cc1 ZINC001447086057 1066771887 /nfs/dbraw/zinc/77/18/87/1066771887.db2.gz ANJVHHUWXLQNQR-JTQLQIEISA-N 0 1 455.761 4.522 20 0 JJADMN CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)cc1 ZINC001447163074 1066779196 /nfs/dbraw/zinc/77/91/96/1066779196.db2.gz JIHWOTYYBFZPKT-GOSISDBHSA-N 0 1 452.576 4.858 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3CNC(=O)OC(C)(C)C)n2)cc1 ZINC001457171197 1066779695 /nfs/dbraw/zinc/77/96/95/1066779695.db2.gz XKRDRYOHDWQQOP-UHFFFAOYSA-N 0 1 453.568 4.536 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@H](c2ccco2)N(C)C)cs1 ZINC001492662875 1066782789 /nfs/dbraw/zinc/78/27/89/1066782789.db2.gz ZDLWSPXOYJJWGP-CRAIPNDOSA-N 0 1 456.641 4.789 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001457195871 1066784981 /nfs/dbraw/zinc/78/49/81/1066784981.db2.gz MIMMBYYJFJGHBJ-LADGPHEKSA-N 0 1 457.659 4.893 20 0 JJADMN CC(C)c1nc([C@H](C)NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)n[nH]1 ZINC001447284273 1066788069 /nfs/dbraw/zinc/78/80/69/1066788069.db2.gz GQANKXBRHPROQU-KRWDZBQOSA-N 0 1 457.644 4.740 20 0 JJADMN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)C1 ZINC001457315858 1066808701 /nfs/dbraw/zinc/80/87/01/1066808701.db2.gz MULIAAGQUXHEQY-HUUCEWRRSA-N 0 1 456.340 4.910 20 0 JJADMN Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCCCCc1ccnc(N)c1 ZINC001457430742 1066830727 /nfs/dbraw/zinc/83/07/27/1066830727.db2.gz VMIBUADQANWXKC-UHFFFAOYSA-N 0 1 453.384 4.913 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@H](C)C2)n1 ZINC001492686969 1066831982 /nfs/dbraw/zinc/83/19/82/1066831982.db2.gz PYVBZPTXAKVXCQ-DAYGRLMNSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC001492686969 1066831990 /nfs/dbraw/zinc/83/19/90/1066831990.db2.gz PYVBZPTXAKVXCQ-DAYGRLMNSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)c2ccccc2)n1 ZINC001492687798 1066833794 /nfs/dbraw/zinc/83/37/94/1066833794.db2.gz QSAOEBOCRLVYQW-AWEZNQCLSA-N 0 1 486.443 4.678 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)c2ccccc2)[nH]1 ZINC001492687798 1066833799 /nfs/dbraw/zinc/83/37/99/1066833799.db2.gz QSAOEBOCRLVYQW-AWEZNQCLSA-N 0 1 486.443 4.678 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3cccc(Br)c3)nnc2N2CC=C(C(C)(C)C)CC2)n1 ZINC001492687738 1066833946 /nfs/dbraw/zinc/83/39/46/1066833946.db2.gz OSRQTYRGHGWEBZ-UHFFFAOYSA-N 0 1 470.419 4.559 20 0 JJADMN Cc1nnc(CCn2c(-c3cccc(Br)c3)nnc2N2CC=C(C(C)(C)C)CC2)[nH]1 ZINC001492687738 1066833950 /nfs/dbraw/zinc/83/39/50/1066833950.db2.gz OSRQTYRGHGWEBZ-UHFFFAOYSA-N 0 1 470.419 4.559 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC(C)(C)CC2)n1 ZINC001492689022 1066835089 /nfs/dbraw/zinc/83/50/89/1066835089.db2.gz XDEIXQUMYKBCHS-UHFFFAOYSA-N 0 1 451.619 4.666 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC(C)(C)CC2)[nH]1 ZINC001492689022 1066835096 /nfs/dbraw/zinc/83/50/96/1066835096.db2.gz XDEIXQUMYKBCHS-UHFFFAOYSA-N 0 1 451.619 4.666 20 0 JJADMN Cc1n[nH]c(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)n1 ZINC001492692158 1066837545 /nfs/dbraw/zinc/83/75/45/1066837545.db2.gz UXSZIACVGVQVTP-HSZRJFAPSA-N 0 1 490.077 4.534 20 0 JJADMN Cc1nnc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[nH]1 ZINC001492692158 1066837551 /nfs/dbraw/zinc/83/75/51/1066837551.db2.gz UXSZIACVGVQVTP-HSZRJFAPSA-N 0 1 490.077 4.534 20 0 JJADMN COc1ccc(NC(=O)C(C)(C)c2ccc(C)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC001457501562 1066844249 /nfs/dbraw/zinc/84/42/49/1066844249.db2.gz AIRMTNWNWNUCNZ-UHFFFAOYSA-N 0 1 456.539 4.860 20 0 JJADMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ocnc1C1CC1 ZINC001457505725 1066845530 /nfs/dbraw/zinc/84/55/30/1066845530.db2.gz XQZLNZFXKJMEBF-UHFFFAOYSA-N 0 1 452.319 4.912 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)C1 ZINC001457553197 1066859876 /nfs/dbraw/zinc/85/98/76/1066859876.db2.gz HNPUVMXQBCLPBY-IEBWSBKVSA-N 0 1 481.984 4.789 20 0 JJADMN CCN(CC)[C@H](C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797927 1066860197 /nfs/dbraw/zinc/86/01/97/1066860197.db2.gz JLARANCRCCNJHB-AOIWGVFYSA-N 0 1 454.455 4.688 20 0 JJADMN CCN(CC)[C@H](C(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797933 1066860328 /nfs/dbraw/zinc/86/03/28/1066860328.db2.gz JLARANCRCCNJHB-JENIJYKNSA-N 0 1 454.455 4.688 20 0 JJADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001457558352 1066860550 /nfs/dbraw/zinc/86/05/50/1066860550.db2.gz UYQMMBKEQGJEIO-AWEZNQCLSA-N 0 1 451.792 4.970 20 0 JJADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457565294 1066863583 /nfs/dbraw/zinc/86/35/83/1066863583.db2.gz ILMJBRSTYZLDAT-FRRDWIJNSA-N 0 1 459.805 4.634 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001457585402 1066872098 /nfs/dbraw/zinc/87/20/98/1066872098.db2.gz RMFHIDFQVPJRNT-QGTPRVQTSA-N 0 1 459.978 4.879 20 0 JJADMN O=C(OCc1ccccc1)[C@H](CNC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001447921788 1066877568 /nfs/dbraw/zinc/87/75/68/1066877568.db2.gz RCQRMUNIEUOTCX-KAYWLYCHSA-N 0 1 456.586 4.685 20 0 JJADMN O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001447921792 1066877623 /nfs/dbraw/zinc/87/76/23/1066877623.db2.gz RCQRMUNIEUOTCX-RRPNLBNLSA-N 0 1 456.586 4.685 20 0 JJADMN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC001457617091 1066880249 /nfs/dbraw/zinc/88/02/49/1066880249.db2.gz XWNWJEHMSXEWOL-UHFFFAOYSA-N 0 1 452.511 4.773 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC001447956313 1066882119 /nfs/dbraw/zinc/88/21/19/1066882119.db2.gz BWHFGMCFYSAACF-LPHOPBHVSA-N 0 1 457.537 4.556 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC3(CCCCC3)C2)ccc1C ZINC001457621902 1066882724 /nfs/dbraw/zinc/88/27/24/1066882724.db2.gz VSYGTTBEIQQJSA-UHFFFAOYSA-N 0 1 456.608 4.991 20 0 JJADMN CC(C)C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1ccc(Cl)cc1 ZINC001448007370 1066890051 /nfs/dbraw/zinc/89/00/51/1066890051.db2.gz LQEXKETUFQZVGI-FQEVSTJZSA-N 0 1 458.971 4.699 20 0 JJADMN CC[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC001457650757 1066890278 /nfs/dbraw/zinc/89/02/78/1066890278.db2.gz NQQLJENIOWJDJJ-QAPCUYQASA-N 0 1 450.988 4.848 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021115 1066891041 /nfs/dbraw/zinc/89/10/41/1066891041.db2.gz FKPDNORCBXRVAX-NHCUHLMSSA-N 0 1 456.455 4.967 20 0 JJADMN CO[C@@H](CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl)C(C)C ZINC001457672539 1066894924 /nfs/dbraw/zinc/89/49/24/1066894924.db2.gz WZDNZHQKUGZLPQ-SFHVURJKSA-N 0 1 459.395 4.503 20 0 JJADMN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc(Br)c(O)c1 ZINC001457709064 1066901225 /nfs/dbraw/zinc/90/12/25/1066901225.db2.gz MKDFWIIADGFZQA-UHFFFAOYSA-N 0 1 450.161 4.937 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC001448123642 1066902117 /nfs/dbraw/zinc/90/21/17/1066902117.db2.gz OUUQOIRFEAUCCM-SECBINFHSA-N 0 1 453.134 4.588 20 0 JJADMN Cc1sc2nc(CCC(=O)Nc3cc(Br)cc(Cl)c3O)[nH]c(=O)c2c1C ZINC001457736287 1066907049 /nfs/dbraw/zinc/90/70/49/1066907049.db2.gz SLFCSIMZNWDUMH-UHFFFAOYSA-N 0 1 456.749 4.707 20 0 JJADMN CC[C@@H](CN(C)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Oc1ccc(Cl)c(Cl)c1 ZINC001457745909 1066909870 /nfs/dbraw/zinc/90/98/70/1066909870.db2.gz QXZKKYSEWACCJB-LBPRGKRZSA-N 0 1 452.363 4.861 20 0 JJADMN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCCN3CCC[C@@H]3C)cc12 ZINC001457775043 1066917022 /nfs/dbraw/zinc/91/70/22/1066917022.db2.gz UVMQJQBDAYMWQX-ZDUSSCGKSA-N 0 1 451.423 4.975 20 0 JJADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC001457790567 1066921173 /nfs/dbraw/zinc/92/11/73/1066921173.db2.gz WSITVQCTKMRCNK-DCGLDWPTSA-N 0 1 454.402 4.647 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(CC)onc1-c1ccccc1 ZINC001457789648 1066921347 /nfs/dbraw/zinc/92/13/47/1066921347.db2.gz OTXMDJXOVFBHPG-OAQYLSRUSA-N 0 1 458.562 4.757 20 0 JJADMN Cc1nnc(SCCC(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)[nH]1 ZINC001448413899 1066925618 /nfs/dbraw/zinc/92/56/18/1066925618.db2.gz KSGJFPBZIVMPKP-UHFFFAOYSA-N 0 1 451.321 4.928 20 0 JJADMN CC(C)OCc1cc(NC(=O)c2ccc(-n3[nH]c(Cc4ccccc4)cc3=O)cc2)ccc1O ZINC001457852025 1066932199 /nfs/dbraw/zinc/93/21/99/1066932199.db2.gz HYTIMJVKHLUVPW-UHFFFAOYSA-N 0 1 457.530 4.905 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3CC(C)C)ccc2Cl)cc1 ZINC001457853528 1066932409 /nfs/dbraw/zinc/93/24/09/1066932409.db2.gz NPCOQVDLVUOXGB-OXQOHEQNSA-N 0 1 450.988 4.704 20 0 JJADMN Cc1ccc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1NC(=O)NC(C)(C)C ZINC001448498424 1066933430 /nfs/dbraw/zinc/93/34/30/1066933430.db2.gz AOJVVAFDEPOEGM-IBGZPJMESA-N 0 1 451.615 4.973 20 0 JJADMN COCCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC001457873165 1066934587 /nfs/dbraw/zinc/93/45/87/1066934587.db2.gz XURFLVUIMWQSGR-UHFFFAOYSA-N 0 1 459.395 4.601 20 0 JJADMN CC[N@H+](C)[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617163 1066942452 /nfs/dbraw/zinc/94/24/52/1066942452.db2.gz BPSFVQJUIWFTBT-HSZRJFAPSA-N 0 1 455.555 4.566 20 0 JJADMN CC[N@@H+](C)[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617163 1066942459 /nfs/dbraw/zinc/94/24/59/1066942459.db2.gz BPSFVQJUIWFTBT-HSZRJFAPSA-N 0 1 455.555 4.566 20 0 JJADMN Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cnn1C1CCCC1 ZINC001448624571 1066944798 /nfs/dbraw/zinc/94/47/98/1066944798.db2.gz ZQZGJDVXAJCZQT-UHFFFAOYSA-N 0 1 456.543 4.807 20 0 JJADMN Cc1[nH]c(SCC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)nc1Cc1ccccc1 ZINC001457945511 1066945124 /nfs/dbraw/zinc/94/51/24/1066945124.db2.gz DNJJMLRMESSQAA-IBGZPJMESA-N 0 1 450.391 4.558 20 0 JJADMN Cc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)N(C)C ZINC001492775969 1066946518 /nfs/dbraw/zinc/94/65/18/1066946518.db2.gz NLNBNWSPOCDNOG-OALUTQOASA-N 0 1 466.424 4.860 20 0 JJADMN C[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001458000127 1066955436 /nfs/dbraw/zinc/95/54/36/1066955436.db2.gz LSPHVGHUNCKRLL-ZFGGDYGUSA-N 0 1 451.611 4.764 20 0 JJADMN C[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC001458000127 1066955445 /nfs/dbraw/zinc/95/54/45/1066955445.db2.gz LSPHVGHUNCKRLL-ZFGGDYGUSA-N 0 1 451.611 4.764 20 0 JJADMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)NCCN1CC=CCC1 ZINC001448783415 1066957571 /nfs/dbraw/zinc/95/75/71/1066957571.db2.gz ILKXMEMUUXVSGE-MQSCRBSSSA-N 0 1 458.668 4.774 20 0 JJADMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N(C)c1cccc2c1CCCN2 ZINC001448802847 1066958477 /nfs/dbraw/zinc/95/84/77/1066958477.db2.gz WVPLTLNADKGEIB-UHFFFAOYSA-N 0 1 453.539 4.570 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]ncc2C(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1 ZINC001448807826 1066959086 /nfs/dbraw/zinc/95/90/86/1066959086.db2.gz BAQHTLAISNJUER-GOSISDBHSA-N 0 1 456.974 4.717 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c1 ZINC001448840162 1066962207 /nfs/dbraw/zinc/96/22/07/1066962207.db2.gz HPZPNFCWQDLZSM-NRFANRHFSA-N 0 1 450.560 4.896 20 0 JJADMN CCOC(=O)[C@@H]1CCCN(CC(=O)N(CC)[C@@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702465 1066965323 /nfs/dbraw/zinc/96/53/23/1066965323.db2.gz DADDWUBJKSBORR-GBXCKJPGSA-N 0 1 452.595 4.547 20 0 JJADMN O=C(CCC(=O)c1cc(Cl)sc1Cl)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001448920949 1066969995 /nfs/dbraw/zinc/96/99/95/1066969995.db2.gz KNKNOROGNDFGMY-UHFFFAOYSA-N 0 1 457.345 4.939 20 0 JJADMN CC(C)C[C@@](C)(NC(=O)C1CCC(N2CCOCC2)CC1)c1cccc(Br)c1 ZINC001448930721 1066971587 /nfs/dbraw/zinc/97/15/87/1066971587.db2.gz AIWWFMNXSCSQHZ-PSGUAHCZSA-N 0 1 451.449 4.718 20 0 JJADMN CCOc1ccc2nc(Sc3ncnc(CC(C)C)c3I)[nH]c2c1 ZINC001458093924 1066973205 /nfs/dbraw/zinc/97/32/05/1066973205.db2.gz OXIZXCZQJVNDRC-UHFFFAOYSA-N 0 1 454.337 4.706 20 0 JJADMN CCN(CC)[C@@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)c1ccc(C(F)(F)F)cc1 ZINC001458129942 1066984383 /nfs/dbraw/zinc/98/43/83/1066984383.db2.gz HPYCREMAFYMFMO-KRWDZBQOSA-N 0 1 459.921 4.888 20 0 JJADMN COc1ccccc1C(=O)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC001449128870 1066984657 /nfs/dbraw/zinc/98/46/57/1066984657.db2.gz FTEOBTDVCAGDFQ-UHFFFAOYSA-N 0 1 459.285 4.781 20 0 JJADMN 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CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001545849946 1067204713 /nfs/dbraw/zinc/20/47/13/1067204713.db2.gz XAUYDSPBKYTWPH-BKSPAHHJSA-N 0 1 480.701 4.516 20 0 JJADMN Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)ccc1Br ZINC001458953975 1067207461 /nfs/dbraw/zinc/20/74/61/1067207461.db2.gz ARNQEIYWEIJKSA-JTQLQIEISA-N 0 1 453.312 4.940 20 0 JJADMN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CC1 ZINC001452144628 1067209378 /nfs/dbraw/zinc/20/93/78/1067209378.db2.gz IWUNIAAVCAXFLK-UHFFFAOYSA-N 0 1 453.461 4.559 20 0 JJADMN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)N(C)C)C1 ZINC001546106163 1067241926 /nfs/dbraw/zinc/24/19/26/1067241926.db2.gz LJUSOKRKMFKYFT-NRFANRHFSA-N 0 1 467.614 4.875 20 0 JJADMN CC(C)c1nc(CC2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)n[nH]1 ZINC001452735491 1067247591 /nfs/dbraw/zinc/24/75/91/1067247591.db2.gz MFXSYRYOKFPOPB-UHFFFAOYSA-N 0 1 452.505 4.532 20 0 JJADMN CC(C)c1nnc(CC2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)[nH]1 ZINC001452735491 1067247595 /nfs/dbraw/zinc/24/75/95/1067247595.db2.gz MFXSYRYOKFPOPB-UHFFFAOYSA-N 0 1 452.505 4.532 20 0 JJADMN CC(C)c1nc(CC2CCN(C(=O)CN(Cc3ccco3)c3cccc(Cl)c3)CC2)n[nH]1 ZINC001452735995 1067247626 /nfs/dbraw/zinc/24/76/26/1067247626.db2.gz KBAFUFPVWGXFKL-UHFFFAOYSA-N 0 1 455.990 4.662 20 0 JJADMN CC(C)c1nnc(CC2CCN(C(=O)CN(Cc3ccco3)c3cccc(Cl)c3)CC2)[nH]1 ZINC001452735995 1067247631 /nfs/dbraw/zinc/24/76/31/1067247631.db2.gz KBAFUFPVWGXFKL-UHFFFAOYSA-N 0 1 455.990 4.662 20 0 JJADMN COc1cccc(N2CCN(CCS[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001459253506 1067277653 /nfs/dbraw/zinc/27/76/53/1067277653.db2.gz XLEZRJSOTVOPNP-HXUWFJFHSA-N 0 1 455.668 4.875 20 0 JJADMN COc1cccc(-c2nc(CSCCN3CCN(c4cccc(OC)c4)CC3)cs2)c1 ZINC001459253735 1067277833 /nfs/dbraw/zinc/27/78/33/1067277833.db2.gz ZJEPAHNKZMDTOW-UHFFFAOYSA-N 0 1 455.649 4.883 20 0 JJADMN C[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1cc2ccccc2o1 ZINC001453125561 1067281443 /nfs/dbraw/zinc/28/14/43/1067281443.db2.gz KATYDVHFQFCGDI-CCKFTAQKSA-N 0 1 462.443 4.739 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(CN4CCCCC4)o3)CC2)C1 ZINC001453320519 1067297260 /nfs/dbraw/zinc/29/72/60/1067297260.db2.gz CXANRBMGAPGBOK-NRFANRHFSA-N 0 1 459.631 4.765 20 0 JJADMN O=C(NCc1cc(Cl)ccc1I)c1cccc(C(F)(F)F)c1O ZINC001453349774 1067300043 /nfs/dbraw/zinc/30/00/43/1067300043.db2.gz VMTKVKXZTOEHRC-UHFFFAOYSA-N 0 1 455.601 4.599 20 0 JJADMN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)c3cc(-c4cccs4)n[nH]3)cc2)C1 ZINC001453396693 1067303500 /nfs/dbraw/zinc/30/35/00/1067303500.db2.gz HNVXMUXHZZUXAE-LJQANCHMSA-N 0 1 454.552 4.699 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@@H](c4cccc(F)c4)OCC3(C)C)n[nH]2)c1C ZINC001453480021 1067308146 /nfs/dbraw/zinc/30/81/46/1067308146.db2.gz RWYOZAGCTHEZAQ-QRQCRPRQSA-N 0 1 453.562 4.992 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CCN1Cc1ccccc1 ZINC001453496719 1067309414 /nfs/dbraw/zinc/30/94/14/1067309414.db2.gz NVIALTXBMLWMRQ-DEOSSOPVSA-N 0 1 451.611 4.945 20 0 JJADMN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001459394926 1067312559 /nfs/dbraw/zinc/31/25/59/1067312559.db2.gz ZVSXOSJWKZXBKY-WZONZLPQSA-N 0 1 452.599 4.673 20 0 JJADMN O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1cc(Br)cc(F)c1O ZINC001453552915 1067314470 /nfs/dbraw/zinc/31/44/70/1067314470.db2.gz FAHNMQKWCGRSLQ-UHFFFAOYSA-N 0 1 457.137 4.809 20 0 JJADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccccc2)no1 ZINC001459410892 1067316044 /nfs/dbraw/zinc/31/60/44/1067316044.db2.gz GYTFFNVQRYHGIL-QGZVFWFLSA-N 0 1 455.580 4.780 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3n[nH]c(C(F)(F)F)c3-c3ccccc3)[nH]n2)cc1OC ZINC001453777101 1067329294 /nfs/dbraw/zinc/32/92/94/1067329294.db2.gz WXDPEECLKOZVBH-UHFFFAOYSA-N 0 1 457.412 4.755 20 0 JJADMN Cc1cc(CN(C)[C@@H]2CCN(C3CCOCC3)C2=O)cc(C)c1OCc1ccccc1Cl ZINC001459506801 1067340663 /nfs/dbraw/zinc/34/06/63/1067340663.db2.gz YYBCABQVOBKICM-XMMPIXPASA-N 0 1 457.014 4.748 20 0 JJADMN CO[C@]1(C)C[C@H](N(C)CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554998 1067350234 /nfs/dbraw/zinc/35/02/34/1067350234.db2.gz BIIQKKQNURAQCK-HLULCQHTSA-N 0 1 451.611 4.594 20 0 JJADMN O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604568 1067361426 /nfs/dbraw/zinc/36/14/26/1067361426.db2.gz AJWBHFHNGVZOQO-IEBWSBKVSA-N 0 1 456.530 4.631 20 0 JJADMN Cc1cc(NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611898 1067363742 /nfs/dbraw/zinc/36/37/42/1067363742.db2.gz YTSTVFXNNKGQGR-SFTDATJTSA-N 0 1 456.587 4.688 20 0 JJADMN Cc1cc(NC(=O)[C@@H](C)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1Br ZINC001459636819 1067369558 /nfs/dbraw/zinc/36/95/58/1067369558.db2.gz QDPMLWXWNPQGTI-OAHLLOKOSA-N 0 1 456.425 4.567 20 0 JJADMN O=C(Nc1ccccc1Br)C1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001459667049 1067376669 /nfs/dbraw/zinc/37/66/69/1067376669.db2.gz RLQCHEDWYIFLRH-UHFFFAOYSA-N 0 1 453.384 4.545 20 0 JJADMN COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001459681459 1067382092 /nfs/dbraw/zinc/38/20/92/1067382092.db2.gz VDQWRMLSJRLNNJ-UHFFFAOYSA-N 0 1 452.467 4.535 20 0 JJADMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001459681838 1067382291 /nfs/dbraw/zinc/38/22/91/1067382291.db2.gz CUHRSBQSOIFUAW-UHFFFAOYSA-N 0 1 454.259 4.813 20 0 JJADMN COc1cc(N[C@H]2CCCN(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)cc(OC)c1 ZINC001459696238 1067386588 /nfs/dbraw/zinc/38/65/88/1067386588.db2.gz RNCIGGJEVWMEAT-NRFANRHFSA-N 0 1 457.590 4.547 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C2(CCCCC2)C1 ZINC001459696988 1067386843 /nfs/dbraw/zinc/38/68/43/1067386843.db2.gz JRGIWSDPDVGUBG-LJQANCHMSA-N 0 1 456.549 4.864 20 0 JJADMN CCCCn1c(CN2CCC[C@@H](C)[C@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706943 1067390001 /nfs/dbraw/zinc/39/00/01/1067390001.db2.gz BZFYRUVJKFATEI-TZIWHRDSSA-N 0 1 451.615 4.548 20 0 JJADMN O=C(Nc1cccc(Br)c1)C1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC001459712459 1067391939 /nfs/dbraw/zinc/39/19/39/1067391939.db2.gz DOPAUKWBNKKEEN-IBGZPJMESA-N 0 1 455.755 4.626 20 0 JJADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001459712935 1067392337 /nfs/dbraw/zinc/39/23/37/1067392337.db2.gz HLTAVKQUFSGVIS-UHFFFAOYSA-N 0 1 458.393 4.617 20 0 JJADMN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1-n1cncn1 ZINC001459756016 1067408510 /nfs/dbraw/zinc/40/85/10/1067408510.db2.gz ZGWHSDKJFDEKLV-UHFFFAOYSA-N 0 1 451.880 4.789 20 0 JJADMN CCn1c(CN[C@@H](c2ccccc2)C2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001459770796 1067415012 /nfs/dbraw/zinc/41/50/12/1067415012.db2.gz QPVBBAXBSJWSTL-VWLOTQADSA-N 0 1 454.640 4.718 20 0 JJADMN CCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001459771839 1067415560 /nfs/dbraw/zinc/41/55/60/1067415560.db2.gz MGDJCKZFEDQQEP-FQEVSTJZSA-N 0 1 452.595 4.547 20 0 JJADMN CCC[C@@H]1CN(CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CCN1CCOC ZINC001459783561 1067420567 /nfs/dbraw/zinc/42/05/67/1067420567.db2.gz CMSIJBIOOJPNDP-HSZRJFAPSA-N 0 1 455.668 4.826 20 0 JJADMN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(OC)c(OC)c2)C2CCCCC2)cc1 ZINC001459786947 1067422215 /nfs/dbraw/zinc/42/22/15/1067422215.db2.gz RXRCFMUYPXFQRE-UHFFFAOYSA-N 0 1 454.567 4.654 20 0 JJADMN O[C@H](COc1ccccc1C(F)(F)F)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790042 1067423356 /nfs/dbraw/zinc/42/33/56/1067423356.db2.gz ZKKJHUSHDZXZJE-OLZOCXBDSA-N 0 1 454.436 4.800 20 0 JJADMN COc1cccc([C@@H](C)NCC(=O)Nc2c(Br)cc(C)cc2Br)c1 ZINC001459837010 1067446808 /nfs/dbraw/zinc/44/68/08/1067446808.db2.gz CYWHVMLFMMYFIV-GFCCVEGCSA-N 0 1 456.178 4.818 20 0 JJADMN CC[C@@H](N[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837888 1067446893 /nfs/dbraw/zinc/44/68/93/1067446893.db2.gz WNZCCNIOEGBOEZ-FZKQIMNGSA-N 0 1 459.518 4.927 20 0 JJADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843959 1067450633 /nfs/dbraw/zinc/45/06/33/1067450633.db2.gz YVADTEZDBSFYFJ-IIBYNOLFSA-N 0 1 458.400 4.871 20 0 JJADMN Cc1nc(-c2ccc([C@H](C)NCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)cs1 ZINC001459845826 1067451429 /nfs/dbraw/zinc/45/14/29/1067451429.db2.gz ZHKUSLYRYCLAQY-AWEZNQCLSA-N 0 1 452.971 4.642 20 0 JJADMN CN(C)c1ncc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC001459848976 1067454110 /nfs/dbraw/zinc/45/41/10/1067454110.db2.gz VOWFWWBHHAOZRO-QFIPXVFZSA-N 0 1 456.512 4.773 20 0 JJADMN CCOC(=O)C1=C(CN[C@@H](c2ccccc2C)C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459850087 1067455075 /nfs/dbraw/zinc/45/50/75/1067455075.db2.gz NASRGFJXJXYMMQ-PKTZIBPZSA-N 0 1 455.986 4.806 20 0 JJADMN O=C1[C@H](N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850094 1067455102 /nfs/dbraw/zinc/45/51/02/1067455102.db2.gz NELFJFGBUJAGSZ-FGZHOGPDSA-N 0 1 451.369 4.786 20 0 JJADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865753 1067463691 /nfs/dbraw/zinc/46/36/91/1067463691.db2.gz YROVUKJTIHHNLX-GJZGRUSLSA-N 0 1 450.377 4.839 20 0 JJADMN C[C@@H](NCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868960 1067465689 /nfs/dbraw/zinc/46/56/89/1067465689.db2.gz RTCBTXGBFPYZGN-PIIWDFAUSA-N 0 1 459.565 4.851 20 0 JJADMN CCOC(=O)c1ccc(NC(=O)CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC001459869720 1067466319 /nfs/dbraw/zinc/46/63/19/1067466319.db2.gz WFDCIPGTPKIKCB-XMMPIXPASA-N 0 1 450.510 4.523 20 0 JJADMN COc1cc(C)c([C@H](C)NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2F)cc1OC ZINC001459885482 1067473010 /nfs/dbraw/zinc/47/30/10/1067473010.db2.gz NLCOHWKEOHXDFT-CYFREDJKSA-N 0 1 450.554 4.902 20 0 JJADMN CC[C@H]1CN(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459893111 1067476367 /nfs/dbraw/zinc/47/63/67/1067476367.db2.gz UAHNTHFMQKRCQN-URXFXBBRSA-N 0 1 457.659 4.926 20 0 JJADMN CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546112590 1067480683 /nfs/dbraw/zinc/48/06/83/1067480683.db2.gz XFVQGKDFZNCSFM-SFTDATJTSA-N 0 1 473.637 4.512 20 0 JJADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)N[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC001459903703 1067481371 /nfs/dbraw/zinc/48/13/71/1067481371.db2.gz LYBCJTPGZMWQKH-DZGCQCFKSA-N 0 1 454.983 4.796 20 0 JJADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC001459906074 1067483041 /nfs/dbraw/zinc/48/30/41/1067483041.db2.gz NECUAUCWYHCHHG-CYBMUJFWSA-N 0 1 455.381 4.740 20 0 JJADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459907231 1067483628 /nfs/dbraw/zinc/48/36/28/1067483628.db2.gz YVOUNAZVNFGUQU-SFHVURJKSA-N 0 1 452.599 4.565 20 0 JJADMN CC(C)(C)c1ccc(S(=O)(=O)CCNC(C)(C)COc2ncccc2C(F)(F)F)cc1 ZINC001459935570 1067498480 /nfs/dbraw/zinc/49/84/80/1067498480.db2.gz WMMNCJYQXXFUNY-UHFFFAOYSA-N 0 1 458.546 4.619 20 0 JJADMN Cc1cc(Br)c(C(=O)N(C)CCCN(C)Cc2ccco2)cc1Br ZINC001459939061 1067499623 /nfs/dbraw/zinc/49/96/23/1067499623.db2.gz HIZVEJBDTYSNIX-UHFFFAOYSA-N 0 1 458.194 4.707 20 0 JJADMN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN[C@@](C)(CO)c3ccccc3)nc2c1C ZINC001459959313 1067507599 /nfs/dbraw/zinc/50/75/99/1067507599.db2.gz DZEZDGLTCZSHTP-MHZLTWQESA-N 0 1 459.615 4.944 20 0 JJADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001459978264 1067513643 /nfs/dbraw/zinc/51/36/43/1067513643.db2.gz CVTZFERDLZWLPB-YKSBVNFPSA-N 0 1 459.428 4.978 20 0 JJADMN O=C(CN[C@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459999887 1067521433 /nfs/dbraw/zinc/52/14/33/1067521433.db2.gz VGTVNCXYBQNJTD-SFHVURJKSA-N 0 1 457.246 4.589 20 0 JJADMN COc1ccc(C(NC(=O)CN[C@H](C)c2ccc(SC)cc2)c2ccc(OC)cc2)cc1 ZINC001460005187 1067523556 /nfs/dbraw/zinc/52/35/56/1067523556.db2.gz JRGMIKOMCDGMEH-GOSISDBHSA-N 0 1 450.604 4.982 20 0 JJADMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1 ZINC001460035164 1067535722 /nfs/dbraw/zinc/53/57/22/1067535722.db2.gz AOFPTMLFHAVQNW-UHFFFAOYSA-N 0 1 458.436 4.983 20 0 JJADMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC001460041501 1067536488 /nfs/dbraw/zinc/53/64/88/1067536488.db2.gz SGJBPPAAFRUFBA-FQEVSTJZSA-N 0 1 458.400 4.566 20 0 JJADMN FC(F)(F)c1ccc(C[C@@]2(NCc3cc4c(cc3Br)OCO4)CCOC2)cc1 ZINC001460068468 1067545090 /nfs/dbraw/zinc/54/50/90/1067545090.db2.gz IDYIJHOSAZPKHM-IBGZPJMESA-N 0 1 458.274 4.688 20 0 JJADMN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068133 1067545233 /nfs/dbraw/zinc/54/52/33/1067545233.db2.gz DIPZLIZLNYYEBS-APWZRJJASA-N 0 1 457.384 4.690 20 0 JJADMN CN(Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460081661 1067548929 /nfs/dbraw/zinc/54/89/29/1067548929.db2.gz PUTLVFPZONEHSD-LJQANCHMSA-N 0 1 458.427 4.857 20 0 JJADMN CN(Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460083685 1067549400 /nfs/dbraw/zinc/54/94/00/1067549400.db2.gz ZOJLJJHPZUGJAS-GOSISDBHSA-N 0 1 457.290 4.776 20 0 JJADMN O[C@H](CN1CCN(c2ccnc(F)c2)CC1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001460136015 1067562119 /nfs/dbraw/zinc/56/21/19/1067562119.db2.gz QHMWSYDFDDNXBN-JOCHJYFZSA-N 0 1 456.359 4.506 20 0 JJADMN CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155828 1067566567 /nfs/dbraw/zinc/56/65/67/1067566567.db2.gz BRMILBCSABPLIP-PCCBWWKXSA-N 0 1 459.631 4.771 20 0 JJADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)CCc1cccc(Br)c1 ZINC001460169163 1067569064 /nfs/dbraw/zinc/56/90/64/1067569064.db2.gz GZMFRJHDZWUGBR-SFHVURJKSA-N 0 1 455.400 4.753 20 0 JJADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)CCc1cccc(Br)c1 ZINC001460169159 1067569246 /nfs/dbraw/zinc/56/92/46/1067569246.db2.gz GZMFRJHDZWUGBR-GOSISDBHSA-N 0 1 455.400 4.753 20 0 JJADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171837 1067569855 /nfs/dbraw/zinc/56/98/55/1067569855.db2.gz BNRGCUQDQCTNGQ-JKSUJKDBSA-N 0 1 455.580 4.822 20 0 JJADMN CC(C)[C@H](CNC(=O)CN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196263 1067576404 /nfs/dbraw/zinc/57/64/04/1067576404.db2.gz KGBLTTQSLJVIOF-RPWUZVMVSA-N 0 1 457.659 4.511 20 0 JJADMN O=C(CN[C@@H](c1ccccc1)C1(CO)CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001460211518 1067580526 /nfs/dbraw/zinc/58/05/26/1067580526.db2.gz CECAQFUOBYULEX-SANMLTNESA-N 0 1 457.574 4.761 20 0 JJADMN C[C@@H](NC(=O)CN1CCC(Cc2cccc(F)c2F)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001460228646 1067584530 /nfs/dbraw/zinc/58/45/30/1067584530.db2.gz CGNKDDWIUGPDBY-OAHLLOKOSA-N 0 1 456.455 4.995 20 0 JJADMN Cc1sc(NC(=O)CN2CCN(Cc3ccccc3)[C@@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC001460240646 1067589242 /nfs/dbraw/zinc/58/92/42/1067589242.db2.gz MPBFMVJQZRGQOI-KRWDZBQOSA-N 0 1 455.027 4.917 20 0 JJADMN COc1ccc(-c2cc3[n-]c(C[N@H+](C)Cc4ccc(OC)c(Cl)c4)nc(=O)c3s2)cc1 ZINC001460253023 1067591889 /nfs/dbraw/zinc/59/18/89/1067591889.db2.gz ACRISSTZHUEFLO-UHFFFAOYSA-N 0 1 455.967 4.954 20 0 JJADMN COc1ccc(-c2cc3[n-]c(C[N@@H+](C)Cc4ccc(OC)c(Cl)c4)nc(=O)c3s2)cc1 ZINC001460253023 1067591894 /nfs/dbraw/zinc/59/18/94/1067591894.db2.gz ACRISSTZHUEFLO-UHFFFAOYSA-N 0 1 455.967 4.954 20 0 JJADMN COC(=O)[C@@H]1CN(Cc2cc(Br)cc3cccnc32)C[C@H]1c1ccc(F)cc1F ZINC001460277606 1067596081 /nfs/dbraw/zinc/59/60/81/1067596081.db2.gz NBSDYGXQAPEGQM-RBUKOAKNSA-N 0 1 461.306 4.664 20 0 JJADMN CC(C)COc1ncccc1C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001460350578 1067614449 /nfs/dbraw/zinc/61/44/49/1067614449.db2.gz RNTXXIXYNVZKAS-VWLOTQADSA-N 0 1 458.606 4.818 20 0 JJADMN O=C(c1ccc(Br)o1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001460353462 1067615409 /nfs/dbraw/zinc/61/54/09/1067615409.db2.gz ZITJZTQWJYOHBR-HXUWFJFHSA-N 0 1 454.368 4.744 20 0 JJADMN O=C(CN1CCCC[C@@H]1Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001460356175 1067616431 /nfs/dbraw/zinc/61/64/31/1067616431.db2.gz KTEIWQAZNQGKCR-BWKNWUBXSA-N 0 1 458.021 4.829 20 0 JJADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460356997 1067616858 /nfs/dbraw/zinc/61/68/58/1067616858.db2.gz UDNUPTBCAZMSTH-RXVVDRJESA-N 0 1 455.624 4.535 20 0 JJADMN O=C(N[C@H]1CN(Cc2ncc(-c3cccs3)o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460358688 1067617398 /nfs/dbraw/zinc/61/73/98/1067617398.db2.gz ATXGUXZLGDPCSA-HOTGVXAUSA-N 0 1 453.461 4.579 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360595 1067617942 /nfs/dbraw/zinc/61/79/42/1067617942.db2.gz CWMKWJSCJYESRH-DBXWQHBBSA-N 0 1 459.562 4.765 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@H](CN2CCS[C@@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362390 1067618438 /nfs/dbraw/zinc/61/84/38/1067618438.db2.gz OWSONFACWFNPFA-JWQCQUIFSA-N 0 1 452.645 4.805 20 0 JJADMN CCOC(=O)C1C(CN[C@@H](c2ccccc2F)C(C)C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460366387 1067619436 /nfs/dbraw/zinc/61/94/36/1067619436.db2.gz WFQFEMZPQNBQOU-FGZHOGPDSA-N 0 1 459.949 4.637 20 0 JJADMN O=C([N-][C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460368083 1067620055 /nfs/dbraw/zinc/62/00/55/1067620055.db2.gz VIPOKCMLPUYXOZ-FPOVZHCZSA-N 0 1 465.422 4.656 20 0 JJADMN O=C([N-][C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460368083 1067620064 /nfs/dbraw/zinc/62/00/64/1067620064.db2.gz VIPOKCMLPUYXOZ-FPOVZHCZSA-N 0 1 465.422 4.656 20 0 JJADMN O=C([N-][C@H]1C[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460393608 1067625753 /nfs/dbraw/zinc/62/57/53/1067625753.db2.gz REGGFULKLXRYNJ-MUGJNUQGSA-N 0 1 456.430 4.711 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001460402826 1067627273 /nfs/dbraw/zinc/62/72/73/1067627273.db2.gz CAOYVGNETJSKKR-FGZHOGPDSA-N 0 1 455.574 4.764 20 0 JJADMN COC1(c2noc(CC3CCN(Cc4cccc(SC(=O)N(C)C)c4)CC3)n2)CCCC1 ZINC001460487871 1067644169 /nfs/dbraw/zinc/64/41/69/1067644169.db2.gz XPAQTNSKWAGPOW-UHFFFAOYSA-N 0 1 458.628 4.714 20 0 JJADMN C[C@@H](c1ccccc1Br)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001460533815 1067652587 /nfs/dbraw/zinc/65/25/87/1067652587.db2.gz FWSCOZNXTRVHBR-AWEZNQCLSA-N 0 1 456.306 4.965 20 0 JJADMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(Cl)c4s3)cc2)n1 ZINC001460626546 1067676749 /nfs/dbraw/zinc/67/67/49/1067676749.db2.gz OWVXFBYRYJNBIW-UHFFFAOYSA-N 0 1 458.952 4.706 20 0 JJADMN O=C(CN[C@@H](CCO)c1ccc(Cl)c(F)c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001460627938 1067677375 /nfs/dbraw/zinc/67/73/75/1067677375.db2.gz WRQOULVJYQWPTJ-FQEVSTJZSA-N 0 1 458.883 4.702 20 0 JJADMN COC(=O)c1c2c(sc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C[C@H](C)CC2 ZINC001460627209 1067677469 /nfs/dbraw/zinc/67/74/69/1067677469.db2.gz RDFBNDRLWDGZJQ-ZXNZOMRRSA-N 0 1 480.989 4.510 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647539 1067685359 /nfs/dbraw/zinc/68/53/59/1067685359.db2.gz ACEYUVUWDQNDRO-ZEQKJWHPSA-N 0 1 458.549 4.743 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3cc(=O)oc4cc(C)ccc34)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651513 1067687193 /nfs/dbraw/zinc/68/71/93/1067687193.db2.gz NDHHPSMOKVPHTH-XZOQPEGZSA-N 0 1 464.562 4.603 20 0 JJADMN CCOc1ccc(-c2nc(C(=O)Nc3cccc(NC(=O)CN(CC)CC)c3)cs2)cc1 ZINC001460657490 1067690732 /nfs/dbraw/zinc/69/07/32/1067690732.db2.gz ZRVZTCBLOGYDAR-UHFFFAOYSA-N 0 1 452.580 4.741 20 0 JJADMN CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659420 1067691399 /nfs/dbraw/zinc/69/13/99/1067691399.db2.gz HQPXIRFDOREJIS-ATIYNZHBSA-N 0 1 451.588 4.623 20 0 JJADMN CS(=O)(=O)c1ccc([C@@H](O)CN2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659426 1067691512 /nfs/dbraw/zinc/69/15/12/1067691512.db2.gz HQPXIRFDOREJIS-NVQXNPDNSA-N 0 1 451.588 4.623 20 0 JJADMN COC(=O)c1c(NC(=O)CN[C@@H](C)c2cccc(OC(F)(F)F)c2)sc2c1CCCC2 ZINC001460747961 1067714858 /nfs/dbraw/zinc/71/48/58/1067714858.db2.gz XIJMHYMYDSAOFI-LBPRGKRZSA-N 0 1 456.486 4.601 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747919 1067715179 /nfs/dbraw/zinc/71/51/79/1067715179.db2.gz XFJPOJDNELCXQP-QRWLVFNGSA-N 0 1 452.473 4.617 20 0 JJADMN Cc1ccc(CN(C(=O)C[N@H+]2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C2CC2)cc1 ZINC001460778272 1067721405 /nfs/dbraw/zinc/72/14/05/1067721405.db2.gz NYGCPOMJNXSUEA-MHZLTWQESA-N 0 1 455.643 4.599 20 0 JJADMN C[C@H](N[C@@H]1CCc2c1cccc2F)C(=O)Nc1ccc(Br)cc1Br ZINC001460789670 1067723964 /nfs/dbraw/zinc/72/39/64/1067723964.db2.gz CWLNMHPIXXAAOD-MGPLVRAMSA-N 0 1 456.153 4.955 20 0 JJADMN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN[C@@H](C)c2c(F)cccc2F)cc1 ZINC001460808728 1067727851 /nfs/dbraw/zinc/72/78/51/1067727851.db2.gz HJBNCQOGOAPOMF-INIZCTEOSA-N 0 1 453.489 4.905 20 0 JJADMN CN(C(=O)Cn1c2ccccc2nc1Cc1ccccc1)C1CCN(CCC(F)(F)F)CC1 ZINC001460855514 1067735214 /nfs/dbraw/zinc/73/52/14/1067735214.db2.gz NOCSRVWMGOKXHH-UHFFFAOYSA-N 0 1 458.528 4.502 20 0 JJADMN CN(C(=O)CSCc1ccc(Br)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC001460855892 1067735534 /nfs/dbraw/zinc/73/55/34/1067735534.db2.gz QDXPSKUDMXKFFZ-UHFFFAOYSA-N 0 1 453.368 4.558 20 0 JJADMN CC[C@]1(C(=O)OC(C)(C)C)CCCN(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871510 1067739572 /nfs/dbraw/zinc/73/95/72/1067739572.db2.gz PEXXLDXAUULOTN-AOMKIAJQSA-N 0 1 458.521 4.596 20 0 JJADMN C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460879807 1067741357 /nfs/dbraw/zinc/74/13/57/1067741357.db2.gz BWWDJHVXLDCOIP-MEKIYTOJSA-N 0 1 472.029 4.638 20 0 JJADMN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC001460930762 1067749950 /nfs/dbraw/zinc/74/99/50/1067749950.db2.gz BQQDOSIBUXXPQK-IBGZPJMESA-N 0 1 451.592 4.518 20 0 JJADMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@@H]1C ZINC001460936889 1067750932 /nfs/dbraw/zinc/75/09/32/1067750932.db2.gz HTWIYIBXTSPYQT-MTVYNVTBSA-N 0 1 454.636 4.520 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2cc(Cl)cc3ccccc32)CC1 ZINC001460986574 1067757652 /nfs/dbraw/zinc/75/76/52/1067757652.db2.gz PHFHXKREEPHMBB-QFIPXVFZSA-N 0 1 458.002 4.537 20 0 JJADMN COc1cc(CNCc2ccnc(OCC(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC001461049272 1067769547 /nfs/dbraw/zinc/76/95/47/1067769547.db2.gz URZXFDQXSZDKOJ-UHFFFAOYSA-N 0 1 451.445 4.505 20 0 JJADMN CC[C@@H](C)NC(=O)c1cccc(CNCc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001461054189 1067771094 /nfs/dbraw/zinc/77/10/94/1067771094.db2.gz DGKDSHSCJRZAGB-QGZVFWFLSA-N 0 1 457.640 4.859 20 0 JJADMN O=C(c1ccc(Br)cc1Br)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001461055378 1067771456 /nfs/dbraw/zinc/77/14/56/1067771456.db2.gz VITQGARYVACAKD-BEFAXECRSA-N 0 1 464.201 4.558 20 0 JJADMN CC(C)c1nc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)nn1-c1ccccc1Cl ZINC001461063924 1067773846 /nfs/dbraw/zinc/77/38/46/1067773846.db2.gz SHDSZMWMEXYIOV-UHFFFAOYSA-N 0 1 459.019 4.910 20 0 JJADMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001461130737 1067787009 /nfs/dbraw/zinc/78/70/09/1067787009.db2.gz WYQZENYEZRCDTR-UHFFFAOYSA-N 0 1 458.952 4.636 20 0 JJADMN COc1cc(Br)c(CNCC2(NC(=O)OC(C)(C)C)CCCCC2)cc1OC ZINC001461135631 1067787527 /nfs/dbraw/zinc/78/75/27/1067787527.db2.gz BJEIIIOISAYZDP-UHFFFAOYSA-N 0 1 457.409 4.784 20 0 JJADMN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCNC(=O)c1cccs1 ZINC001461166850 1067791746 /nfs/dbraw/zinc/79/17/46/1067791746.db2.gz OGDNLFSVKDHDMW-UHFFFAOYSA-N 0 1 457.814 4.781 20 0 JJADMN COC(=O)c1cc(CN[C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)n(C)c1C ZINC001461190081 1067796136 /nfs/dbraw/zinc/79/61/36/1067796136.db2.gz NTDGKTLJDUWBIC-QFIPXVFZSA-N 0 1 457.368 4.770 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H](NCc1cc(Br)sc1Br)C1CC1 ZINC001461237217 1067806921 /nfs/dbraw/zinc/80/69/21/1067806921.db2.gz XAEADWOKWURFHL-NSHDSACASA-N 0 1 454.228 4.666 20 0 JJADMN CCOc1cc(CN[C@H](c2ccc(F)cc2F)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC001461257615 1067812116 /nfs/dbraw/zinc/81/21/16/1067812116.db2.gz ZMSPNHOLGLEMOU-SANMLTNESA-N 0 1 458.549 4.996 20 0 JJADMN O=C(OCc1ccccc1)c1cc(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c[nH]1 ZINC001461262522 1067813500 /nfs/dbraw/zinc/81/35/00/1067813500.db2.gz MBQSQQQONVXHQP-NRFANRHFSA-N 0 1 452.860 4.565 20 0 JJADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461282019 1067817661 /nfs/dbraw/zinc/81/76/61/1067817661.db2.gz BDDDNRMHJRHLFB-AWEZNQCLSA-N 0 1 456.509 4.545 20 0 JJADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461282020 1067817680 /nfs/dbraw/zinc/81/76/80/1067817680.db2.gz BDDDNRMHJRHLFB-CQSZACIVSA-N 0 1 456.509 4.545 20 0 JJADMN CCOCCOc1cc(C)ccc1CNCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001461287651 1067818435 /nfs/dbraw/zinc/81/84/35/1067818435.db2.gz OWBRYTQXSJGTOW-UHFFFAOYSA-N 0 1 454.611 4.993 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)cn1 ZINC001461317003 1067826625 /nfs/dbraw/zinc/82/66/25/1067826625.db2.gz WQGDVXLCUUHXSC-UHFFFAOYSA-N 0 1 453.587 4.855 20 0 JJADMN Cc1ccc(Cl)cc1Oc1ccccc1CNCCN(C)S(=O)(=O)c1cccs1 ZINC001461356992 1067837312 /nfs/dbraw/zinc/83/73/12/1067837312.db2.gz LWQACFNGFPDVIV-UHFFFAOYSA-N 0 1 451.013 4.913 20 0 JJADMN CC(C)(C)OC(=O)NC1(CNCc2cc(Br)sc2Br)CCC1 ZINC001461382399 1067843199 /nfs/dbraw/zinc/84/31/99/1067843199.db2.gz WKZLIFSCYRLNKF-UHFFFAOYSA-N 0 1 454.228 4.810 20 0 JJADMN CCCCOc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001461415512 1067850474 /nfs/dbraw/zinc/85/04/74/1067850474.db2.gz BNIYXWYVVWRAPH-SFTDATJTSA-N 0 1 466.475 4.681 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2ncsc2-c2ccccc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461415551 1067850502 /nfs/dbraw/zinc/85/05/02/1067850502.db2.gz BOYHNWNXYWPXQS-ROUUACIJSA-N 0 1 477.483 4.626 20 0 JJADMN Cc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)c2nccc(C)c2c1 ZINC001461419534 1067851649 /nfs/dbraw/zinc/85/16/49/1067851649.db2.gz OEUYSGXJFJBZTM-RXVVDRJESA-N 0 1 473.470 4.668 20 0 JJADMN Cc1ccc(CCCCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001461420921 1067852645 /nfs/dbraw/zinc/85/26/45/1067852645.db2.gz UEUSVHPRPWLWGL-VXKWHMMOSA-N 0 1 464.503 4.910 20 0 JJADMN O=C1[C@H](NCC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCN1Cc1ccc(F)cc1F ZINC001461436953 1067856313 /nfs/dbraw/zinc/85/63/13/1067856313.db2.gz RVIHYEYXJHVDKJ-HXUWFJFHSA-N 0 1 453.316 4.828 20 0 JJADMN COc1cc(Br)c(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c(OC)c1 ZINC001461445891 1067858503 /nfs/dbraw/zinc/85/85/03/1067858503.db2.gz WOEYJBYWNQKTCL-CYBMUJFWSA-N 0 1 459.306 4.854 20 0 JJADMN COc1cccc(C2(NCc3ccc(OCc4ccncc4)c(OC)c3)CCOCC2)c1F ZINC001461467935 1067864813 /nfs/dbraw/zinc/86/48/13/1067864813.db2.gz WTQCZZHWRWZDMR-UHFFFAOYSA-N 0 1 452.526 4.612 20 0 JJADMN COc1ccc(-c2ccnc(NC(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)n2)cc1 ZINC001461483665 1067871625 /nfs/dbraw/zinc/87/16/25/1067871625.db2.gz IUZBEGKQWOPBTL-QHCPKHFHSA-N 0 1 456.468 4.545 20 0 JJADMN COc1ccc(-c2ccnc(NC(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)n2)cc1 ZINC001461483659 1067871738 /nfs/dbraw/zinc/87/17/38/1067871738.db2.gz IUZBEGKQWOPBTL-HSZRJFAPSA-N 0 1 456.468 4.545 20 0 JJADMN COc1cc(CNCc2cccc(OCC(F)(F)F)n2)ccc1OCc1c(C)noc1C ZINC001461485400 1067872317 /nfs/dbraw/zinc/87/23/17/1067872317.db2.gz KJEHUZOTFCJVFN-UHFFFAOYSA-N 0 1 451.445 4.505 20 0 JJADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2cccc(OC(F)F)c2)C1=O ZINC001461496610 1067876239 /nfs/dbraw/zinc/87/62/39/1067876239.db2.gz XMIWDNDKQMCUTI-SFHVURJKSA-N 0 1 453.327 4.953 20 0 JJADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001461496847 1067876290 /nfs/dbraw/zinc/87/62/90/1067876290.db2.gz VAQRXQUSYWIMFH-INIZCTEOSA-N 0 1 451.514 4.595 20 0 JJADMN O[C@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC001461507947 1067878686 /nfs/dbraw/zinc/87/86/86/1067878686.db2.gz SRIMHRPUVFJWDK-QGZVFWFLSA-N 0 1 456.262 4.561 20 0 JJADMN CCOc1c(Br)cc(Br)cc1CNCc1ccc2cnn(C)c2c1 ZINC001461534270 1067883142 /nfs/dbraw/zinc/88/31/42/1067883142.db2.gz WAHKIVRBTOECNP-UHFFFAOYSA-N 0 1 453.178 4.787 20 0 JJADMN CN(CCOCCNCc1sc(Sc2ccccc2)nc1Cl)C(=O)OC(C)(C)C ZINC001461649629 1067909488 /nfs/dbraw/zinc/90/94/88/1067909488.db2.gz TXLRPJNANCVSQS-UHFFFAOYSA-N 0 1 458.049 4.921 20 0 JJADMN COc1cc(CNCc2ccsc2C(F)(F)F)cc(I)c1OC ZINC001461675738 1067915951 /nfs/dbraw/zinc/91/59/51/1067915951.db2.gz OFNIYBGFEHAIRX-UHFFFAOYSA-N 0 1 457.255 4.679 20 0 JJADMN CC(C)(C)OC(=O)NCCCOCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001461676083 1067915979 /nfs/dbraw/zinc/91/59/79/1067915979.db2.gz BPIJMFUYOKJANJ-UHFFFAOYSA-N 0 1 459.534 4.850 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001461711972 1067923136 /nfs/dbraw/zinc/92/31/36/1067923136.db2.gz IXPJIWSPZXRFLT-LAUBAEHRSA-N 0 1 450.549 4.535 20 0 JJADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNCc1c(F)ccc(I)c1F ZINC001461754025 1067931007 /nfs/dbraw/zinc/93/10/07/1067931007.db2.gz NRFWLBXFZVIMTP-CHWSQXEVSA-N 0 1 480.337 4.552 20 0 JJADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1 ZINC001461803162 1067939321 /nfs/dbraw/zinc/93/93/21/1067939321.db2.gz YAKIDZLQGMDWGV-NRFANRHFSA-N 0 1 452.530 4.627 20 0 JJADMN COc1cc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OCc1ccccc1 ZINC001461821794 1067941992 /nfs/dbraw/zinc/94/19/92/1067941992.db2.gz FQFYBMCHAZCNBZ-GOSISDBHSA-N 0 1 455.576 4.537 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CN3CCC[C@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC001461849739 1067946591 /nfs/dbraw/zinc/94/65/91/1067946591.db2.gz NBPBJTOVNLJPGV-PMACEKPBSA-N 0 1 451.489 4.983 20 0 JJADMN COc1ccc(Br)cc1CN(C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461860129 1067949081 /nfs/dbraw/zinc/94/90/81/1067949081.db2.gz ACVMSFRNTHSSEK-AWEZNQCLSA-N 0 1 455.315 4.735 20 0 JJADMN CCCN(Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001461898509 1067957119 /nfs/dbraw/zinc/95/71/19/1067957119.db2.gz NSAUXQWFWAZZDN-UHFFFAOYSA-N 0 1 451.974 4.671 20 0 JJADMN COc1ccc(OC2CCN(Cc3cn(-c4cccc(Br)c4)nc3C)CC2)cc1 ZINC001461920606 1067961376 /nfs/dbraw/zinc/96/13/76/1067961376.db2.gz PDDWMVXLYXWWCA-UHFFFAOYSA-N 0 1 456.384 4.995 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC001461947938 1067966753 /nfs/dbraw/zinc/96/67/53/1067966753.db2.gz DUNJYBSWBZFNHC-VWLOTQADSA-N 0 1 456.656 4.575 20 0 JJADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462005654 1067978701 /nfs/dbraw/zinc/97/87/01/1067978701.db2.gz CBOONQVASCFJAS-DENIHFKCSA-N 0 1 479.518 4.737 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001462009045 1067979571 /nfs/dbraw/zinc/97/95/71/1067979571.db2.gz TZQZLLIQCWJEAT-JOCHJYFZSA-N 0 1 459.581 4.942 20 0 JJADMN CCOc1ccccc1N1CCN(Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001462011811 1067980101 /nfs/dbraw/zinc/98/01/01/1067980101.db2.gz AMALPHOHFQVKNF-UHFFFAOYSA-N 0 1 451.611 4.701 20 0 JJADMN Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN(Cc2ccco2)Cc2cccs2)cnn1C ZINC001462036056 1067985586 /nfs/dbraw/zinc/98/55/86/1067985586.db2.gz CZLVVTNHMCMWPD-LJQANCHMSA-N 0 1 458.628 4.769 20 0 JJADMN C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045223 1067988372 /nfs/dbraw/zinc/98/83/72/1067988372.db2.gz BZBLKBYTZDTYDW-GAJHUEQPSA-N 0 1 450.970 4.608 20 0 JJADMN C[C@H](CCCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045234 1067989012 /nfs/dbraw/zinc/98/90/12/1067989012.db2.gz BZBLKBYTZDTYDW-UZUQRXQVSA-N 0 1 450.970 4.608 20 0 JJADMN CC(C)(C)OC(=O)N1[C@H](CNCc2nc3c(s2)C[C@H](c2ccccc2)CC3)COC1(C)C ZINC001462047135 1067989472 /nfs/dbraw/zinc/98/94/72/1067989472.db2.gz IITZWYMSPPXLQP-RTBURBONSA-N 0 1 457.640 4.877 20 0 JJADMN C[C@@H](NC1CCN(Cc2ccccc2Br)CC1)c1nc(-c2cccc(F)c2)no1 ZINC001462119831 1068008349 /nfs/dbraw/zinc/00/83/49/1068008349.db2.gz MHHVRRCDYBKSOT-OAHLLOKOSA-N 0 1 459.363 4.953 20 0 JJADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001462143515 1068014100 /nfs/dbraw/zinc/01/41/00/1068014100.db2.gz BMPYXQRCYACNGJ-QFYYESIMSA-N 0 1 457.727 4.691 20 0 JJADMN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CCOC)[C@H](C)C2)CCC1 ZINC001546129707 1068018380 /nfs/dbraw/zinc/01/83/80/1068018380.db2.gz PQBJYIXXGZMUQZ-QGZVFWFLSA-N 0 1 494.453 4.584 20 0 JJADMN COc1sc(CNCc2cnn(-c3ccc(Br)cc3)c2)cc1Br ZINC001462163334 1068019691 /nfs/dbraw/zinc/01/96/91/1068019691.db2.gz FKERKLXKRVXSRI-UHFFFAOYSA-N 0 1 457.191 4.757 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCO[C@@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462167014 1068020578 /nfs/dbraw/zinc/02/05/78/1068020578.db2.gz KWKALJRRYWGFLM-YADHBBJMSA-N 0 1 450.501 4.697 20 0 JJADMN COC(=O)c1ccc(CN[C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462198879 1068027360 /nfs/dbraw/zinc/02/73/60/1068027360.db2.gz FNSNFZGMTOACPS-RDTXWAMCSA-N 0 1 455.393 4.503 20 0 JJADMN O=C(Nc1n[nH]c2cnc(Br)cc21)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462200353 1068027839 /nfs/dbraw/zinc/02/78/39/1068027839.db2.gz PTTJBMFPNGBOFC-SFHVURJKSA-N 0 1 459.250 4.757 20 0 JJADMN COc1ccccc1O[C@H]1CCCN(Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001462224305 1068032090 /nfs/dbraw/zinc/03/20/90/1068032090.db2.gz GEJOSEFAJARTGU-NRFANRHFSA-N 0 1 456.384 4.995 20 0 JJADMN CCOc1ccc([C@@H](O)C2CCN(Cc3ccc(C(=O)OC)cc3C(F)(F)F)CC2)cc1 ZINC001462276104 1068042670 /nfs/dbraw/zinc/04/26/70/1068042670.db2.gz NSGHEALZPTZEIC-JOCHJYFZSA-N 0 1 451.485 4.836 20 0 JJADMN COC(=O)[C@@H](C)Oc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280782 1068043062 /nfs/dbraw/zinc/04/30/62/1068043062.db2.gz GULDXVAWNOYZFR-IERDGZPVSA-N 0 1 451.485 4.998 20 0 JJADMN CC(C)(C)OC(=O)NCCC[C@@H](NC1CN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001462300742 1068046858 /nfs/dbraw/zinc/04/68/58/1068046858.db2.gz WXVQEIPXCMVREM-HSZRJFAPSA-N 0 1 453.583 4.643 20 0 JJADMN CC(C)(C)OC(=O)NCCC[C@H](NC1CN(C(=O)OCc2ccccc2)C1)c1ccccc1 ZINC001462300745 1068046954 /nfs/dbraw/zinc/04/69/54/1068046954.db2.gz WXVQEIPXCMVREM-QHCPKHFHSA-N 0 1 453.583 4.643 20 0 JJADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462302185 1068047302 /nfs/dbraw/zinc/04/73/02/1068047302.db2.gz CSCRHVCNNVQHQI-AREMUKBSSA-N 0 1 455.599 4.876 20 0 JJADMN COc1cc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1OCC(F)F ZINC001462333487 1068053093 /nfs/dbraw/zinc/05/30/93/1068053093.db2.gz OJDPSSZRGXMWBL-KRWDZBQOSA-N 0 1 453.448 4.529 20 0 JJADMN Clc1nc(N2CCOCC2)sc1CN1CCC[C@H]1Cc1ccccc1Br ZINC001462355257 1068058256 /nfs/dbraw/zinc/05/82/56/1068058256.db2.gz LPGPWCPNGBGSPV-HNNXBMFYSA-N 0 1 456.837 4.603 20 0 JJADMN COC(=O)c1ccc(COc2ccccc2CN2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001462437013 1068074143 /nfs/dbraw/zinc/07/41/43/1068074143.db2.gz ITDZTXNCUUSHNX-XXBNENTESA-N 0 1 453.579 4.852 20 0 JJADMN C[C@H](NCc1ccc(CN(C)C)c2c1OC(F)(F)O2)c1nc(-c2ccc(Cl)cc2)no1 ZINC001462606991 1068110857 /nfs/dbraw/zinc/11/08/57/1068110857.db2.gz BNXWDCWUFZUSAZ-LBPRGKRZSA-N 0 1 450.873 4.624 20 0 JJADMN CC(C)(C)OC(=O)NCc1cccc(CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001462616318 1068112972 /nfs/dbraw/zinc/11/29/72/1068112972.db2.gz GNOCVBDQGGTCBM-QFIPXVFZSA-N 0 1 458.002 4.759 20 0 JJADMN COC(=O)C1CCC(NCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001462633332 1068118808 /nfs/dbraw/zinc/11/88/08/1068118808.db2.gz HHOASVXZOJCSFE-UHFFFAOYSA-N 0 1 455.502 4.668 20 0 JJADMN CCC1(C(=O)Nc2nc3cccc(Br)c3[nH]2)CCN(C(=O)c2ccccc2)CC1 ZINC001462712597 1068139456 /nfs/dbraw/zinc/13/94/56/1068139456.db2.gz UYGUKQYSKGBCGC-UHFFFAOYSA-N 0 1 455.356 4.597 20 0 JJADMN CCN(CC)[C@@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccccc1 ZINC001462740513 1068150505 /nfs/dbraw/zinc/15/05/05/1068150505.db2.gz JVTCRZJNYQWBDX-QFIPXVFZSA-N 0 1 450.551 4.578 20 0 JJADMN CCOc1ccc(CCC2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3O)CC2)cc1 ZINC001462776305 1068164898 /nfs/dbraw/zinc/16/48/98/1068164898.db2.gz NAKCAPVJRMYKOR-UHFFFAOYSA-N 0 1 457.514 4.843 20 0 JJADMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894898 1068206411 /nfs/dbraw/zinc/20/64/11/1068206411.db2.gz GOCZKGPULNKXIX-PKOBYXMFSA-N 0 1 451.430 4.604 20 0 JJADMN CC(C)(C)c1ccc(N2CCC(NS(=O)(=O)c3cc(C(F)(F)F)ccc3O)CC2)cc1 ZINC001462912063 1068212277 /nfs/dbraw/zinc/21/22/77/1068212277.db2.gz ZMOUXFRXAHFFLC-UHFFFAOYSA-N 0 1 456.530 4.656 20 0 JJADMN CC[C@H](C)Oc1cccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462912963 1068212541 /nfs/dbraw/zinc/21/25/41/1068212541.db2.gz QYKKILBYKGLWFX-KRWDZBQOSA-N 0 1 458.546 4.635 20 0 JJADMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1-c1ccccc1 ZINC001462954388 1068228086 /nfs/dbraw/zinc/22/80/86/1068228086.db2.gz KCVUFMYRXQUIMA-VWLOTQADSA-N 0 1 450.604 4.786 20 0 JJADMN CC(C)COC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccco1 ZINC001462994059 1068242764 /nfs/dbraw/zinc/24/27/64/1068242764.db2.gz WRRIWNPBCMXLOI-CQSZACIVSA-N 0 1 454.745 4.527 20 0 JJADMN Cc1cc(S(=O)(=O)NCC2CCN(Cc3ccccc3Cl)CC2)ccc1OC(C)C ZINC001463048284 1068265017 /nfs/dbraw/zinc/26/50/17/1068265017.db2.gz SIGQCNWIKBJWGS-UHFFFAOYSA-N 0 1 451.032 4.626 20 0 JJADMN CN1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC001463152159 1068304735 /nfs/dbraw/zinc/30/47/35/1068304735.db2.gz BPFAXPNNIZHSIA-SJCJKPOMSA-N 0 1 452.951 4.782 20 0 JJADMN CC(C)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1ccc(Cl)cc1 ZINC001463152792 1068305156 /nfs/dbraw/zinc/30/51/56/1068305156.db2.gz HAABZDXWPDFODO-CYBMUJFWSA-N 0 1 456.438 4.524 20 0 JJADMN COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H](CC2CCC2)c2ccccc2)s1 ZINC001463428985 1068394518 /nfs/dbraw/zinc/39/45/18/1068394518.db2.gz FQMHMJZLCDBPLD-OAHLLOKOSA-N 0 1 458.399 4.507 20 0 JJADMN C[C@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC001463437075 1068397309 /nfs/dbraw/zinc/39/73/09/1068397309.db2.gz WOHCKTVZCDWFQC-MRVPVSSYSA-N 0 1 459.139 4.944 20 0 JJADMN COc1ccc([C@H](CNC(=O)c2cc3c(ccc(C)c3Br)[nH]2)N2CCCC2)cc1 ZINC001463561779 1068444214 /nfs/dbraw/zinc/44/42/14/1068444214.db2.gz FKRAIMZIEVENOJ-NRFANRHFSA-N 0 1 456.384 4.814 20 0 JJADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC001463564167 1068445729 /nfs/dbraw/zinc/44/57/29/1068445729.db2.gz MNFJVNFNGOAUTN-UHFFFAOYSA-N 0 1 454.939 4.886 20 0 JJADMN C/C=C(/CC)C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463590209 1068458885 /nfs/dbraw/zinc/45/88/85/1068458885.db2.gz NFFTUZGQDJKBFX-PQMHYQBVSA-N 0 1 453.358 4.553 20 0 JJADMN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC001463646102 1068479496 /nfs/dbraw/zinc/47/94/96/1068479496.db2.gz GZAMGMDJQINLDS-INIZCTEOSA-N 0 1 453.992 4.790 20 0 JJADMN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(CN4CCCC4)o3)ccc2C)c1 ZINC001463674201 1068490423 /nfs/dbraw/zinc/49/04/23/1068490423.db2.gz IIJICAFBSGSMMP-UHFFFAOYSA-N 0 1 453.564 4.545 20 0 JJADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001463733461 1068507580 /nfs/dbraw/zinc/50/75/80/1068507580.db2.gz BXBJXPZKNQIULZ-UHFFFAOYSA-N 0 1 454.905 4.768 20 0 JJADMN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CN(CC(C)C)CCO3)c2C1 ZINC001463773233 1068520645 /nfs/dbraw/zinc/52/06/45/1068520645.db2.gz BCEBQEQJUUSGJT-SFTDATJTSA-N 0 1 451.655 4.863 20 0 JJADMN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC001463784963 1068523178 /nfs/dbraw/zinc/52/31/78/1068523178.db2.gz VLWYBHPSHVIGLZ-FQEVSTJZSA-N 0 1 450.608 4.807 20 0 JJADMN CCc1ccc([C@@H](CNS(=O)(=O)c2cc(Br)ccc2C)N(CC)CC)cc1 ZINC001463790567 1068525183 /nfs/dbraw/zinc/52/51/83/1068525183.db2.gz DTJSGCRXKGWUQD-HXUWFJFHSA-N 0 1 453.446 4.681 20 0 JJADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001463839342 1068543531 /nfs/dbraw/zinc/54/35/31/1068543531.db2.gz MIAZISIJQBVYGF-UEVCKROQSA-N 0 1 451.577 4.940 20 0 JJADMN O=C(CC[C@H]1CCc2ccccc21)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463841843 1068544630 /nfs/dbraw/zinc/54/46/30/1068544630.db2.gz VVHFNRNDGTXKPM-OAQYLSRUSA-N 0 1 459.556 4.844 20 0 JJADMN Cc1ccc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ncccc12 ZINC001463842742 1068545362 /nfs/dbraw/zinc/54/53/62/1068545362.db2.gz YZTHKKPWKYTDII-UHFFFAOYSA-N 0 1 456.512 4.504 20 0 JJADMN COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(I)c2O)cc1 ZINC001463849763 1068547811 /nfs/dbraw/zinc/54/78/11/1068547811.db2.gz VBGNMXHOBGQCFE-SFHVURJKSA-N 0 1 451.304 4.763 20 0 JJADMN CC1CCN(C(=O)N2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)[nH]n3)CC2)CC1 ZINC001463859100 1068549355 /nfs/dbraw/zinc/54/93/55/1068549355.db2.gz XYQPHCAYGMHDAX-UHFFFAOYSA-N 0 1 459.635 4.556 20 0 JJADMN Cc1cccc(N2CCN(CCCNC(=O)C3(c4ccc(C(F)(F)F)cc4)CCC3)CC2)c1 ZINC001463873092 1068551819 /nfs/dbraw/zinc/55/18/19/1068551819.db2.gz LYECPHDSEPDPKS-UHFFFAOYSA-N 0 1 459.556 4.764 20 0 JJADMN COc1ccc(CN2CCCN(C(=O)/C(=C/c3ccccc3OC)c3ccccc3)CC2)cc1 ZINC001463900308 1068559870 /nfs/dbraw/zinc/55/98/70/1068559870.db2.gz WENMZDOLFKZVBV-SZXQPVLSSA-N 0 1 456.586 4.979 20 0 JJADMN CCN(CC)[C@H](CNC(=O)[C@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912153 1068563117 /nfs/dbraw/zinc/56/31/17/1068563117.db2.gz HETXAAKSIPTLCI-WOJBJXKFSA-N 0 1 453.808 4.989 20 0 JJADMN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)c1ccccc1Cl ZINC001463915539 1068564330 /nfs/dbraw/zinc/56/43/30/1068564330.db2.gz RHRXTEIVDOPFOS-JOCHJYFZSA-N 0 1 456.974 4.560 20 0 JJADMN CCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)C1CCCCC1 ZINC001464068356 1068604218 /nfs/dbraw/zinc/60/42/18/1068604218.db2.gz WQMJMXHNMUQQRK-UHFFFAOYSA-N 0 1 450.988 4.944 20 0 JJADMN CC[C@@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)N1CCc2ccccc2C1 ZINC001464099783 1068615326 /nfs/dbraw/zinc/61/53/26/1068615326.db2.gz LHRBOVVTWNZFFC-NRFANRHFSA-N 0 1 456.030 4.569 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)C[C@H](C)O1 ZINC001464121224 1068622459 /nfs/dbraw/zinc/62/24/59/1068622459.db2.gz MAIWLCBARXJRFS-ZRZAMGCNSA-N 0 1 458.602 4.734 20 0 JJADMN COc1ccc(/C(C)=C/C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 ZINC001464124365 1068623587 /nfs/dbraw/zinc/62/35/87/1068623587.db2.gz IPHOAFKSHGDNFF-BSYVCWPDSA-N 0 1 455.602 4.737 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)C[C@@H](C)O1 ZINC001464124948 1068624231 /nfs/dbraw/zinc/62/42/31/1068624231.db2.gz XHOSZOORKHKYDO-HUUCEWRRSA-N 0 1 451.792 4.642 20 0 JJADMN COc1ccc(/C=C/C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)cc1O ZINC001464135809 1068629421 /nfs/dbraw/zinc/62/94/21/1068629421.db2.gz ZPBXZVLMEVCVLB-UKTHLTGXSA-N 0 1 457.574 4.683 20 0 JJADMN Cc1nc(CC(C)C)c(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)s1 ZINC001464224102 1068664313 /nfs/dbraw/zinc/66/43/13/1068664313.db2.gz HYAMPHVKBZZXIC-UHFFFAOYSA-N 0 1 453.586 4.904 20 0 JJADMN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccc(I)c3O)sc2C1 ZINC001546145357 1068669809 /nfs/dbraw/zinc/66/98/09/1068669809.db2.gz JAQFGCBWZQNFKL-SNVBAGLBSA-N 0 1 456.349 4.857 20 0 JJADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001464274972 1068685492 /nfs/dbraw/zinc/68/54/92/1068685492.db2.gz VLZGFDLBNLDWDZ-XMMPIXPASA-N 0 1 453.558 4.974 20 0 JJADMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278022 1068686814 /nfs/dbraw/zinc/68/68/14/1068686814.db2.gz WVYZQBBKVHPYBH-LVXARBLLSA-N 0 1 456.652 4.835 20 0 JJADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001464280993 1068689473 /nfs/dbraw/zinc/68/94/73/1068689473.db2.gz JZNARUKDLKOZQH-WNSKOXEYSA-N 0 1 454.933 4.536 20 0 JJADMN CC(C)CCOc1ccc(S(=O)(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC001464293009 1068695030 /nfs/dbraw/zinc/69/50/30/1068695030.db2.gz LURPEIJLWOSHQR-UHFFFAOYSA-N 0 1 455.502 4.827 20 0 JJADMN CCCOc1cc(C)ccc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464311799 1068701283 /nfs/dbraw/zinc/70/12/83/1068701283.db2.gz KJNCJCKKTOFGEC-QFIPXVFZSA-N 0 1 455.599 4.748 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)N1CCCCC1 ZINC001464327325 1068707307 /nfs/dbraw/zinc/70/73/07/1068707307.db2.gz CJQDOYXUNKGBNC-JRVPOQSUSA-N 0 1 454.567 4.600 20 0 JJADMN CCOc1cc(Br)c(NC(=O)c2ccc(Br)cc2O)cc1OCC ZINC001464445745 1068748183 /nfs/dbraw/zinc/74/81/83/1068748183.db2.gz QTDOJOVZPIFPNZ-UHFFFAOYSA-N 0 1 459.134 4.967 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC001464464985 1068755937 /nfs/dbraw/zinc/75/59/37/1068755937.db2.gz KHKQJEYLKYMGTL-FQEVSTJZSA-N 0 1 456.801 4.851 20 0 JJADMN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC001464490316 1068764584 /nfs/dbraw/zinc/76/45/84/1068764584.db2.gz BMEVQBXMPBWFCJ-OAQYLSRUSA-N 0 1 452.530 4.877 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1)c1ccco1 ZINC001464544801 1068777897 /nfs/dbraw/zinc/77/78/97/1068777897.db2.gz CEJGBHGSAGSMMZ-IBGZPJMESA-N 0 1 459.388 4.658 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCCCC(=O)c2ccc(F)cc2)CC1 ZINC001464560459 1068781764 /nfs/dbraw/zinc/78/17/64/1068781764.db2.gz LVBWCOCQKGIVIW-IBGZPJMESA-N 0 1 457.565 4.727 20 0 JJADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464563976 1068783092 /nfs/dbraw/zinc/78/30/92/1068783092.db2.gz WQHVMPUOHDIPCB-FQEVSTJZSA-N 0 1 459.656 4.520 20 0 JJADMN Cc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1S(=O)(=O)N1CCCCC1 ZINC001464594271 1068793764 /nfs/dbraw/zinc/79/37/64/1068793764.db2.gz APKOMCINQUIRDB-UHFFFAOYSA-N 0 1 454.596 4.596 20 0 JJADMN O=C(C=Cc1ccccc1OC(F)(F)F)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC001464641821 1068808681 /nfs/dbraw/zinc/80/86/81/1068808681.db2.gz YXYQZOJNKDJLCX-JXMROGBWSA-N 0 1 453.218 4.785 20 0 JJADMN CCCN(C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464675494 1068820963 /nfs/dbraw/zinc/82/09/63/1068820963.db2.gz NVJGDHLZSGNTCA-RPWUZVMVSA-N 0 1 454.014 4.596 20 0 JJADMN CCCN(C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464675486 1068821088 /nfs/dbraw/zinc/82/10/88/1068821088.db2.gz NVJGDHLZSGNTCA-BJKOFHAPSA-N 0 1 454.014 4.596 20 0 JJADMN Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2Br)N2CCCC2)o1 ZINC001464686599 1068825051 /nfs/dbraw/zinc/82/50/51/1068825051.db2.gz VYAGWECKANDORS-INIZCTEOSA-N 0 1 456.178 4.680 20 0 JJADMN Cc1ccc([C@H](CNC(=O)c2cc(Br)cc(Br)c2)N2CCCC2)o1 ZINC001464687096 1068825747 /nfs/dbraw/zinc/82/57/47/1068825747.db2.gz YYPSAEGLMQWWNZ-INIZCTEOSA-N 0 1 456.178 4.680 20 0 JJADMN Cc1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c(C)n1C1CCOCC1 ZINC001464691708 1068826873 /nfs/dbraw/zinc/82/68/73/1068826873.db2.gz UUHOBCDFVAACAG-UHFFFAOYSA-N 0 1 452.599 4.523 20 0 JJADMN COc1cccc(Oc2cncc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)n2)c1 ZINC001164691618 719811860 /nfs/dbraw/zinc/81/18/60/719811860.db2.gz INGHZAYSGQRLNL-UHFFFAOYSA-N 0 1 451.596 4.677 20 0 JJADMN Cc1nc(CN2CCCC23CCN(c2ncnc4oc(-c5ccc(C)cc5)nc42)CC3)cs1 ZINC001164691317 719814091 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FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729787 720392244 /nfs/dbraw/zinc/39/22/44/720392244.db2.gz WKMWJUQPGSGZCK-DLBZAZTESA-N 0 1 450.320 4.730 20 0 JJADMN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164728090 720566045 /nfs/dbraw/zinc/56/60/45/720566045.db2.gz JETHFFUBOCIXNI-UHFFFAOYSA-N 0 1 486.023 4.714 20 0 JJADMN Clc1nc2sc(-c3ccccc3)cc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736478 720575042 /nfs/dbraw/zinc/57/50/42/720575042.db2.gz LGVDNGWVTWQWKL-UHFFFAOYSA-N 0 1 465.026 4.867 20 0 JJADMN Cc1ccc(-c2nnc(N3CCc4ncc(CN5CCCC5)n4CC3)c3ccccc32)cc1C ZINC001164736623 720581123 /nfs/dbraw/zinc/58/11/23/720581123.db2.gz PHBJALLMBRLFLI-UHFFFAOYSA-N 0 1 452.606 4.769 20 0 JJADMN COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164863245 720937322 /nfs/dbraw/zinc/93/73/22/720937322.db2.gz ZBEQYGOQCBMDIT-HXUWFJFHSA-N 0 1 486.620 4.835 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)[C@@H]2C ZINC001164859763 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457.688 4.710 20 0 JJADMN CC[C@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)N1CCc2ccccc2C1 ZINC001441238054 1066017974 /nfs/dbraw/zinc/01/79/74/1066017974.db2.gz JGGIFQGQRKLSBU-XMMPIXPASA-N 0 1 451.014 4.768 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2C[C@H]2CN(CC(C)C)CCO2)c1C ZINC001360875783 1066019629 /nfs/dbraw/zinc/01/96/29/1066019629.db2.gz YWOGDSNSHGGAHB-DNQXCXABSA-N 0 1 469.674 4.772 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@@H](c2ccsc2)N(C)C)c1C ZINC001360877907 1066024320 /nfs/dbraw/zinc/02/43/20/1066024320.db2.gz PSHSHKCRAIKGOS-IRLDBZIGSA-N 0 1 469.655 4.626 20 0 JJADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1cc(Cl)ncc1Cl ZINC001441311460 1066024901 /nfs/dbraw/zinc/02/49/01/1066024901.db2.gz LLECELAJZREKIF-UHFFFAOYSA-N 0 1 455.389 4.641 20 0 JJADMN CSc1ccc(CCC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 ZINC001441314188 1066026202 /nfs/dbraw/zinc/02/62/02/1066026202.db2.gz NWAHOZKZCXEDNL-UHFFFAOYSA-N 0 1 459.659 4.980 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCCc3ccccc3Br)cc2)C[C@@H](C)O1 ZINC001441317427 1066026759 /nfs/dbraw/zinc/02/67/59/1066026759.db2.gz GHNGGNSLOHUPMJ-RTBURBONSA-N 0 1 459.428 4.697 20 0 JJADMN COc1cc(NC(=O)c2cccc3nc(C)[nH]c32)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001441321969 1066028084 /nfs/dbraw/zinc/02/80/84/1066028084.db2.gz MKEWQPNSVOKMIR-GJZGRUSLSA-N 0 1 450.539 4.544 20 0 JJADMN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441323590 1066028301 /nfs/dbraw/zinc/02/83/01/1066028301.db2.gz CZASTBDEIAECIT-GOTSBHOMSA-N 0 1 458.002 4.544 20 0 JJADMN CCCOc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(OC(C)C)c1 ZINC001441329246 1066029586 /nfs/dbraw/zinc/02/95/86/1066029586.db2.gz WLZNONUYHZEEOV-SFTDATJTSA-N 0 1 454.611 4.802 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCN2CCSCC2)c1C ZINC001360881207 1066033939 /nfs/dbraw/zinc/03/39/39/1066033939.db2.gz HUBCQOMEMVMIJU-MISYRCLQSA-N 0 1 497.631 4.718 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCCN2CCOCC2)c1C ZINC001360883688 1066038066 /nfs/dbraw/zinc/03/80/66/1066038066.db2.gz WPHUYNZVVIRDGF-XMMPIXPASA-N 0 1 467.658 4.694 20 0 JJADMN Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CCN(CCc3ccccc3)CC2)sc1C ZINC001360899867 1066053116 /nfs/dbraw/zinc/05/31/16/1066053116.db2.gz TZSQXJKHDWBKKK-UHFFFAOYSA-N 0 1 466.699 4.547 20 0 JJADMN CC(C)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001441667172 1066059457 /nfs/dbraw/zinc/05/94/57/1066059457.db2.gz QZKCHMYBZAEHFD-UHFFFAOYSA-N 0 1 456.562 4.542 20 0 JJADMN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001441733791 1066065268 /nfs/dbraw/zinc/06/52/68/1066065268.db2.gz KBMFOQWEYPIPDO-UHFFFAOYSA-N 0 1 458.440 4.900 20 0 JJADMN C[C@@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)c1cc2c(cc1Br)OCCO2 ZINC001441820505 1066073537 /nfs/dbraw/zinc/07/35/37/1066073537.db2.gz PPARXVZAUKLFPG-SECBINFHSA-N 0 1 452.255 4.525 20 0 JJADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)c2ccccc2)cc1Cl ZINC001441819574 1066073643 /nfs/dbraw/zinc/07/36/43/1066073643.db2.gz IAHFCSMGLDKEJC-OAHLLOKOSA-N 0 1 450.926 4.561 20 0 JJADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)c2ccccc2)cc1Cl ZINC001441819574 1066073653 /nfs/dbraw/zinc/07/36/53/1066073653.db2.gz IAHFCSMGLDKEJC-OAHLLOKOSA-N 0 1 450.926 4.561 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)Cc1ccccc1OCc1ccncc1)N1CCCCC1 ZINC001441880138 1066076881 /nfs/dbraw/zinc/07/68/81/1066076881.db2.gz FACLGPVGQCTYCY-RUZDIDTESA-N 0 1 459.590 4.555 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)Cc1ccc(OCc2ccccn2)cc1)N1CCCCC1 ZINC001441887114 1066078660 /nfs/dbraw/zinc/07/86/60/1066078660.db2.gz QNONJPPNQJHBSG-SANMLTNESA-N 0 1 459.590 4.555 20 0 JJADMN CCN(CC)[C@@H](C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 ZINC001442160450 1066098517 /nfs/dbraw/zinc/09/85/17/1066098517.db2.gz MFEPVTFZDPYESX-AJTFRIOCSA-N 0 1 457.574 4.784 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)Cc1cc(C(C)=O)ccc1OC)c1ccc(C(F)(F)F)cc1 ZINC001442330477 1066116907 /nfs/dbraw/zinc/11/69/07/1066116907.db2.gz TXMYQQJRHWGSEN-NRFANRHFSA-N 0 1 450.501 4.658 20 0 JJADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336338 1066117659 /nfs/dbraw/zinc/11/76/59/1066117659.db2.gz JSSOBPAPCPJLOY-FQEVSTJZSA-N 0 1 456.999 4.926 20 0 JJADMN Cc1ccsc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001360960238 1066118634 /nfs/dbraw/zinc/11/86/34/1066118634.db2.gz GGALVQMWWSQBCQ-UHFFFAOYSA-N 0 1 460.047 4.564 20 0 JJADMN Cc1ccc(Nc2cccc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccccc3)c2)nn1 ZINC001442375773 1066121465 /nfs/dbraw/zinc/12/14/65/1066121465.db2.gz LOLGJTCQONGORM-UHFFFAOYSA-N 0 1 459.531 4.582 20 0 JJADMN C[C@@H](Nc1ccc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711005 1066154330 /nfs/dbraw/zinc/15/43/30/1066154330.db2.gz TZLBSGKYQWZWNV-CLOONOSVSA-N 0 1 459.594 4.829 20 0 JJADMN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC001442724218 1066155621 /nfs/dbraw/zinc/15/56/21/1066155621.db2.gz OYULHVJHJJVLGG-UHFFFAOYSA-N 0 1 453.296 4.673 20 0 JJADMN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1Oc1ccncc1 ZINC001442723991 1066155701 /nfs/dbraw/zinc/15/57/01/1066155701.db2.gz OJNSKWRHMXBFPB-UHFFFAOYSA-N 0 1 450.296 4.982 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC=CCC2)n1CCCCN1CCOCC1 ZINC001360990608 1066168474 /nfs/dbraw/zinc/16/84/74/1066168474.db2.gz XZDSGTAKRDQJQT-OAQYLSRUSA-N 0 1 474.049 4.567 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC=CCC2)n1CCCCN1CCOCC1 ZINC001360990607 1066168540 /nfs/dbraw/zinc/16/85/40/1066168540.db2.gz XZDSGTAKRDQJQT-NRFANRHFSA-N 0 1 474.049 4.567 20 0 JJADMN Cc1cccc([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC(C)C)CC2)c1 ZINC001361004236 1066182573 /nfs/dbraw/zinc/18/25/73/1066182573.db2.gz JYOWWJHDUHFDST-OAQYLSRUSA-N 0 1 483.060 4.653 20 0 JJADMN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)o1 ZINC001361012024 1066196030 /nfs/dbraw/zinc/19/60/30/1066196030.db2.gz MKFZYPUUJJEIAS-NRFANRHFSA-N 0 1 490.608 4.743 20 0 JJADMN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC001442880219 1066236553 /nfs/dbraw/zinc/23/65/53/1066236553.db2.gz QAEGSICGJILDBU-UHFFFAOYSA-N 0 1 451.958 4.739 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cccc(NCc3ccccn3)c2)c1 ZINC001442910417 1066239390 /nfs/dbraw/zinc/23/93/90/1066239390.db2.gz VGSUZXXRAKLNFA-UHFFFAOYSA-N 0 1 457.578 4.761 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC/C=C/c3ccc(Br)cc3)n2)cc1 ZINC001454042785 1066239676 /nfs/dbraw/zinc/23/96/76/1066239676.db2.gz CQOFJPQYRLSGBA-DUXPYHPUSA-N 0 1 457.397 4.854 20 0 JJADMN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)c1 ZINC001442926698 1066241612 /nfs/dbraw/zinc/24/16/12/1066241612.db2.gz UZIWGWHJVZKZJA-UHFFFAOYSA-N 0 1 452.923 4.816 20 0 JJADMN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001443090270 1066265237 /nfs/dbraw/zinc/26/52/37/1066265237.db2.gz LMQZEKBBZRLHBP-IBGZPJMESA-N 0 1 453.558 4.878 20 0 JJADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152715 1066274562 /nfs/dbraw/zinc/27/45/62/1066274562.db2.gz CFVJUGQOZGONHQ-QGZVFWFLSA-N 0 1 457.405 4.829 20 0 JJADMN CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1C ZINC001454355793 1066275099 /nfs/dbraw/zinc/27/50/99/1066275099.db2.gz INUNZGAAGAXNFR-UHFFFAOYSA-N 0 1 454.548 4.846 20 0 JJADMN COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001454407790 1066279969 /nfs/dbraw/zinc/27/99/69/1066279969.db2.gz RQTMLKIBLDVNBU-KUHUBIRLSA-N 0 1 451.792 4.752 20 0 JJADMN O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1ccc(-n2cnc3ccccc32)cc1 ZINC001454519621 1066295912 /nfs/dbraw/zinc/29/59/12/1066295912.db2.gz AAOIHYZPMSEFAA-UHFFFAOYSA-N 0 1 456.399 4.595 20 0 JJADMN CN1CCCC[C@H]1C(=O)NCc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 ZINC001443530482 1066323189 /nfs/dbraw/zinc/32/31/89/1066323189.db2.gz IBWKVTLIKDGYLQ-NRFANRHFSA-N 0 1 451.394 4.942 20 0 JJADMN CC(C)=CC(=O)NCc1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC001443575802 1066330103 /nfs/dbraw/zinc/33/01/03/1066330103.db2.gz CIOXCEBEODIRPY-UHFFFAOYSA-N 0 1 454.014 4.564 20 0 JJADMN Cn1ccnc1SCc1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)o1 ZINC001443581102 1066331926 /nfs/dbraw/zinc/33/19/26/1066331926.db2.gz RBVVZDVYHHEQLN-UHFFFAOYSA-N 0 1 459.015 4.601 20 0 JJADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC001443604763 1066336389 /nfs/dbraw/zinc/33/63/89/1066336389.db2.gz YWDZNELWEFUIFG-KRWDZBQOSA-N 0 1 458.027 4.744 20 0 JJADMN CC(C)[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CCN1C ZINC001454891316 1066339050 /nfs/dbraw/zinc/33/90/50/1066339050.db2.gz PCQVYNKLBNYVPD-IEBWSBKVSA-N 0 1 458.430 4.700 20 0 JJADMN CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443629095 1066339463 /nfs/dbraw/zinc/33/94/63/1066339463.db2.gz DLOZEWBCHMSTDL-SQZREULQSA-N 0 1 456.030 4.859 20 0 JJADMN Cc1cccc2cc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c(Cl)nc12 ZINC001443632218 1066340769 /nfs/dbraw/zinc/34/07/69/1066340769.db2.gz MAOCGWJWUWXFGM-UHFFFAOYSA-N 0 1 457.405 4.792 20 0 JJADMN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC001443659051 1066345748 /nfs/dbraw/zinc/34/57/48/1066345748.db2.gz ZFWSARKDAJPSPU-UHFFFAOYSA-N 0 1 455.337 4.820 20 0 JJADMN O=C(Nc1cc(F)cc(OC(F)F)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001455004939 1066351988 /nfs/dbraw/zinc/35/19/88/1066351988.db2.gz BVFOCKNCXLSKTL-UHFFFAOYSA-N 0 1 454.401 4.619 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001546068139 1066356812 /nfs/dbraw/zinc/35/68/12/1066356812.db2.gz ITIUARQSBMAGQQ-ZJSXRUAMSA-N 0 1 490.490 4.691 20 0 JJADMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)c1Br ZINC001443727739 1066358503 /nfs/dbraw/zinc/35/85/03/1066358503.db2.gz SIMOSYHIFFERJG-LBPRGKRZSA-N 0 1 459.207 4.806 20 0 JJADMN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC001443765277 1066364284 /nfs/dbraw/zinc/36/42/84/1066364284.db2.gz CTWPLOZJKIBWDB-QHCPKHFHSA-N 0 1 454.636 4.641 20 0 JJADMN CN(Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl)C(=O)CCCc1nn[nH]n1 ZINC001455271435 1066378089 /nfs/dbraw/zinc/37/80/89/1066378089.db2.gz GIOSKSQSZMVNRS-UHFFFAOYSA-N 0 1 454.745 4.934 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC001443897637 1066383374 /nfs/dbraw/zinc/38/33/74/1066383374.db2.gz NMXVUEVTPXKPIC-UHFFFAOYSA-N 0 1 452.532 4.537 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C1CCCCC1 ZINC001443909644 1066384366 /nfs/dbraw/zinc/38/43/66/1066384366.db2.gz IEARCAQVCMEPJH-HNNXBMFYSA-N 0 1 453.008 4.995 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCN2CC=CCC2)c1 ZINC001361126621 1066385402 /nfs/dbraw/zinc/38/54/02/1066385402.db2.gz WJRLUGFNQYMRLW-UHFFFAOYSA-N 0 1 481.685 4.945 20 0 JJADMN Cc1c2ccccc2oc1[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)C(C)C ZINC001443924001 1066386491 /nfs/dbraw/zinc/38/64/91/1066386491.db2.gz GUVXWJZCRDDBNS-JTHBVZDNSA-N 0 1 450.583 4.585 20 0 JJADMN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001455462068 1066393990 /nfs/dbraw/zinc/39/39/90/1066393990.db2.gz FRWVNCRYSYQDQL-VGOFRKELSA-N 0 1 456.587 4.514 20 0 JJADMN CC(C)c1cc([C@H]2CCCN(C(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)C2)n[nH]1 ZINC001455472226 1066395361 /nfs/dbraw/zinc/39/53/61/1066395361.db2.gz ZVWUMLSCWGGFSJ-QHCPKHFHSA-N 0 1 458.606 4.925 20 0 JJADMN Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC001455482662 1066396445 /nfs/dbraw/zinc/39/64/45/1066396445.db2.gz XONXOCRVXBUQGN-UHFFFAOYSA-N 0 1 458.902 4.717 20 0 JJADMN C[C@@H](NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)c1cc(Cl)cc(Cl)c1F ZINC001455542250 1066407808 /nfs/dbraw/zinc/40/78/08/1066407808.db2.gz AFBQCVVHJJEHJC-SNVBAGLBSA-N 0 1 457.333 4.640 20 0 JJADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccn2)cc1 ZINC001444124408 1066409279 /nfs/dbraw/zinc/40/92/79/1066409279.db2.gz AACBYFLDXWZVCJ-NRFANRHFSA-N 0 1 455.480 4.684 20 0 JJADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccccc2)cn1 ZINC001444127378 1066410422 /nfs/dbraw/zinc/41/04/22/1066410422.db2.gz DBNTYWXPVOXPAN-OAQYLSRUSA-N 0 1 455.480 4.684 20 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COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC001444212927 1066429900 /nfs/dbraw/zinc/42/99/00/1066429900.db2.gz ACWUGWYRHLNEBF-HZPDHXFCSA-N 0 1 450.988 4.800 20 0 JJADMN Cc1ccc(N(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001455787134 1066430664 /nfs/dbraw/zinc/43/06/64/1066430664.db2.gz LWEAWPJAZKMBQK-DEOSSOPVSA-N 0 1 451.611 4.906 20 0 JJADMN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)C2CCC(N3CCOCC3)CC2)c1 ZINC001444259251 1066437778 /nfs/dbraw/zinc/43/77/78/1066437778.db2.gz FJOXFZLUOGRHOD-ZOGOTRPCSA-N 0 1 450.623 4.603 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N(Cc3cccs3)C(C)C)n2CCN2CCSCC2)c1 ZINC001361149106 1066438781 /nfs/dbraw/zinc/43/87/81/1066438781.db2.gz IRMWTCBLNFUMAG-UHFFFAOYSA-N 0 1 485.723 4.999 20 0 JJADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC001444270391 1066440347 /nfs/dbraw/zinc/44/03/47/1066440347.db2.gz PTKZRNMZMOCKCL-UHFFFAOYSA-N 0 1 451.489 4.741 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](c2ccco2)N(C)C)c1 ZINC001361151751 1066443744 /nfs/dbraw/zinc/44/37/44/1066443744.db2.gz LFXSEFUNGJRAQX-OAQYLSRUSA-N 0 1 481.641 4.764 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCCC(C)(C)C3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361156035 1066456946 /nfs/dbraw/zinc/45/69/46/1066456946.db2.gz LKDMWTMTHSLWFY-ZRZAMGCNSA-N 0 1 469.674 4.600 20 0 JJADMN C[C@H](NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1)[C@@H]1CN(C)CCN1C ZINC001444401640 1066458075 /nfs/dbraw/zinc/45/80/75/1066458075.db2.gz DIPMSLRSKNSSMW-PAXLWEDBSA-N 0 1 452.451 4.577 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361159078 1066463049 /nfs/dbraw/zinc/46/30/49/1066463049.db2.gz OAPXICAGAWXTPD-JRFVFWCSSA-N 0 1 469.674 4.600 20 0 JJADMN O=C(CCc1cnc[nH]1)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621982 1066485087 /nfs/dbraw/zinc/48/50/87/1066485087.db2.gz ZUSWFHHPGXTDNV-LJQANCHMSA-N 0 1 450.739 4.998 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@H](C(C)C)N2CCOCC2)o1 ZINC001361171514 1066487231 /nfs/dbraw/zinc/48/72/31/1066487231.db2.gz VSRNTKQBICGYLU-FYYLOGMGSA-N 0 1 451.615 4.709 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)o1 ZINC001361171469 1066487416 /nfs/dbraw/zinc/48/74/16/1066487416.db2.gz UTTUFLDBAPIBSW-DENIHFKCSA-N 0 1 455.578 4.540 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361175677 1066493526 /nfs/dbraw/zinc/49/35/26/1066493526.db2.gz UQJLWZYXHMKWLN-BVSLBCMMSA-N 0 1 465.642 4.974 20 0 JJADMN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C ZINC001456055623 1066495800 /nfs/dbraw/zinc/49/58/00/1066495800.db2.gz KWRVCJKMXXJAOT-UHFFFAOYSA-N 0 1 457.549 4.752 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361181083 1066502465 /nfs/dbraw/zinc/50/24/65/1066502465.db2.gz PKXUROZZJFNDCR-RTBURBONSA-N 0 1 455.578 4.510 20 0 JJADMN Cn1c(C(=O)N2CCN(C)CC23CCCCC3)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001444771581 1066503267 /nfs/dbraw/zinc/50/32/67/1066503267.db2.gz WEZKJLYXHZZREO-NRFANRHFSA-N 0 1 458.647 4.578 20 0 JJADMN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)o1 ZINC001444847411 1066511442 /nfs/dbraw/zinc/51/14/42/1066511442.db2.gz HBXQFWANCNWBAU-LZJOCLMNSA-N 0 1 456.587 4.903 20 0 JJADMN COc1ccc(-c2nc(C(=O)N3CC[C@H](C)N(Cc4ccccc4)CC3)cs2)cc1OC ZINC001444897717 1066516850 /nfs/dbraw/zinc/51/68/50/1066516850.db2.gz YATYESCTKGOQNF-SFHVURJKSA-N 0 1 451.592 4.564 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191615 1066518856 /nfs/dbraw/zinc/51/88/56/1066518856.db2.gz ADOPJVPIDPVSKD-RPWUZVMVSA-N 0 1 451.611 4.590 20 0 JJADMN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N[C@@H]3CN(C)CC3(C)C)cc12 ZINC001456156887 1066525140 /nfs/dbraw/zinc/52/51/40/1066525140.db2.gz GGRJMFWGLHMVMH-GOSISDBHSA-N 0 1 451.423 4.831 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)[nH]n2)c1C ZINC001444985997 1066526573 /nfs/dbraw/zinc/52/65/73/1066526573.db2.gz KXSOCUPQPZJTNQ-OAHLLOKOSA-N 0 1 451.571 4.998 20 0 JJADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001445051764 1066534460 /nfs/dbraw/zinc/53/44/60/1066534460.db2.gz FVAJFRVUIOYFSA-FOIQADDNSA-N 0 1 450.988 4.887 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(CCCN4CCOCC4)CC3)n2CC(C)(C)C(C)C)o1 ZINC001361204300 1066535081 /nfs/dbraw/zinc/53/50/81/1066535081.db2.gz RUJWUQXQOXCJHJ-UHFFFAOYSA-N 0 1 457.663 4.858 20 0 JJADMN COc1cc(OC)cc(C2(C(=O)N3CCC(c4ncc(C(F)(F)F)[nH]4)CC3)CCCC2)c1 ZINC001456237394 1066541868 /nfs/dbraw/zinc/54/18/68/1066541868.db2.gz YKVSLRNEXBBADT-UHFFFAOYSA-N 0 1 451.489 4.664 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCN(C4CCC(C(C)C)CC4)CC3)[nH]n2)c1C ZINC001445267005 1066550186 /nfs/dbraw/zinc/55/01/86/1066550186.db2.gz DJJLSGWSLYOXBO-XTWGIRIWSA-N 0 1 454.663 4.834 20 0 JJADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363893 1066562621 /nfs/dbraw/zinc/56/26/21/1066562621.db2.gz HJWQLISCYSWOMX-WZONZLPQSA-N 0 1 450.608 4.975 20 0 JJADMN COc1ccc(COC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001456362988 1066571214 /nfs/dbraw/zinc/57/12/14/1066571214.db2.gz CYEACSYZUHZOFA-NRFANRHFSA-N 0 1 459.411 4.794 20 0 JJADMN CC1CCC(N2CCN(C(=O)c3cc(Oc4cccc(Br)c4)ccn3)CC2)CC1 ZINC001456420620 1066582102 /nfs/dbraw/zinc/58/21/02/1066582102.db2.gz UFCSWDKGJSCMBQ-UHFFFAOYSA-N 0 1 458.400 4.973 20 0 JJADMN CCCCc1nc2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@H]3C[C@H]3C)cc2[nH]1 ZINC001445541501 1066585722 /nfs/dbraw/zinc/58/57/22/1066585722.db2.gz OUMWWYJFCBRLIZ-ZBFHGGJFSA-N 0 1 450.539 4.770 20 0 JJADMN CCCCc1nc2ccc(NC(=O)[C@H]3Cc4ccc(O)cc4N3C(=O)OC(C)(C)C)cc2[nH]1 ZINC001445543059 1066586222 /nfs/dbraw/zinc/58/62/22/1066586222.db2.gz QWETYKVALDIJST-OAQYLSRUSA-N 0 1 450.539 4.916 20 0 JJADMN Cc1ccc(CN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCSCC2)s1 ZINC001361249887 1066594664 /nfs/dbraw/zinc/59/46/64/1066594664.db2.gz JAFJMXHEHNKFNY-UHFFFAOYSA-N 0 1 479.622 4.602 20 0 JJADMN Cc1cccc(C)c1OC[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC001445603843 1066594814 /nfs/dbraw/zinc/59/48/14/1066594814.db2.gz FZAVFJDTJWNLKR-MHZLTWQESA-N 0 1 457.618 4.601 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC2(C)C)c1 ZINC001445713020 1066609107 /nfs/dbraw/zinc/60/91/07/1066609107.db2.gz PFVRLRDBSGFBGQ-FQEVSTJZSA-N 0 1 450.988 4.848 20 0 JJADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1c(F)c(F)c(Br)c(F)c1F ZINC001445738344 1066612889 /nfs/dbraw/zinc/61/28/89/1066612889.db2.gz HFMSBHWSUQOANC-JTQLQIEISA-N 0 1 458.209 4.986 20 0 JJADMN O=C(Nc1cc(F)c(O)cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC001456608539 1066641550 /nfs/dbraw/zinc/64/15/50/1066641550.db2.gz RNOUNTITSUDJTF-UHFFFAOYSA-N 0 1 455.294 4.891 20 0 JJADMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(CCO)cc2)c1C ZINC001446012308 1066644826 /nfs/dbraw/zinc/64/48/26/1066644826.db2.gz KEZAXJZAUDARHX-UHFFFAOYSA-N 0 1 452.576 4.508 20 0 JJADMN CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](c2ccco2)N(C)C)C1 ZINC001492609928 1066671932 /nfs/dbraw/zinc/67/19/32/1066671932.db2.gz BGRGYFMFGGSLAX-IBGZPJMESA-N 0 1 474.378 4.899 20 0 JJADMN C[N@H+]1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccc(F)cc1 ZINC001446191968 1066672549 /nfs/dbraw/zinc/67/25/49/1066672549.db2.gz LJUVNYMYYDBLQW-HRAATJIYSA-N 0 1 451.489 4.948 20 0 JJADMN CN1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@H]1c1ccc(F)cc1 ZINC001446191968 1066672555 /nfs/dbraw/zinc/67/25/55/1066672555.db2.gz LJUVNYMYYDBLQW-HRAATJIYSA-N 0 1 451.489 4.948 20 0 JJADMN CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001492616022 1066683077 /nfs/dbraw/zinc/68/30/77/1066683077.db2.gz HVLLEELBOLUSTG-ROUUACIJSA-N 0 1 464.441 4.908 20 0 JJADMN Cc1cc(CN(CC(C)C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)nc(N2CCCCC2)n1 ZINC001446276544 1066683883 /nfs/dbraw/zinc/68/38/83/1066683883.db2.gz VOASGCNRIHRKFC-UHFFFAOYSA-N 0 1 450.562 4.603 20 0 JJADMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001446284316 1066686092 /nfs/dbraw/zinc/68/60/92/1066686092.db2.gz VZCIRJVEDXGQGM-IAGOWNOFSA-N 0 1 453.583 4.919 20 0 JJADMN Cc1nc(CCC(=O)Nc2ccccc2-c2nnc[nH]2)oc1-c1ccc(Br)cc1 ZINC001446328296 1066691223 /nfs/dbraw/zinc/69/12/23/1066691223.db2.gz FCIURZNQEUYFAL-UHFFFAOYSA-N 0 1 452.312 4.769 20 0 JJADMN O=C(Nc1cc(C(=O)OCc2ccccc2)[nH]n1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001456803695 1066695282 /nfs/dbraw/zinc/69/52/82/1066695282.db2.gz WGVOJBMIQPWMDB-UHFFFAOYSA-N 0 1 456.289 4.512 20 0 JJADMN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CCN2CCN(c3ccccc3)CC2)s1 ZINC001492630972 1066706679 /nfs/dbraw/zinc/70/66/79/1066706679.db2.gz CSYWGYPADYBZAP-OAQYLSRUSA-N 0 1 495.741 4.694 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)/C(C)=C\C2CCC(C)CC2)c1 ZINC001446705229 1066732385 /nfs/dbraw/zinc/73/23/85/1066732385.db2.gz BFOQDTIKZUWFEZ-VKAVYKQESA-N 0 1 458.580 4.913 20 0 JJADMN O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(CCCN2CCOCC2)CC1 ZINC001446718016 1066734329 /nfs/dbraw/zinc/73/43/29/1066734329.db2.gz WOHZRYYUQSBFBX-VWLOTQADSA-N 0 1 457.014 4.811 20 0 JJADMN COC(=O)c1cc2[nH]c(NC(=O)c3c[nH]cc3-c3ccc(C)s3)nc2c(Br)c1 ZINC001457013105 1066742157 /nfs/dbraw/zinc/74/21/57/1066742157.db2.gz DYQUHIUBBJKYTK-UHFFFAOYSA-N 0 1 459.325 4.729 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@@H](C)CN2CCOCC2)c1 ZINC001492645774 1066747099 /nfs/dbraw/zinc/74/70/99/1066747099.db2.gz IRQAYSJMVMOBKM-SFHVURJKSA-N 0 1 460.047 4.573 20 0 JJADMN Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccco2)N(C)C)c1 ZINC001492647010 1066750468 /nfs/dbraw/zinc/75/04/68/1066750468.db2.gz CUCRWULEZNTQFG-NRFANRHFSA-N 0 1 453.587 4.910 20 0 JJADMN O=C(CCc1cccc(F)c1Br)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446980441 1066760894 /nfs/dbraw/zinc/76/08/94/1066760894.db2.gz IOROGSOKYMAWRD-QGZVFWFLSA-N 0 1 457.347 4.712 20 0 JJADMN Cc1cscc1Cn1c(CC(C)(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1 ZINC001492653749 1066762481 /nfs/dbraw/zinc/76/24/81/1066762481.db2.gz MGMMFTWSVAUNMW-UHFFFAOYSA-N 0 1 466.699 4.543 20 0 JJADMN COc1cc(C)c(Br)cc1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446989547 1066762451 /nfs/dbraw/zinc/76/24/51/1066762451.db2.gz UUUABTWJOSXDCK-MRXNPFEDSA-N 0 1 455.356 4.571 20 0 JJADMN CCC1(CC)[C@H](NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)[C@H](C)[C@H]1OC ZINC001447023820 1066767400 /nfs/dbraw/zinc/76/74/00/1066767400.db2.gz MDHKOHARARRVRW-JBBXEZCESA-N 0 1 450.988 4.929 20 0 JJADMN CSc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)cc(Br)c3O)CC2=O)cc1 ZINC001447086062 1066772049 /nfs/dbraw/zinc/77/20/49/1066772049.db2.gz ANJVHHUWXLQNQR-SNVBAGLBSA-N 0 1 455.761 4.522 20 0 JJADMN CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(Cl)cc(Br)c2O)CC2(CCC2)C1 ZINC001447097579 1066772553 /nfs/dbraw/zinc/77/25/53/1066772553.db2.gz YLJZRLCUZCFWHS-UHFFFAOYSA-N 0 1 459.768 4.974 20 0 JJADMN Cc1[nH]c(=O)c(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107081 1066774300 /nfs/dbraw/zinc/77/43/00/1066774300.db2.gz SAUVCBJFHGNTGU-JPYJTQIMSA-N 0 1 453.945 4.978 20 0 JJADMN Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)c12 ZINC001447286268 1066788198 /nfs/dbraw/zinc/78/81/98/1066788198.db2.gz MAPHQJXYIGQMGS-LBPRGKRZSA-N 0 1 458.444 4.950 20 0 JJADMN CN1CCCC[C@H]1C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316173 1066790986 /nfs/dbraw/zinc/79/09/86/1066790986.db2.gz QGAFUMUZDKNJGR-WUFINQPMSA-N 0 1 458.602 4.812 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H](c2ccco2)N(C)C)cs1 ZINC001492666566 1066792561 /nfs/dbraw/zinc/79/25/61/1066792561.db2.gz YWOFMSRWCMZAGR-QGZVFWFLSA-N 0 1 477.059 4.881 20 0 JJADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001457226084 1066794636 /nfs/dbraw/zinc/79/46/36/1066794636.db2.gz SIRCWRZQAUKSFR-UHFFFAOYSA-N 0 1 451.405 4.712 20 0 JJADMN Cc1cc(C(=O)Nc2n[nH]c3nc(C(F)(F)F)ccc23)nn1-c1cccc(C(F)(F)F)c1 ZINC001457230866 1066795501 /nfs/dbraw/zinc/79/55/01/1066795501.db2.gz WGFKKPLSSYZUGR-UHFFFAOYSA-N 0 1 454.334 4.742 20 0 JJADMN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC001457269277 1066800750 /nfs/dbraw/zinc/80/07/50/1066800750.db2.gz FPNLISHZHKROMT-MRXNPFEDSA-N 0 1 454.596 4.940 20 0 JJADMN O=C(c1cccc(C(F)(F)F)c1O)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001457292483 1066805296 /nfs/dbraw/zinc/80/52/96/1066805296.db2.gz OIEOTEZMXRPGBP-UHFFFAOYSA-N 0 1 458.274 4.995 20 0 JJADMN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)C1 ZINC001457315854 1066808608 /nfs/dbraw/zinc/80/86/08/1066808608.db2.gz MULIAAGQUXHEQY-CABCVRRESA-N 0 1 456.340 4.910 20 0 JJADMN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)C1 ZINC001457315856 1066808718 /nfs/dbraw/zinc/80/87/18/1066808718.db2.gz MULIAAGQUXHEQY-GJZGRUSLSA-N 0 1 456.340 4.910 20 0 JJADMN CCc1ccc2c(c1)[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)CCO2 ZINC001447451344 1066810871 /nfs/dbraw/zinc/81/08/71/1066810871.db2.gz JQKQZQVARYHZCF-LJQANCHMSA-N 0 1 456.589 4.673 20 0 JJADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)[C@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC001447488027 1066814538 /nfs/dbraw/zinc/81/45/38/1066814538.db2.gz RVONNJPZEUSULU-JOCHJYFZSA-N 0 1 450.514 4.942 20 0 JJADMN Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H](c2ccsc2)N(C)C)cs1 ZINC001492677177 1066816095 /nfs/dbraw/zinc/81/60/95/1066816095.db2.gz YDTROWLYXKTVEC-WIYYLYMNSA-N 0 1 458.701 4.871 20 0 JJADMN Cn1nccc1CCC(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl ZINC001457380758 1066819482 /nfs/dbraw/zinc/81/94/82/1066819482.db2.gz DJYDSCZYYLDIPH-UHFFFAOYSA-N 0 1 458.747 4.951 20 0 JJADMN CC(C)([C@@H](NC(=O)c1ccc(C2N=NC(=S)O2)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001447558476 1066822105 /nfs/dbraw/zinc/82/21/05/1066822105.db2.gz MWHVJLFNNBASMP-IBGZPJMESA-N 0 1 458.534 4.649 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccc(Cl)s2)n1 ZINC001492687434 1066832967 /nfs/dbraw/zinc/83/29/67/1066832967.db2.gz XMKVGCLQTSOUQA-ZDUSSCGKSA-N 0 1 475.981 4.578 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccc(Cl)s2)[nH]1 ZINC001492687434 1066832971 /nfs/dbraw/zinc/83/29/71/1066832971.db2.gz XMKVGCLQTSOUQA-ZDUSSCGKSA-N 0 1 475.981 4.578 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC001492688921 1066835129 /nfs/dbraw/zinc/83/51/29/1066835129.db2.gz VMDCEWAKFYQABI-HDICACEKSA-N 0 1 487.599 4.767 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)[nH]1 ZINC001492688921 1066835131 /nfs/dbraw/zinc/83/51/31/1066835131.db2.gz VMDCEWAKFYQABI-HDICACEKSA-N 0 1 487.599 4.767 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)c2ccco2)n1 ZINC001492691298 1066836808 /nfs/dbraw/zinc/83/68/08/1066836808.db2.gz DRQIPFHSNDDHPO-KRWDZBQOSA-N 0 1 463.586 4.614 20 0 JJADMN Cc1nnc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)c2ccco2)[nH]1 ZINC001492691298 1066836815 /nfs/dbraw/zinc/83/68/15/1066836815.db2.gz DRQIPFHSNDDHPO-KRWDZBQOSA-N 0 1 463.586 4.614 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)c2ccco2)n1 ZINC001492691299 1066836825 /nfs/dbraw/zinc/83/68/25/1066836825.db2.gz DRQIPFHSNDDHPO-QGZVFWFLSA-N 0 1 463.586 4.614 20 0 JJADMN Cc1nnc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)c2ccco2)[nH]1 ZINC001492691299 1066836831 /nfs/dbraw/zinc/83/68/31/1066836831.db2.gz DRQIPFHSNDDHPO-QGZVFWFLSA-N 0 1 463.586 4.614 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NOCc3ccc(F)cc3Br)CCCC[C@H]12 ZINC001447800827 1066861402 /nfs/dbraw/zinc/86/14/02/1066861402.db2.gz GWWKHBLFCKGHID-LAUBAEHRSA-N 0 1 471.367 4.706 20 0 JJADMN CC[C@@]1(C)Oc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2O1 ZINC001447803282 1066862710 /nfs/dbraw/zinc/86/27/10/1066862710.db2.gz QCZAWBQAHMJPHM-QHCPKHFHSA-N 0 1 456.495 4.776 20 0 JJADMN COc1ccc(-c2n[nH]c(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)n2)c(OC)c1 ZINC001457577717 1066869839 /nfs/dbraw/zinc/86/98/39/1066869839.db2.gz QVVLQSMCIAUXCV-UHFFFAOYSA-N 0 1 456.502 4.589 20 0 JJADMN Cn1nc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1NC(=O)OC(C)(C)C ZINC001457615012 1066879035 /nfs/dbraw/zinc/87/90/35/1066879035.db2.gz TZUCATXAALXUNX-UHFFFAOYSA-N 0 1 450.474 4.702 20 0 JJADMN Cc1ccc(CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c(OC[C@@H]2CCOC2)c1 ZINC001457623621 1066884461 /nfs/dbraw/zinc/88/44/61/1066884461.db2.gz KTWPMLZZGDOVSO-RUZDIDTESA-N 0 1 458.602 4.972 20 0 JJADMN CC(C)C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1ccc(Cl)cc1 ZINC001448007373 1066889922 /nfs/dbraw/zinc/88/99/22/1066889922.db2.gz LQEXKETUFQZVGI-HXUWFJFHSA-N 0 1 458.971 4.699 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(OC(F)F)cc4)no3)[nH]n2)c(OC)c1 ZINC001457653756 1066890940 /nfs/dbraw/zinc/89/09/40/1066890940.db2.gz AUDNYEGZBZLMAJ-UHFFFAOYSA-N 0 1 456.405 4.603 20 0 JJADMN CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CC1 ZINC001457707435 1066901379 /nfs/dbraw/zinc/90/13/79/1066901379.db2.gz MREXEQLNHBCMAX-UHFFFAOYSA-N 0 1 457.777 4.528 20 0 JJADMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001448125038 1066902370 /nfs/dbraw/zinc/90/23/70/1066902370.db2.gz XGOOSNPFQZKKCL-UHFFFAOYSA-N 0 1 455.294 4.891 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3Cl)[nH]c2c1 ZINC001448125862 1066902479 /nfs/dbraw/zinc/90/24/79/1066902479.db2.gz SGFGOLYOCKWOSO-ZDUSSCGKSA-N 0 1 458.946 4.992 20 0 JJADMN COc1ccc2c(c1)[nH]cc(C(=O)NCC1(c3cccc(Br)c3)CCCC1)c2=O ZINC001457716179 1066903358 /nfs/dbraw/zinc/90/33/58/1066903358.db2.gz IUSHUNMRVFMYJI-UHFFFAOYSA-N 0 1 455.352 4.541 20 0 JJADMN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2c3[nH]cnc3ccc2F)cc1 ZINC001448354262 1066919127 /nfs/dbraw/zinc/91/91/27/1066919127.db2.gz MPPILEZTTXVFLB-FQEVSTJZSA-N 0 1 452.530 4.699 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001457788665 1066920711 /nfs/dbraw/zinc/92/07/11/1066920711.db2.gz NCZVTDLDCLVOCR-NBGIEHNGSA-N 0 1 457.574 4.846 20 0 JJADMN O=C(Nc1cc([O-])c(Br)cc1Br)c1ccc(C[NH+]2CCCC2)cc1 ZINC001457789552 1066921423 /nfs/dbraw/zinc/92/14/23/1066921423.db2.gz UORASJYRTRGFPY-UHFFFAOYSA-N 0 1 454.162 4.765 20 0 JJADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(Cl)cc(Br)c3[O-])C2)s1 ZINC001457803618 1066924141 /nfs/dbraw/zinc/92/41/41/1066924141.db2.gz GHHVZWPMJHJVEC-ZDUSSCGKSA-N 0 1 457.821 4.772 20 0 JJADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(Cl)cc(Br)c3[O-])C2)s1 ZINC001457803608 1066924162 /nfs/dbraw/zinc/92/41/62/1066924162.db2.gz GHHVZWPMJHJVEC-CYBMUJFWSA-N 0 1 457.821 4.772 20 0 JJADMN CC(C)[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437199 1066927071 /nfs/dbraw/zinc/92/70/71/1066927071.db2.gz JUCGNRLTJRFRDB-XZOQPEGZSA-N 0 1 457.590 4.664 20 0 JJADMN C[C@@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)N1CCc2ccccc2C1 ZINC001448461471 1066930128 /nfs/dbraw/zinc/93/01/28/1066930128.db2.gz WHNJCKPUKXCRQH-KRWDZBQOSA-N 0 1 450.476 4.819 20 0 JJADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001448506373 1066934686 /nfs/dbraw/zinc/93/46/86/1066934686.db2.gz QIVFWUKAHWWVJS-UHFFFAOYSA-N 0 1 453.896 4.896 20 0 JJADMN COc1ccc(C(=O)N2CCCCc3sccc32)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001448575402 1066939942 /nfs/dbraw/zinc/93/99/42/1066939942.db2.gz SVIQHAWPDMEZRF-UHFFFAOYSA-N 0 1 456.589 4.849 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)ccc1C ZINC001457927610 1066942292 /nfs/dbraw/zinc/94/22/92/1066942292.db2.gz SWBSRPSQPPAPBQ-BVZFJXPGSA-N 0 1 458.624 4.997 20 0 JJADMN CC[C@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001546095550 1066950613 /nfs/dbraw/zinc/95/06/13/1066950613.db2.gz OVWFSEVGMBZDPY-WIOPSUGQSA-N 0 1 453.656 4.547 20 0 JJADMN O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccc(I)cc1F ZINC001457983723 1066951981 /nfs/dbraw/zinc/95/19/81/1066951981.db2.gz JYSSRZRNOZNTGR-UHFFFAOYSA-N 0 1 458.234 4.621 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCSC(C)(C)CC2)ccc1Cl ZINC001448725199 1066953930 /nfs/dbraw/zinc/95/39/30/1066953930.db2.gz GPJLCGDYKPUIIW-UHFFFAOYSA-N 0 1 453.029 4.807 20 0 JJADMN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)NCCN1CC=CCC1 ZINC001448783411 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LCGSJGSDQYSEAG-NSHDSACASA-N 0 1 451.758 4.622 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3CCC(F)(Cc4ccc(Cl)cc4)CC3)n[nH]2)c(OC)c1 ZINC001449919776 1067037690 /nfs/dbraw/zinc/03/76/90/1067037690.db2.gz WPQBHHBYSNTPRL-UHFFFAOYSA-N 0 1 457.933 4.934 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758351 1067037896 /nfs/dbraw/zinc/03/78/96/1067037896.db2.gz FDQRHYSJEJUSLE-NZQKXSOJSA-N 0 1 475.628 4.802 20 0 JJADMN COc1cc(C(=O)Nc2cccc3[nH]nnc32)ccc1OCc1ccc(Br)cc1 ZINC001449942202 1067038334 /nfs/dbraw/zinc/03/83/34/1067038334.db2.gz PMDNXVSGQXFJTL-UHFFFAOYSA-N 0 1 453.296 4.560 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758597 1067038923 /nfs/dbraw/zinc/03/89/23/1067038923.db2.gz JKAYLJAHEYWMBS-SQJMNOBHSA-N 0 1 463.674 4.560 20 0 JJADMN O=C(NCc1ccc2nc[nH]c2c1)c1cccnc1SCc1cccc(Br)c1 ZINC001449976727 1067039721 /nfs/dbraw/zinc/03/97/21/1067039721.db2.gz FRXYPSVDEKZCSP-UHFFFAOYSA-N 0 1 453.365 4.943 20 0 JJADMN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001449988024 1067040073 /nfs/dbraw/zinc/04/00/73/1067040073.db2.gz XTJIRSRTVMTPSF-CHWSQXEVSA-N 0 1 455.971 4.706 20 0 JJADMN CCCC[C@@H](C)N(CCCC)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC001450070276 1067046840 /nfs/dbraw/zinc/04/68/40/1067046840.db2.gz DFYJACLLYOLGEC-CQSZACIVSA-N 0 1 454.352 4.954 20 0 JJADMN Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458444602 1067061939 /nfs/dbraw/zinc/06/19/39/1067061939.db2.gz AJDFYQDMWPNBDW-HRAATJIYSA-N 0 1 453.783 4.902 20 0 JJADMN Cc1ccc(C2(C(=O)NC[C@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445442 1067062703 /nfs/dbraw/zinc/06/27/03/1067062703.db2.gz CGVYLKKBNCABLY-HYBUGGRVSA-N 0 1 459.005 4.953 20 0 JJADMN COc1ccc(CC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446463 1067063249 /nfs/dbraw/zinc/06/32/49/1067063249.db2.gz GUWXXHZJPBOOJQ-VFNWGFHPSA-N 0 1 455.357 4.501 20 0 JJADMN 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O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC001450355789 1067073074 /nfs/dbraw/zinc/07/30/74/1067073074.db2.gz IMQDOOWNRDOZAO-QGZVFWFLSA-N 0 1 456.951 4.897 20 0 JJADMN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC001458522435 1067080044 /nfs/dbraw/zinc/08/00/44/1067080044.db2.gz WODNUUPJUJOUFC-UHFFFAOYSA-N 0 1 450.524 4.989 20 0 JJADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)c2nccc(C)c2c1 ZINC001458538685 1067084392 /nfs/dbraw/zinc/08/43/92/1067084392.db2.gz UOCJEHZLXVUICS-UHFFFAOYSA-N 0 1 453.384 4.618 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4cccc(Br)c4n3)n2)cc1 ZINC001545790554 1067087502 /nfs/dbraw/zinc/08/75/02/1067087502.db2.gz QHLBJFSLGLQFJD-UHFFFAOYSA-N 0 1 454.353 4.822 20 0 JJADMN CC[C@H](c1ccccc1OC)N(C)C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001450601193 1067093649 /nfs/dbraw/zinc/09/36/49/1067093649.db2.gz BKUANPMHNICCED-OAQYLSRUSA-N 0 1 453.608 4.864 20 0 JJADMN Cc1c(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC001450631352 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/nfs/dbraw/zinc/13/47/38/1067134738.db2.gz FKIXUKRFPFAVPF-RUZDIDTESA-N 0 1 450.539 4.804 20 0 JJADMN Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC001545808547 1067135058 /nfs/dbraw/zinc/13/50/58/1067135058.db2.gz BNEYQPULHQDXDF-UHFFFAOYSA-N 0 1 451.592 4.727 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)OC1CCCC1)N1CCOCC1 ZINC001545809853 1067136891 /nfs/dbraw/zinc/13/68/91/1067136891.db2.gz LMHHIXMKZXPZDN-QHCPKHFHSA-N 0 1 459.610 4.532 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C)[C@@H](C)C1)N1CCOCC1 ZINC001545809993 1067137008 /nfs/dbraw/zinc/13/70/08/1067137008.db2.gz OILBZTKHUMDFMP-HFMPRLQTSA-N 0 1 469.674 4.573 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545810363 1067138275 /nfs/dbraw/zinc/13/82/75/1067138275.db2.gz VDNLGIKSLJTEMT-VWNXMTODSA-N 0 1 483.701 4.963 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC(F)(F)F)N1CCOCC1 ZINC001545810441 1067138304 /nfs/dbraw/zinc/13/83/04/1067138304.db2.gz 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CCC1(CC)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001546105106 1067208024 /nfs/dbraw/zinc/20/80/24/1067208024.db2.gz VEKJVLZKOWXSFP-JOCHJYFZSA-N 0 1 491.627 4.920 20 0 JJADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC001452162839 1067211623 /nfs/dbraw/zinc/21/16/23/1067211623.db2.gz WVYPLUSEJIWWDV-UHFFFAOYSA-N 0 1 451.611 4.838 20 0 JJADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001452246655 1067215763 /nfs/dbraw/zinc/21/57/63/1067215763.db2.gz ACCNQJXCNDZGNI-JOCHJYFZSA-N 0 1 454.368 4.643 20 0 JJADMN COc1cccc2nc(NC(=O)CCCCCn3c(=O)c4ccccc4[nH]c3=S)sc21 ZINC001452488154 1067227131 /nfs/dbraw/zinc/22/71/31/1067227131.db2.gz YULDXBREVBFRFK-UHFFFAOYSA-N 0 1 454.577 4.503 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC001546105747 1067233728 /nfs/dbraw/zinc/23/37/28/1067233728.db2.gz UZVBHQRWQZLLPG-HSZRJFAPSA-N 0 1 454.548 4.580 20 0 JJADMN CCCc1ccc(C(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC001452960666 1067267606 /nfs/dbraw/zinc/26/76/06/1067267606.db2.gz PKNIYVYQAUCXKS-RDJZCZTQSA-N 0 1 472.504 4.525 20 0 JJADMN COc1ccc([C@@H]2CCN(C(=O)/C=C/C3CCCCCC3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001452961649 1067268151 /nfs/dbraw/zinc/26/81/51/1067268151.db2.gz RKJLPSVLMMOTHL-QYLKWSRPSA-N 0 1 470.507 4.724 20 0 JJADMN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC001452999778 1067273781 /nfs/dbraw/zinc/27/37/81/1067273781.db2.gz WEZOEFRNUZBHHD-JOCHJYFZSA-N 0 1 454.533 4.544 20 0 JJADMN CCOc1ccccc1-c1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)n[nH]1 ZINC001453029991 1067275054 /nfs/dbraw/zinc/27/50/54/1067275054.db2.gz HLJNPSGWGIZEPX-OYHNWAKOSA-N 0 1 470.367 4.840 20 0 JJADMN COCCn1c(=O)cc(O)nc1SCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC001459280641 1067282037 /nfs/dbraw/zinc/28/20/37/1067282037.db2.gz DZVCTNBHBFLNRL-UHFFFAOYSA-N 0 1 453.347 4.987 20 0 JJADMN 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AJWBHFHNGVZOQO-HKUYNNGSSA-N 0 1 456.530 4.631 20 0 JJADMN COc1cc2ccccc2cc1-c1nnc(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001459614361 1067364688 /nfs/dbraw/zinc/36/46/88/1067364688.db2.gz PWQUFLCCWRCQNJ-UHFFFAOYSA-N 0 1 452.555 4.730 20 0 JJADMN COc1ccc2c(c1)CN(CC(=O)NCCCOc1ccccc1F)[C@H](C1CCCCC1)C2 ZINC001459664194 1067375888 /nfs/dbraw/zinc/37/58/88/1067375888.db2.gz LBNPFONKJSTRCC-VWLOTQADSA-N 0 1 454.586 4.727 20 0 JJADMN CC(C)(C)OC(=O)NCCCCCCCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001459671299 1067378987 /nfs/dbraw/zinc/37/89/87/1067378987.db2.gz LUYHAUWZIPIUFJ-JOCHJYFZSA-N 0 1 459.631 4.890 20 0 JJADMN Cc1cc(C)c(CCNC(=O)CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684501 1067382640 /nfs/dbraw/zinc/38/26/40/1067382640.db2.gz IMGMEOMMHCYFRB-RPWUZVMVSA-N 0 1 457.659 4.525 20 0 JJADMN CC[C@H](C)N(CCC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459690858 1067385062 /nfs/dbraw/zinc/38/50/62/1067385062.db2.gz ALWJKQLDBKPTQK-HNNXBMFYSA-N 0 1 457.372 4.727 20 0 JJADMN O=C(CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Nc1ccc(Cl)cn1 ZINC001459694210 1067386274 /nfs/dbraw/zinc/38/62/74/1067386274.db2.gz JOLUOCOVFPVPJT-UHFFFAOYSA-N 0 1 451.954 4.548 20 0 JJADMN O=C(N1CCC(CCCN2CCOCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001546111388 1067395033 /nfs/dbraw/zinc/39/50/33/1067395033.db2.gz HAZHAYQUEOCYSB-UHFFFAOYSA-N 0 1 452.561 4.868 20 0 JJADMN Cn1cc([C@H](O)C[C@H]2CCCN2[C@H](c2ccc(F)cc2)c2ccc(Br)cc2)cn1 ZINC001459766907 1067413885 /nfs/dbraw/zinc/41/38/85/1067413885.db2.gz BTWFEDQRGLOOSS-ZLNRFVROSA-N 0 1 458.375 4.999 20 0 JJADMN O[C@H](COc1ccccc1C(F)(F)F)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790051 1067423408 /nfs/dbraw/zinc/42/34/08/1067423408.db2.gz ZKKJHUSHDZXZJE-STQMWFEESA-N 0 1 454.436 4.800 20 0 JJADMN CCC[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CCN1Cc1ccccc1 ZINC001459812190 1067433935 /nfs/dbraw/zinc/43/39/35/1067433935.db2.gz CIFYAVPNKFMTTF-JTHBVZDNSA-N 0 1 456.428 4.689 20 0 JJADMN CC(C)(C)NC(=O)CNC(=O)CN[C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC001459826932 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0 1 456.178 4.900 20 0 JJADMN CC[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894747 1067477287 /nfs/dbraw/zinc/47/72/87/1067477287.db2.gz XNNWKSGDEWZEFZ-FIXDAVPBSA-N 0 1 457.659 4.756 20 0 JJADMN COc1ccc2oc([C@H](C)NCC(=O)NCCc3ccc(OC(F)(F)F)cc3)c(C)c2c1 ZINC001459901026 1067479619 /nfs/dbraw/zinc/47/96/19/1067479619.db2.gz FHMQQEFGJQXMCB-HNNXBMFYSA-N 0 1 450.457 4.658 20 0 JJADMN CCOC(=O)C1C(CN[C@@H](C)c2ccc(Cl)s2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459915909 1067488850 /nfs/dbraw/zinc/48/88/50/1067488850.db2.gz XFDDWTURYMNUHE-BBATYDOGSA-N 0 1 454.379 4.577 20 0 JJADMN CC(C)CNC(=O)c1cccc(CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951805 1067504851 /nfs/dbraw/zinc/50/48/51/1067504851.db2.gz QTBQDYICMOHWOC-VWNXMTODSA-N 0 1 459.993 4.705 20 0 JJADMN CC[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1cc(F)cc(Br)c1 ZINC001459963444 1067509239 /nfs/dbraw/zinc/50/92/39/1067509239.db2.gz OZWLSKGPNPGDIH-INIZCTEOSA-N 0 1 450.377 4.598 20 0 JJADMN CN(Cc1ccc([Si](C)(C)C)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001459968429 1067510347 /nfs/dbraw/zinc/51/03/47/1067510347.db2.gz WMOCNMMSJDFECM-UHFFFAOYSA-N 0 1 450.493 4.776 20 0 JJADMN CC(=O)c1cccc(NC(=O)CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 ZINC001459984283 1067515566 /nfs/dbraw/zinc/51/55/66/1067515566.db2.gz ASQSFRVBHZVXIL-JOCHJYFZSA-N 0 1 452.352 4.559 20 0 JJADMN C[C@@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999645 1067521482 /nfs/dbraw/zinc/52/14/82/1067521482.db2.gz SQENNBWDQPEOEN-JLCFBVMHSA-N 0 1 458.375 4.858 20 0 JJADMN CCCOc1ccc(C(C)(C)NCC(=O)Nc2ccccc2I)cc1 ZINC001460003532 1067522691 /nfs/dbraw/zinc/52/26/91/1067522691.db2.gz IEBCRJKNNSIEJV-UHFFFAOYSA-N 0 1 452.336 4.543 20 0 JJADMN COC(=O)c1ccc(-c2nc(CN[C@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)cc1 ZINC001460024335 1067532340 /nfs/dbraw/zinc/53/23/40/1067532340.db2.gz INFCBAXKVRNXAM-HXUWFJFHSA-N 0 1 459.612 4.770 20 0 JJADMN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460031231 1067534558 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LXYUBSHLFYOUQX-MMOPVJDHSA-N 0 1 472.427 4.730 20 0 JJADMN COc1ccc(/C(C)=C\C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)cc1 ZINC001460095748 1067553609 /nfs/dbraw/zinc/55/36/09/1067553609.db2.gz XQMIWSQPXOYQEB-NOCRFKNCSA-N 0 1 458.400 4.640 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110514 1067556884 /nfs/dbraw/zinc/55/68/84/1067556884.db2.gz PKKGVOUUVRHCSJ-IAGOWNOFSA-N 0 1 455.521 4.613 20 0 JJADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122644 1067559654 /nfs/dbraw/zinc/55/96/54/1067559654.db2.gz IIUWKMCVHIZRMB-KRWDZBQOSA-N 0 1 458.006 4.504 20 0 JJADMN COc1cc(NC(=O)CCN(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)cc1Cl ZINC001460127320 1067560476 /nfs/dbraw/zinc/56/04/76/1067560476.db2.gz QVZXYPDTJIEONO-LBPRGKRZSA-N 0 1 451.354 4.909 20 0 JJADMN O=C(CN[C@@H](CCO)c1cccc(C(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143087 1067563935 /nfs/dbraw/zinc/56/39/35/1067563935.db2.gz VKDDQFIZNYGKBO-JTHBVZDNSA-N 0 1 452.492 4.905 20 0 JJADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157898 1067566908 /nfs/dbraw/zinc/56/69/08/1067566908.db2.gz NLGVZFCKYRAHPP-OALUTQOASA-N 0 1 450.023 4.946 20 0 JJADMN Cc1nc(NC(=O)CN(C[C@H](C)c2ccccc2)[C@@H](C)CO)sc1Cc1ccc(C)cc1 ZINC001460173899 1067570667 /nfs/dbraw/zinc/57/06/67/1067570667.db2.gz USYAOYGAWDTPJI-PMACEKPBSA-N 0 1 451.636 4.776 20 0 JJADMN Cc1ccc(F)c(N2CCC[C@@H](N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)C2=O)c1 ZINC001460206352 1067578872 /nfs/dbraw/zinc/57/88/72/1067578872.db2.gz FQNZQNMWEXDDAU-OAQYLSRUSA-N 0 1 459.606 4.743 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001460207506 1067579320 /nfs/dbraw/zinc/57/93/20/1067579320.db2.gz KQHFZULVNBJQNC-YPAWHYETSA-N 0 1 481.420 4.509 20 0 JJADMN COc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217069 1067581754 /nfs/dbraw/zinc/58/17/54/1067581754.db2.gz WYFFXUTWSBSHNO-PZJWPPBQSA-N 0 1 456.587 4.747 20 0 JJADMN Cc1cc(Br)ccc1CN(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001460218539 1067582420 /nfs/dbraw/zinc/58/24/20/1067582420.db2.gz OJNGEGKNHLBRFK-FGZHOGPDSA-N 0 1 475.427 4.740 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001460217809 1067582501 /nfs/dbraw/zinc/58/25/01/1067582501.db2.gz KQHFZULVNBJQNC-BHIFYINESA-N 0 1 481.420 4.509 20 0 JJADMN COc1ccc([C@H](O)CN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238564 1067588152 /nfs/dbraw/zinc/58/81/52/1067588152.db2.gz IVQJASRLGWDRJY-DOQQYFFYSA-N 0 1 452.639 4.699 20 0 JJADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001460240532 1067589094 /nfs/dbraw/zinc/58/90/94/1067589094.db2.gz LTMXLYJYNHGKRD-IRXDYDNUSA-N 0 1 456.562 4.622 20 0 JJADMN CC(C)(C)OC(=O)CC[C@@H]1CCCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260979 1067592854 /nfs/dbraw/zinc/59/28/54/1067592854.db2.gz XLIBBJODNADTBE-LPHOPBHVSA-N 0 1 456.505 4.524 20 0 JJADMN OCC[C@@H](NCc1ccc(OCc2ccccc2F)nc1)c1cccc(OC(F)(F)F)c1 ZINC001460292044 1067600032 /nfs/dbraw/zinc/60/00/32/1067600032.db2.gz NCVUYTLURIPTLS-OAQYLSRUSA-N 0 1 450.432 4.912 20 0 JJADMN COC(=O)[C@@H]1CN([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1c1ccc(O)cc1 ZINC001460308768 1067604677 /nfs/dbraw/zinc/60/46/77/1067604677.db2.gz RJGGIFLMZOCKFV-UYHISHBKSA-N 0 1 462.333 4.699 20 0 JJADMN O=C(c1cncc(C(F)(F)F)c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001460347487 1067613730 /nfs/dbraw/zinc/61/37/30/1067613730.db2.gz DXNJTOYDWYQFPR-QHCPKHFHSA-N 0 1 454.496 4.802 20 0 JJADMN CCOC(=O)C1C(CN[C@@H](c2ccccc2F)C(C)C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460366393 1067619520 /nfs/dbraw/zinc/61/95/20/1067619520.db2.gz WFQFEMZPQNBQOU-YADHBBJMSA-N 0 1 459.949 4.637 20 0 JJADMN CCc1ccc([C@H](NC(=O)CN2CC[C@H](C(=O)OC)[C@H]3CCCC[C@H]32)c2cccs2)cc1 ZINC001460368408 1067619977 /nfs/dbraw/zinc/61/99/77/1067619977.db2.gz XXGSVCXIABOYNP-FFHOAYQKSA-N 0 1 454.636 4.570 20 0 JJADMN CCc1ccc(NC(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 ZINC001460411519 1067629806 /nfs/dbraw/zinc/62/98/06/1067629806.db2.gz QLQVFKYIFJUFGV-DHIUTWEWSA-N 0 1 455.574 4.709 20 0 JJADMN CC[C@]1(Cc2ccccc2)CCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460413841 1067630833 /nfs/dbraw/zinc/63/08/33/1067630833.db2.gz XUEUCYGIYROPEX-ZJSXRUAMSA-N 0 1 459.512 4.780 20 0 JJADMN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CC(C)(C)CCC1(C)C ZINC001460457996 1067637423 /nfs/dbraw/zinc/63/74/23/1067637423.db2.gz BSIHUWTUDVSVAB-UHFFFAOYSA-N 0 1 453.583 4.795 20 0 JJADMN C[C@H](c1ccccc1Br)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 ZINC001460533823 1067652723 /nfs/dbraw/zinc/65/27/23/1067652723.db2.gz FWSCOZNXTRVHBR-CQSZACIVSA-N 0 1 456.306 4.965 20 0 JJADMN Cc1cccc(C[C@@]2(C)CCCN2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001460563726 1067656419 /nfs/dbraw/zinc/65/64/19/1067656419.db2.gz ZHQSTQHKTUIJCX-ZJSXRUAMSA-N 0 1 459.512 4.698 20 0 JJADMN COc1ccc([C@H]2CCN([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570462 1067658184 /nfs/dbraw/zinc/65/81/84/1067658184.db2.gz OUBUQMNZOGOGHV-GHTZIAJQSA-N 0 1 450.476 4.834 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647537 1067685324 /nfs/dbraw/zinc/68/53/24/1067685324.db2.gz ACEYUVUWDQNDRO-OZXSUGGESA-N 0 1 458.549 4.743 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(CC[C@@H]1Sc3ccccc3NC1=O)C2 ZINC001460675758 1067697075 /nfs/dbraw/zinc/69/70/75/1067697075.db2.gz QHUIBWGXVRNNNE-NRFANRHFSA-N 0 1 455.580 4.731 20 0 JJADMN Cc1ccc([C@@H]2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697433 1067703709 /nfs/dbraw/zinc/70/37/09/1067703709.db2.gz OZUKFHUQKZHWMT-GHTZIAJQSA-N 0 1 459.512 4.869 20 0 JJADMN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001460721931 1067709342 /nfs/dbraw/zinc/70/93/42/1067709342.db2.gz DBTIAQZIJMPUTD-IFMALSPDSA-N 0 1 452.986 4.798 20 0 JJADMN COc1cc2c(cc1OC)[C@H](C)N(CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC001460723759 1067709971 /nfs/dbraw/zinc/70/99/71/1067709971.db2.gz GYUWXWGXNBVOGJ-ZDUSSCGKSA-N 0 1 451.336 4.553 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2[nH]nc3ccc(Cl)cc32)CC[C@H]1c1ccc(F)cc1 ZINC001460744606 1067714020 /nfs/dbraw/zinc/71/40/20/1067714020.db2.gz JUMJHQHOLIUYDJ-FXAWDEMLSA-N 0 1 472.948 4.878 20 0 JJADMN CC(=O)Nc1ccc(NC(=O)CN2CCCC[C@H]2CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC001460762002 1067719075 /nfs/dbraw/zinc/71/90/75/1067719075.db2.gz PYNKPGCKAFIYGI-SFHVURJKSA-N 0 1 455.521 4.542 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460779606 1067722140 /nfs/dbraw/zinc/72/21/40/1067722140.db2.gz WYHNJPOLYGZQDE-AREMUKBSSA-N 0 1 456.583 4.674 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460779606 1067722145 /nfs/dbraw/zinc/72/21/45/1067722145.db2.gz WYHNJPOLYGZQDE-AREMUKBSSA-N 0 1 456.583 4.674 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460779606 1067722152 /nfs/dbraw/zinc/72/21/52/1067722152.db2.gz WYHNJPOLYGZQDE-AREMUKBSSA-N 0 1 456.583 4.674 20 0 JJADMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](N[C@H](CC)CO)c1ccccc1 ZINC001460796998 1067725418 /nfs/dbraw/zinc/72/54/18/1067725418.db2.gz ZGHZOQAUQMIVCM-DENIHFKCSA-N 0 1 452.576 4.632 20 0 JJADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460879692 1067741211 /nfs/dbraw/zinc/74/12/11/1067741211.db2.gz AEWUMQCTSJCBFE-RZUBCFFCSA-N 0 1 467.610 4.685 20 0 JJADMN CCOc1ccc(CCN(C)[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC001460921117 1067748423 /nfs/dbraw/zinc/74/84/23/1067748423.db2.gz UZRFUFNEBBYOFP-SFHVURJKSA-N 0 1 451.592 4.901 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1nnc(-c3c(Cl)cccc3Cl)o1)C2 ZINC001460931875 1067750504 /nfs/dbraw/zinc/75/05/04/1067750504.db2.gz QVARCRUDFYFBMV-IHRRRGAJSA-N 0 1 453.370 4.921 20 0 JJADMN COCC[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c2ccccc21 ZINC001460949024 1067752373 /nfs/dbraw/zinc/75/23/73/1067752373.db2.gz GZUAKOFTHQCRRR-NBGIEHNGSA-N 0 1 456.030 4.624 20 0 JJADMN COC(=O)[C@H](C)Oc1ccccc1CNCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001461026878 1067764847 /nfs/dbraw/zinc/76/48/47/1067764847.db2.gz YULIRVMRPNAKKY-NRFANRHFSA-N 0 1 455.558 4.829 20 0 JJADMN CCCCNC(=O)c1ccc(CNCc2cn(-c3ccccc3Br)nc2C)cc1 ZINC001461043889 1067768575 /nfs/dbraw/zinc/76/85/75/1067768575.db2.gz WLUKTOMWVZQQRI-UHFFFAOYSA-N 0 1 455.400 4.763 20 0 JJADMN FC(F)(F)Oc1ccc(CCNCc2c(Br)cncc2Br)cc1 ZINC001461056322 1067771429 /nfs/dbraw/zinc/77/14/29/1067771429.db2.gz NKLUEUHSRHXYAA-UHFFFAOYSA-N 0 1 454.084 4.838 20 0 JJADMN COC(=O)Nc1cc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc(C(F)(F)F)c1 ZINC001461060644 1067772774 /nfs/dbraw/zinc/77/27/74/1067772774.db2.gz LCSYFQMTWATHIT-UHFFFAOYSA-N 0 1 456.490 4.749 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2cccc(CNCc3ccc(NC(=O)c4cccnc4)cc3)c21 ZINC001461141449 1067788220 /nfs/dbraw/zinc/78/82/20/1067788220.db2.gz BSDBNXRRDPPQLB-UHFFFAOYSA-N 0 1 458.562 4.921 20 0 JJADMN O=C(CNCc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)NCCc1ccccc1 ZINC001461159219 1067791099 /nfs/dbraw/zinc/79/10/99/1067791099.db2.gz AQLXQFZXDAVYHP-UHFFFAOYSA-N 0 1 458.993 4.700 20 0 JJADMN COc1cc(CNCc2ccc(Cl)cc2Oc2ccc(C)cc2C)ccc1OCC(N)=O ZINC001461170000 1067792135 /nfs/dbraw/zinc/79/21/35/1067792135.db2.gz XAUCEIZUDBXSTN-UHFFFAOYSA-N 0 1 454.954 4.912 20 0 JJADMN COc1cccc(Oc2ncccc2CNCc2cc(Br)c3c(c2)OCCO3)c1 ZINC001461234964 1067806616 /nfs/dbraw/zinc/80/66/16/1067806616.db2.gz OXXKFWHKHAVCSO-UHFFFAOYSA-N 0 1 457.324 4.706 20 0 JJADMN CCOc1ccc([C@@H](C)NC(=O)CCCNCc2c(F)ccc(Br)c2F)cc1 ZINC001461284922 1067818187 /nfs/dbraw/zinc/81/81/87/1067818187.db2.gz UZAJEAODUQEHTP-CQSZACIVSA-N 0 1 455.343 4.873 20 0 JJADMN C[C@@H]1CN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001461298613 1067822079 /nfs/dbraw/zinc/82/20/79/1067822079.db2.gz DFSKRPATPLNUNC-GUDVDZBRSA-N 0 1 453.583 4.985 20 0 JJADMN C[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001461302720 1067823238 /nfs/dbraw/zinc/82/32/38/1067823238.db2.gz YLDXAAKZXXNCCC-FGTMMUONSA-N 0 1 455.396 4.735 20 0 JJADMN COc1ccc(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)c(Br)c1O ZINC001461339526 1067832815 /nfs/dbraw/zinc/83/28/15/1067832815.db2.gz KXJLYCVQYDFTQW-FQEVSTJZSA-N 0 1 458.352 4.566 20 0 JJADMN COC(OC)c1ccc(F)c(CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001461381704 1067842774 /nfs/dbraw/zinc/84/27/74/1067842774.db2.gz XSOBFUJPUAPJQF-IRLDBZIGSA-N 0 1 452.929 4.750 20 0 JJADMN COc1cc(CNC[C@H]2CCCCS2(=O)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC001461380759 1067842972 /nfs/dbraw/zinc/84/29/72/1067842972.db2.gz ZSPQQYZPYYTCLE-GOSISDBHSA-N 0 1 458.407 4.638 20 0 JJADMN O=C(CCc1cc(Cl)cs1)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001461415603 1067850437 /nfs/dbraw/zinc/85/04/37/1067850437.db2.gz CFFYYNXZUJWQAU-IRXDYDNUSA-N 0 1 462.896 4.536 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461417703 1067851158 /nfs/dbraw/zinc/85/11/58/1067851158.db2.gz JEBXWGNNGCPGJV-VXKWHMMOSA-N 0 1 478.486 4.824 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461420289 1067852376 /nfs/dbraw/zinc/85/23/76/1067852376.db2.gz RLTCTLFMSMNQPL-LPHOPBHVSA-N 0 1 478.417 4.902 20 0 JJADMN Cc1ccc(CCCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001461422573 1067853125 /nfs/dbraw/zinc/85/31/25/1067853125.db2.gz YXJMFWDNWOOYGS-SFTDATJTSA-N 0 1 450.476 4.520 20 0 JJADMN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461454428 1067860778 /nfs/dbraw/zinc/86/07/78/1067860778.db2.gz FPVWHEFANPCLLE-JOCHJYFZSA-N 0 1 451.014 4.774 20 0 JJADMN CCc1ccccc1[C@@H](CNCc1cc2c(C)nn(C)c2nc1Cl)NC(=O)OC(C)(C)C ZINC001461545093 1067885711 /nfs/dbraw/zinc/88/57/11/1067885711.db2.gz CIJMNEOAXQVHKT-HXUWFJFHSA-N 0 1 458.006 4.848 20 0 JJADMN C[C@@H]1[C@H](NCc2cc(Cl)ccc2I)CCCN1C(=O)OC(C)(C)C ZINC001461589029 1067894886 /nfs/dbraw/zinc/89/48/86/1067894886.db2.gz MNJVCIYVYGTDHP-MLGOLLRUSA-N 0 1 464.775 4.822 20 0 JJADMN CCOc1cc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001461607335 1067900482 /nfs/dbraw/zinc/90/04/82/1067900482.db2.gz RBABYPKYCMTNCK-INIZCTEOSA-N 0 1 450.501 4.739 20 0 JJADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC001461671421 1067915157 /nfs/dbraw/zinc/91/51/57/1067915157.db2.gz QCMDJSSRJIZORI-ORAYPTAESA-N 0 1 451.792 4.783 20 0 JJADMN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CCOC)[C@H](C)C2)CCCC1 ZINC001546126383 1067921290 /nfs/dbraw/zinc/92/12/90/1067921290.db2.gz VVSSDOZNUQEKIW-NHCUHLMSSA-N 0 1 473.637 4.685 20 0 JJADMN CCOC(=O)c1cccc2nc(NCc3cn(-c4ccccc4Br)nc3C)[nH]c21 ZINC001461809612 1067940522 /nfs/dbraw/zinc/94/05/22/1067940522.db2.gz FXRUBYUOAXQMIH-UHFFFAOYSA-N 0 1 454.328 4.608 20 0 JJADMN CCOc1cc(CN[C@H](C)c2cc(F)ccc2N(C)C)ccc1OCC(=O)N1CCCCC1 ZINC001461831840 1067943281 /nfs/dbraw/zinc/94/32/81/1067943281.db2.gz KUIFTMIXGWREST-LJQANCHMSA-N 0 1 457.590 4.533 20 0 JJADMN CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001461837025 1067944633 /nfs/dbraw/zinc/94/46/33/1067944633.db2.gz UTFOHSKKAILXRT-UHFFFAOYSA-N 0 1 450.379 4.775 20 0 JJADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001461855762 1067948137 /nfs/dbraw/zinc/94/81/37/1067948137.db2.gz ZUUVXRPHIMDNBL-KRWDZBQOSA-N 0 1 455.546 4.832 20 0 JJADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001461855762 1067948142 /nfs/dbraw/zinc/94/81/42/1067948142.db2.gz ZUUVXRPHIMDNBL-KRWDZBQOSA-N 0 1 455.546 4.832 20 0 JJADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914217 1067960119 /nfs/dbraw/zinc/96/01/19/1067960119.db2.gz URPMNMNGAPTGDJ-CHWSQXEVSA-N 0 1 455.493 4.986 20 0 JJADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914908 1067960181 /nfs/dbraw/zinc/96/01/81/1067960181.db2.gz URPMNMNGAPTGDJ-QWHCGFSZSA-N 0 1 455.493 4.986 20 0 JJADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914910 1067960199 /nfs/dbraw/zinc/96/01/99/1067960199.db2.gz URPMNMNGAPTGDJ-STQMWFEESA-N 0 1 455.493 4.986 20 0 JJADMN CN(C)c1nc(C(F)(F)F)ccc1CN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001461924191 1067962397 /nfs/dbraw/zinc/96/23/97/1067962397.db2.gz ZDRZIZCYHCBHQR-GOSISDBHSA-N 0 1 456.553 4.778 20 0 JJADMN CC(C)Cn1[nH]c(CC(=O)N(C)CCCN2c3ccccc3Sc3ccccc32)cc1=O ZINC001461951535 1067967601 /nfs/dbraw/zinc/96/76/01/1067967601.db2.gz BPZIDECTBXCUTD-UHFFFAOYSA-N 0 1 450.608 4.526 20 0 JJADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)cc1 ZINC001461956501 1067968873 /nfs/dbraw/zinc/96/88/73/1067968873.db2.gz CYCDKPGFBOXTRQ-QGZVFWFLSA-N 0 1 459.616 4.832 20 0 JJADMN CN(C)C[C@H](NC(=O)c1cc(COc2ccccc2F)on1)c1ccc(Cl)c(Cl)c1 ZINC001462051780 1067991316 /nfs/dbraw/zinc/99/13/16/1067991316.db2.gz OAZFWECUUAWNAD-IBGZPJMESA-N 0 1 452.313 4.732 20 0 JJADMN CC[C@@H]1CN(Cc2c(Br)cncc2Br)CCN1Cc1ccccc1 ZINC001462059419 1067993433 /nfs/dbraw/zinc/99/34/33/1067993433.db2.gz WNLDMTOJHHYPHL-MRXNPFEDSA-N 0 1 453.222 4.703 20 0 JJADMN C[C@H](NC1CCN(Cc2ccccc2Br)CC1)c1nc(-c2cccc(F)c2)no1 ZINC001462119827 1068008463 /nfs/dbraw/zinc/00/84/63/1068008463.db2.gz MHHVRRCDYBKSOT-HNNXBMFYSA-N 0 1 459.363 4.953 20 0 JJADMN CCCN(Cc1cn(-c2ccccc2Br)nn1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001462139902 1068013767 /nfs/dbraw/zinc/01/37/67/1068013767.db2.gz WCISETOTYCBKSC-KRWDZBQOSA-N 0 1 456.388 4.659 20 0 JJADMN CC(=O)Nc1ccccc1CN1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001462194887 1068026677 /nfs/dbraw/zinc/02/66/77/1068026677.db2.gz ZIUFWZQWQGOEBD-UHFFFAOYSA-N 0 1 455.356 4.837 20 0 JJADMN Cc1cc2cc(C(=O)Nc3n[nH]c4cnc(Br)cc34)oc2c(Br)c1 ZINC001462200358 1068027936 /nfs/dbraw/zinc/02/79/36/1068027936.db2.gz PYDPOSANQMWHLH-UHFFFAOYSA-N 0 1 450.090 4.790 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC001462226656 1068032915 /nfs/dbraw/zinc/03/29/15/1068032915.db2.gz APXLUYGQICHJSC-UHFFFAOYSA-N 0 1 453.583 4.595 20 0 JJADMN Cn1cc(I)c(CNC(CCc2ccccc2)CCc2ccccc2)n1 ZINC001462229470 1068033888 /nfs/dbraw/zinc/03/38/88/1068033888.db2.gz GLYRVKPRMAZPBD-UHFFFAOYSA-N 0 1 459.375 4.749 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001462249625 1068037902 /nfs/dbraw/zinc/03/79/02/1068037902.db2.gz TVTYALGNMCZESC-MSOLQXFVSA-N 0 1 452.020 4.844 20 0 JJADMN COc1ccc([C@@H]2CC[N@H+](Cc3cnc(CC(C)C)s3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462412049 1068069118 /nfs/dbraw/zinc/06/91/18/1068069118.db2.gz GRALQHVEJAHBCY-WMZOPIPTSA-N 0 1 473.536 4.526 20 0 JJADMN COc1ccc([C@@H]2CC[N@@H+](Cc3cnc(CC(C)C)s3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462412049 1068069128 /nfs/dbraw/zinc/06/91/28/1068069128.db2.gz GRALQHVEJAHBCY-WMZOPIPTSA-N 0 1 473.536 4.526 20 0 JJADMN COc1ccc([C@@H]2CCN(Cc3cnc(CC(C)C)s3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001462412049 1068069133 /nfs/dbraw/zinc/06/91/33/1068069133.db2.gz GRALQHVEJAHBCY-WMZOPIPTSA-N 0 1 473.536 4.526 20 0 JJADMN COc1ccc([C@@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462413249 1068069176 /nfs/dbraw/zinc/06/91/76/1068069176.db2.gz KNGREZDSNPZXGG-RWPIJUSOSA-N 0 1 472.429 4.662 20 0 JJADMN COc1ccc([C@@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001462413249 1068069192 /nfs/dbraw/zinc/06/91/92/1068069192.db2.gz KNGREZDSNPZXGG-RWPIJUSOSA-N 0 1 472.429 4.662 20 0 JJADMN O=C([N-][C@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001462423019 1068071149 /nfs/dbraw/zinc/07/11/49/1068071149.db2.gz BUJHLDAOZMWODR-ROUUACIJSA-N 0 1 455.839 4.657 20 0 JJADMN COC(=O)c1ccc(COc2ccccc2CN2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001462437008 1068074093 /nfs/dbraw/zinc/07/40/93/1068074093.db2.gz ITDZTXNCUUSHNX-WMZHIEFXSA-N 0 1 453.579 4.852 20 0 JJADMN CC(C)C[C@H](CNCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)CC(=O)OC(C)(C)C ZINC001462448332 1068076135 /nfs/dbraw/zinc/07/61/35/1068076135.db2.gz YGQIFTHDNQSYJR-KRWDZBQOSA-N 0 1 453.624 4.918 20 0 JJADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCC[C@H](N2CCCCC2=O)C1 ZINC001462484034 1068082904 /nfs/dbraw/zinc/08/29/04/1068082904.db2.gz IBLJLEBFQZQEKY-NRFANRHFSA-N 0 1 459.432 4.735 20 0 JJADMN COc1cc(Br)c(CNC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1O ZINC001462505026 1068087078 /nfs/dbraw/zinc/08/70/78/1068087078.db2.gz SPOJFWFGFZIQQT-OAHLLOKOSA-N 0 1 457.409 4.679 20 0 JJADMN Clc1ccc(Cl)c(Oc2cc(Cl)ccc2CN2CCN(Cc3nnc[nH]3)CC2)c1 ZINC001462545689 1068095465 /nfs/dbraw/zinc/09/54/65/1068095465.db2.gz JERWWFKEHCLPNU-UHFFFAOYSA-N 0 1 452.773 4.875 20 0 JJADMN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CCOC)[C@H](C)C2)CCCC1 ZINC001546132560 1068101829 /nfs/dbraw/zinc/10/18/29/1068101829.db2.gz MZYNKAQTGHPQJY-LJQANCHMSA-N 0 1 476.065 4.734 20 0 JJADMN CCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CCOC)[C@@H](C)C2)CCCC1 ZINC001546132559 1068101906 /nfs/dbraw/zinc/10/19/06/1068101906.db2.gz MZYNKAQTGHPQJY-IBGZPJMESA-N 0 1 476.065 4.734 20 0 JJADMN O[C@H](CNCc1c(Br)cc(F)c(F)c1N1CCCCC1)Cc1ccccc1F ZINC001462588592 1068105778 /nfs/dbraw/zinc/10/57/78/1068105778.db2.gz UCAXKUUGULCRMB-HNNXBMFYSA-N 0 1 457.334 4.550 20 0 JJADMN Cc1ccc(-n2c(Cl)c(CNC[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)nc2N(C)C)cc1 ZINC001462601159 1068109484 /nfs/dbraw/zinc/10/94/84/1068109484.db2.gz ATULPBSJUJKEOZ-ZWKOTPCHSA-N 0 1 462.038 4.683 20 0 JJADMN CCOC(=O)c1cc(CN2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)[nH]c1C ZINC001462616916 1068113033 /nfs/dbraw/zinc/11/30/33/1068113033.db2.gz GHZLSPYREAZDFB-UHFFFAOYSA-N 0 1 455.599 4.558 20 0 JJADMN C[C@@H]1CN(Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462623906 1068115608 /nfs/dbraw/zinc/11/56/08/1068115608.db2.gz SDUZFUMZLKVIHL-QZTJIDSGSA-N 0 1 454.546 4.858 20 0 JJADMN CC(C)(C)OC(=O)N1CC(OC2CCN(Cc3ccc(Oc4ccc(F)cc4)nc3)CC2)C1 ZINC001462630259 1068117634 /nfs/dbraw/zinc/11/76/34/1068117634.db2.gz RQAXMWJQOOWMCI-UHFFFAOYSA-N 0 1 457.546 4.613 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NCc2cc(OC(F)F)ccc2Br)C1 ZINC001462654129 1068125256 /nfs/dbraw/zinc/12/52/56/1068125256.db2.gz LTOGOGAORRSLAG-XOBRGWDASA-N 0 1 461.347 4.930 20 0 JJADMN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC001462842098 1068186885 /nfs/dbraw/zinc/18/68/85/1068186885.db2.gz CKSYRGLJYISQOA-UHFFFAOYSA-N 0 1 458.249 4.546 20 0 JJADMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894897 1068206563 /nfs/dbraw/zinc/20/65/63/1068206563.db2.gz GOCZKGPULNKXIX-MJGOQNOKSA-N 0 1 451.430 4.604 20 0 JJADMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894895 1068206695 /nfs/dbraw/zinc/20/66/95/1068206695.db2.gz GOCZKGPULNKXIX-HKUYNNGSSA-N 0 1 451.430 4.604 20 0 JJADMN Cc1csc([C@@H](C)NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463002509 1068245747 /nfs/dbraw/zinc/24/57/47/1068245747.db2.gz GTTIYPPFTXRLTL-VOQZNFBZSA-N 0 1 476.067 4.754 20 0 JJADMN O=S(=O)(c1ccc2ccccc2c1Br)N(CCN1CCCC1)c1ccccc1 ZINC001463142643 1068301217 /nfs/dbraw/zinc/30/12/17/1068301217.db2.gz ZRDWMVNEDBQTBC-UHFFFAOYSA-N 0 1 459.409 4.893 20 0 JJADMN Cc1cccc([C@@H](C)CNS(=O)(=O)c2scc(Br)c2Br)c1 ZINC001463149248 1068303707 /nfs/dbraw/zinc/30/37/07/1068303707.db2.gz QXHRUDBCZHLWKL-JTQLQIEISA-N 0 1 453.221 4.664 20 0 JJADMN Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2c(C)cccc2F)cc1 ZINC001463172467 1068309404 /nfs/dbraw/zinc/30/94/04/1068309404.db2.gz XWLJTSUKEORQQS-AZGAKELHSA-N 0 1 452.595 4.530 20 0 JJADMN CSc1cccc([C@@H](NS(=O)(=O)c2cc3cn[nH]c3cc2C)c2cc(F)ccc2F)c1 ZINC001463221798 1068324552 /nfs/dbraw/zinc/32/45/52/1068324552.db2.gz PYGDXZVKHZNWHM-JOCHJYFZSA-N 0 1 459.543 4.939 20 0 JJADMN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NS(=O)(=O)c1ccccc1O ZINC001463294695 1068348214 /nfs/dbraw/zinc/34/82/14/1068348214.db2.gz PIUQTQGJMQJIKZ-LBPRGKRZSA-N 0 1 453.383 4.626 20 0 JJADMN CCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCN(CCCOCC(F)(F)F)CC2)CCCC1 ZINC001546138606 1068377248 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454.401 4.603 20 0 JJADMN CC1CCC(C)(CNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001463637958 1068477598 /nfs/dbraw/zinc/47/75/98/1068477598.db2.gz AWGHPQXLQYAGQU-WGUWSQJSSA-N 0 1 458.643 4.930 20 0 JJADMN COc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463697798 1068497919 /nfs/dbraw/zinc/49/79/19/1068497919.db2.gz CHTAVZVLDGNEDN-UHFFFAOYSA-N 0 1 458.914 4.913 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](C)c3cccc(C)c3)ccc2OC)cc1 ZINC001463700793 1068499241 /nfs/dbraw/zinc/49/92/41/1068499241.db2.gz VGWCGAVEXAHMQU-QGZVFWFLSA-N 0 1 454.548 4.555 20 0 JJADMN C[S@@](=O)(=NS(=O)(=O)NCC1(c2cccc(Cl)c2)CCCCC1)c1ccccc1F ZINC001463733290 1068507306 /nfs/dbraw/zinc/50/73/06/1068507306.db2.gz GUGANPNWZZQTPK-NDEPHWFRSA-N 0 1 459.008 4.672 20 0 JJADMN C[S@](=O)(=NS(=O)(=O)NCC1(c2cccc(Cl)c2)CCCCC1)c1ccccc1F ZINC001463733288 1068507539 /nfs/dbraw/zinc/50/75/39/1068507539.db2.gz GUGANPNWZZQTPK-MUUNZHRXSA-N 0 1 459.008 4.672 20 0 JJADMN 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Cc1sc2nc(-c3cccs3)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164898661 721434655 /nfs/dbraw/zinc/43/46/55/721434655.db2.gz WINMSNYVUOKIIF-FQRUVTKNSA-N 0 1 497.734 4.802 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889829 721453623 /nfs/dbraw/zinc/45/36/23/721453623.db2.gz PNVHNNDNDDFDCD-CVDCTZTESA-N 0 1 497.055 4.774 20 0 JJADMN CNC(=O)N[C@H]1CC2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900391 721492118 /nfs/dbraw/zinc/49/21/18/721492118.db2.gz OVDPGPPLLREMCM-NDEPHWFRSA-N 0 1 495.671 4.860 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164809567 721546608 /nfs/dbraw/zinc/54/66/08/721546608.db2.gz VLHDCFCTQTWYRL-CYXNTTPDSA-N 0 1 451.574 4.560 20 0 JJADMN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908513 721585497 /nfs/dbraw/zinc/58/54/97/721585497.db2.gz ZRUMRBPHJUZODJ-NRFANRHFSA-N 0 1 479.909 4.961 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164804134 721585763 /nfs/dbraw/zinc/58/57/63/721585763.db2.gz IXPVHWBNIXLIRU-VIZSFHNOSA-N 0 1 482.053 4.610 20 0 JJADMN CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164904087 721702604 /nfs/dbraw/zinc/70/26/04/721702604.db2.gz CVPKOZCKXFSWOR-VWLOTQADSA-N 0 1 466.532 4.544 20 0 JJADMN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164910622 721727337 /nfs/dbraw/zinc/72/73/37/721727337.db2.gz GZWOLFFFQHSMIA-NRFANRHFSA-N 0 1 479.909 4.961 20 0 JJADMN FC1(F)CCN(c2cc(SCc3ccccc3)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912691 721731592 /nfs/dbraw/zinc/73/15/92/721731592.db2.gz PLRIYWPNGVAWKB-XMMPIXPASA-N 0 1 467.589 4.902 20 0 JJADMN CC(C)(C)OC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164913066 721734353 /nfs/dbraw/zinc/73/43/53/721734353.db2.gz RWHKDKJLZABWSD-HSZRJFAPSA-N 0 1 478.971 4.823 20 0 JJADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001165010512 721742524 /nfs/dbraw/zinc/74/25/24/721742524.db2.gz NRARICRCVGEXAA-UHFFFAOYSA-N 0 1 470.042 4.535 20 0 JJADMN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165016016 721767930 /nfs/dbraw/zinc/76/79/30/721767930.db2.gz VIMNVROBZZYFAC-UHFFFAOYSA-N 0 1 468.851 4.841 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001165022775 721841591 /nfs/dbraw/zinc/84/15/91/721841591.db2.gz UIXWDNLIYUWUPG-UHFFFAOYSA-N 0 1 489.595 4.737 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001165021185 721843066 /nfs/dbraw/zinc/84/30/66/721843066.db2.gz GPYBHCFTLFGBDV-UHFFFAOYSA-N 0 1 465.598 4.547 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC001165021979 721843353 /nfs/dbraw/zinc/84/33/53/721843353.db2.gz KSPAUDYUBNETSG-UHFFFAOYSA-N 0 1 469.589 4.810 20 0 JJADMN c1ccc(CN2CCc3nc(N4CC[C@]5(C4)COCc4cnc(-c6ccccc6)nc45)ccc3C2)cc1 ZINC001164928940 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HQFXISUUOSVPDQ-BVRKHOPBSA-N 0 1 498.671 4.936 20 0 JJADMN Clc1ccc(-c2nc3c(c(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)n2)CCC3)s1 ZINC001164961618 722060745 /nfs/dbraw/zinc/06/07/45/722060745.db2.gz MVRLQJVWUOTGRY-UHFFFAOYSA-N 0 1 496.080 4.861 20 0 JJADMN c1sc2nc(-c3cccnc3)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1-c1ccccc1 ZINC001164967157 722075492 /nfs/dbraw/zinc/07/54/92/722075492.db2.gz LPWJCCKXVBUTPM-SZPZYZBQSA-N 0 1 469.614 4.720 20 0 JJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164993784 722204069 /nfs/dbraw/zinc/20/40/69/722204069.db2.gz BHQATISWSJQSAM-QHCPKHFHSA-N 0 1 457.912 4.840 20 0 JJADMN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995976 722205008 /nfs/dbraw/zinc/20/50/08/722205008.db2.gz QZFQXTIHYDYBJH-LKXQCNMVSA-N 0 1 494.611 4.636 20 0 JJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)C3)c1 ZINC001164996613 722210088 /nfs/dbraw/zinc/21/00/88/722210088.db2.gz UKQMJXQMNLRMJL-HHHXNRCGSA-N 0 1 460.553 4.689 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@H](c1ccsc1)N(C)C ZINC001545857051 1064265334 /nfs/dbraw/zinc/26/53/34/1064265334.db2.gz NMMBXPYTUDEIIB-OAQYLSRUSA-N 0 1 498.697 4.743 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001545858952 1064266964 /nfs/dbraw/zinc/26/69/64/1064266964.db2.gz AGGMZEKPZZTYSX-OAQYLSRUSA-N 0 1 492.712 4.826 20 0 JJADMN CC(C)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCCN2CCOCC2)C1 ZINC001359730097 1064280968 /nfs/dbraw/zinc/28/09/68/1064280968.db2.gz NMJDARKRJSFZQS-HXUWFJFHSA-N 0 1 490.490 4.692 20 0 JJADMN CC(C)[C@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)N(C)C ZINC001359737794 1064299656 /nfs/dbraw/zinc/29/96/56/1064299656.db2.gz GPGPJENFYQZNQO-RTWAWAEBSA-N 0 1 457.619 4.985 20 0 JJADMN CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC001545884319 1064300554 /nfs/dbraw/zinc/30/05/54/1064300554.db2.gz QIZALKMUIRTYQV-UHFFFAOYSA-N 0 1 455.387 4.999 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c(C)onc2-c2ccccc2C)CC1 ZINC001434919017 1064346561 /nfs/dbraw/zinc/34/65/61/1064346561.db2.gz HUAIFXSGACBUAE-GOSISDBHSA-N 0 1 450.558 4.730 20 0 JJADMN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001359755099 1064347180 /nfs/dbraw/zinc/34/71/80/1064347180.db2.gz SICABQZHFAQYLD-FCHUYYIVSA-N 0 1 490.073 4.736 20 0 JJADMN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001359755101 1064347232 /nfs/dbraw/zinc/34/72/32/1064347232.db2.gz SICABQZHFAQYLD-VXKWHMMOSA-N 0 1 490.073 4.736 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC001434920529 1064347882 /nfs/dbraw/zinc/34/78/82/1064347882.db2.gz MJPTVXQYHQJKJQ-HNNXBMFYSA-N 0 1 455.908 4.627 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001434920470 1064347955 /nfs/dbraw/zinc/34/79/55/1064347955.db2.gz LQUMSQATVKNVMC-ZDUSSCGKSA-N 0 1 459.434 4.756 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(-n3cccc3)ccc2Cl)CC1 ZINC001434920665 1064348217 /nfs/dbraw/zinc/34/82/17/1064348217.db2.gz NUCXHOFADVCBKK-SFHVURJKSA-N 0 1 454.977 4.903 20 0 JJADMN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001434921698 1064349591 /nfs/dbraw/zinc/34/95/91/1064349591.db2.gz KRGLZJLTSVMMIV-JOCHJYFZSA-N 0 1 455.624 4.515 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC001434923707 1064352185 /nfs/dbraw/zinc/35/21/85/1064352185.db2.gz ZJJVRBFDFONFPT-CYBMUJFWSA-N 0 1 459.434 4.756 20 0 JJADMN C[C@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434980504 1064397357 /nfs/dbraw/zinc/39/73/57/1064397357.db2.gz SYZLRIGYYQBMGP-INIZCTEOSA-N 0 1 451.508 4.751 20 0 JJADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434980391 1064397418 /nfs/dbraw/zinc/39/74/18/1064397418.db2.gz RBQTXYVCSLQBEH-LSDHHAIUSA-N 0 1 454.373 4.529 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)c1 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VZMATBUURKXSRP-JWFZFVAPSA-N 0 1 497.690 4.761 20 0 JJADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)CCCc2ccc(Br)s2)c1 ZINC001436580195 1065379641 /nfs/dbraw/zinc/37/96/41/1065379641.db2.gz PXJMCMAEEHPORN-UHFFFAOYSA-N 0 1 452.418 4.752 20 0 JJADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1 ZINC001436581180 1065380485 /nfs/dbraw/zinc/38/04/85/1065380485.db2.gz XXKKUJLGWKUDKR-UHFFFAOYSA-N 0 1 458.534 4.705 20 0 JJADMN CC(C)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360501377 1065425878 /nfs/dbraw/zinc/42/58/78/1065425878.db2.gz SNWJUGHUKSGFMF-IBGZPJMESA-N 0 1 458.075 4.993 20 0 JJADMN CC(C)(C)N1CCc2nc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)sc2C1 ZINC001436936107 1065476579 /nfs/dbraw/zinc/47/65/79/1065476579.db2.gz AUPPVWJMYNTZLB-UHFFFAOYSA-N 0 1 451.474 4.621 20 0 JJADMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001437313289 1065535560 /nfs/dbraw/zinc/53/55/60/1065535560.db2.gz HVMNDPIUGIWALR-UGNRZPKXSA-N 0 1 457.412 4.825 20 0 JJADMN C[C@H](Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1C(C)(C)C)N1CCN(c2ccccc2)CC1 ZINC001360586323 1065586534 /nfs/dbraw/zinc/58/65/34/1065586534.db2.gz DCJSYYKEHTXMMO-UXHICEINSA-N 0 1 478.607 4.565 20 0 JJADMN C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC(C)(C)C1)CN1CCOCC1 ZINC001360602977 1065628037 /nfs/dbraw/zinc/62/80/37/1065628037.db2.gz FIYGYCFZTIMWTH-SJORKVTESA-N 0 1 496.519 4.610 20 0 JJADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC001437901572 1065628364 /nfs/dbraw/zinc/62/83/64/1065628364.db2.gz KUHCPPLJCXVOFI-FQEVSTJZSA-N 0 1 457.405 4.729 20 0 JJADMN CN1C(=O)C[C@H](C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001437926339 1065631002 /nfs/dbraw/zinc/63/10/02/1065631002.db2.gz AHSPRLMOBBXURB-HUTHGQBESA-N 0 1 455.704 4.820 20 0 JJADMN CN1C(=O)C[C@H](C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001437926424 1065631055 /nfs/dbraw/zinc/63/10/55/1065631055.db2.gz AHSPRLMOBBXURB-XYZCENFISA-N 0 1 455.704 4.820 20 0 JJADMN 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/nfs/dbraw/zinc/87/74/85/1065877485.db2.gz ZDWFELULGBUXME-VXKWHMMOSA-N 0 1 487.664 4.788 20 0 JJADMN COC(=O)c1cc2[nH]c(NC(=O)[C@H](C)Cc3cccc(Cl)c3)nc2c(Br)c1 ZINC001440025983 1065904186 /nfs/dbraw/zinc/90/41/86/1065904186.db2.gz CXAMFUDPPUTIBR-SNVBAGLBSA-N 0 1 450.720 4.583 20 0 JJADMN CC1(C)C[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001360801558 1065912282 /nfs/dbraw/zinc/91/22/82/1065912282.db2.gz HJYHMSKKWHBTKD-KRWDZBQOSA-N 0 1 485.982 4.736 20 0 JJADMN CN1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)c3cnccc32)CC1 ZINC001440151663 1065917560 /nfs/dbraw/zinc/91/75/60/1065917560.db2.gz ZQMZAJVQTYOWGK-UHFFFAOYSA-N 0 1 459.775 4.655 20 0 JJADMN CC1(C)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCSCC2)CC1 ZINC001360817303 1065930627 /nfs/dbraw/zinc/93/06/27/1065930627.db2.gz LAASEIDFGNLLBU-UHFFFAOYSA-N 0 1 484.497 4.839 20 0 JJADMN COc1ccc([C@H](CNC(=O)c2cc3c([nH]2)c(Br)ccc3C)N2CCCC2)cc1 ZINC001440376384 1065934315 /nfs/dbraw/zinc/93/43/15/1065934315.db2.gz RCFIEXOUGDHPHJ-NRFANRHFSA-N 0 1 456.384 4.814 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)N2CCCC2)cc1 ZINC001440379450 1065934634 /nfs/dbraw/zinc/93/46/34/1065934634.db2.gz WLWKORFTQAFNOB-HSZRJFAPSA-N 0 1 453.970 4.715 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1nccc2c(Br)cccc21)N1CCCC1 ZINC001440382064 1065934987 /nfs/dbraw/zinc/93/49/87/1065934987.db2.gz CGGNXSXFUSQYNN-FQEVSTJZSA-N 0 1 454.368 4.573 20 0 JJADMN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384708 1065936240 /nfs/dbraw/zinc/93/62/40/1065936240.db2.gz KQZJHIIOAGEADX-QGZVFWFLSA-N 0 1 450.004 4.508 20 0 JJADMN Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384708 1065936244 /nfs/dbraw/zinc/93/62/44/1065936244.db2.gz KQZJHIIOAGEADX-QGZVFWFLSA-N 0 1 450.004 4.508 20 0 JJADMN COc1ccc(NC(=O)c2csc(Cl)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440598913 1065953685 /nfs/dbraw/zinc/95/36/85/1065953685.db2.gz WHVWOWBKJFLGKG-UHFFFAOYSA-N 0 1 458.348 4.512 20 0 JJADMN CO[C@@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Br)s1 ZINC001440677236 1065964030 /nfs/dbraw/zinc/96/40/30/1065964030.db2.gz DBSXPVHZHICDHL-GOSISDBHSA-N 0 1 457.821 4.632 20 0 JJADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678251 1065964052 /nfs/dbraw/zinc/96/40/52/1065964052.db2.gz VSSRJMDYKILKAL-FGZHOGPDSA-N 0 1 451.394 4.587 20 0 JJADMN Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001440723854 1065971700 /nfs/dbraw/zinc/97/17/00/1065971700.db2.gz CWKISGRIBQGJPX-UHFFFAOYSA-N 0 1 454.368 4.761 20 0 JJADMN CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001440742555 1065974372 /nfs/dbraw/zinc/97/43/72/1065974372.db2.gz RTSIGMQZAWQSQV-CEWLAPEOSA-N 0 1 450.023 4.629 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC3(CSC)CC3)ccc2Cl)cc1 ZINC001440756949 1065976870 /nfs/dbraw/zinc/97/68/70/1065976870.db2.gz QLODCIUUAKFBDB-UHFFFAOYSA-N 0 1 455.001 4.621 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360868649 1065993298 /nfs/dbraw/zinc/99/32/98/1065993298.db2.gz JJBOPQBXCBRTGB-XJUOHMSHSA-N 0 1 469.674 4.771 20 0 JJADMN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@H](c3ccsc3)N(C)C)[C@@H]2c2cccs2)cc1 ZINC001441003441 1065999409 /nfs/dbraw/zinc/99/94/09/1065999409.db2.gz FZOHVTLACKMYAY-MIZPHKNDSA-N 0 1 453.633 4.631 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@H](C)C3)n2CCN2CCSCC2)c1C ZINC001360874128 1066011742 /nfs/dbraw/zinc/01/17/42/1066011742.db2.gz MTTIOKJNZBMHGX-CZTZKLFOSA-N 0 1 457.688 4.566 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C)[C@@H](C)C3)n2CCN2CCSCC2)c1C ZINC001360874130 1066011901 /nfs/dbraw/zinc/01/19/01/1066011901.db2.gz MTTIOKJNZBMHGX-RCZSKKKRSA-N 0 1 457.688 4.566 20 0 JJADMN CC[C@H](CNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)N1CCc2ccccc2C1 ZINC001441244689 1066019674 /nfs/dbraw/zinc/01/96/74/1066019674.db2.gz RPACTQPALAVEIG-HXUWFJFHSA-N 0 1 452.002 4.611 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C4CCC4)CC3)n2CCCOC(C)C)c1C ZINC001360876878 1066021890 /nfs/dbraw/zinc/02/18/90/1066021890.db2.gz CHTIHRAXELAYLJ-QFIPXVFZSA-N 0 1 455.647 4.525 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2C[C@H](c2ccsc2)N(C)C)c1C ZINC001360877908 1066024350 /nfs/dbraw/zinc/02/43/50/1066024350.db2.gz PSHSHKCRAIKGOS-RBBKRZOGSA-N 0 1 469.655 4.626 20 0 JJADMN COc1ccccc1Nc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001441326906 1066028858 /nfs/dbraw/zinc/02/88/58/1066028858.db2.gz SWEWMZUHVGYDFB-OYRHEFFESA-N 0 1 459.590 4.978 20 0 JJADMN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441328865 1066029035 /nfs/dbraw/zinc/02/90/35/1066029035.db2.gz SIDBXFZTZXMHNZ-FQEVSTJZSA-N 0 1 459.377 4.929 20 0 JJADMN COc1ccccc1Nc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC001441326901 1066029095 /nfs/dbraw/zinc/02/90/95/1066029095.db2.gz SWEWMZUHVGYDFB-NHCUHLMSSA-N 0 1 459.590 4.978 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360879500 1066030710 /nfs/dbraw/zinc/03/07/10/1066030710.db2.gz LSGHPGVNLXJXHJ-XJUOHMSHSA-N 0 1 499.700 4.538 20 0 JJADMN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC001441420203 1066039686 /nfs/dbraw/zinc/03/96/86/1066039686.db2.gz KTGHBFJGMGNLTQ-UHFFFAOYSA-N 0 1 457.578 4.639 20 0 JJADMN O=C(Nc1cccc(OC(F)F)c1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC001441498166 1066046862 /nfs/dbraw/zinc/04/68/62/1066046862.db2.gz QQGCXZYKZHFDNN-UHFFFAOYSA-N 0 1 452.866 4.995 20 0 JJADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2Cl)cc1 ZINC001441593344 1066052365 /nfs/dbraw/zinc/05/23/65/1066052365.db2.gz RWIRLLCXGGIKKF-UHFFFAOYSA-N 0 1 451.958 4.797 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)n[nH]2)c1C ZINC001441678463 1066060243 /nfs/dbraw/zinc/06/02/43/1066060243.db2.gz BXZZSTKYCCDMAV-KRWDZBQOSA-N 0 1 459.598 4.956 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)n[nH]2)c1C ZINC001441678470 1066060286 /nfs/dbraw/zinc/06/02/86/1066060286.db2.gz BXZZSTKYCCDMAV-QGZVFWFLSA-N 0 1 459.598 4.956 20 0 JJADMN Cc1nc(NC(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)sc1-c1ccccc1 ZINC001441740742 1066066088 /nfs/dbraw/zinc/06/60/88/1066066088.db2.gz VYUZVYXSMJLUND-MRXNPFEDSA-N 0 1 453.568 4.818 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3nc(C)c(Cc4cccc(F)c4)s3)[nH]n2)c(OC)c1 ZINC001441792752 1066069751 /nfs/dbraw/zinc/06/97/51/1066069751.db2.gz ZQSFBCSUIUTALK-UHFFFAOYSA-N 0 1 452.511 4.841 20 0 JJADMN O=C(NC1CCN(Cc2ccncc2)CC1)C1(c2ccccc2Br)CCCCC1 ZINC001441816769 1066072861 /nfs/dbraw/zinc/07/28/61/1066072861.db2.gz NBKBXMBTUKXXCI-UHFFFAOYSA-N 0 1 456.428 4.827 20 0 JJADMN Cc1ccsc1CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 ZINC001360920004 1066075609 /nfs/dbraw/zinc/07/56/09/1066075609.db2.gz JMKFBMCADZHUDA-UHFFFAOYSA-N 0 1 474.472 4.851 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)Cc1cccc(OCC(F)(F)F)c1)N1CCCCC1 ZINC001441890748 1066079065 /nfs/dbraw/zinc/07/90/65/1066079065.db2.gz WDHVUNJFHJXHRE-NRFANRHFSA-N 0 1 450.501 4.522 20 0 JJADMN O=C(Nc1ncc(Br)s1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001441988310 1066084279 /nfs/dbraw/zinc/08/42/79/1066084279.db2.gz SXPFFHHPYUCABS-UHFFFAOYSA-N 0 1 458.746 4.831 20 0 JJADMN CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1nc[nH]c(=O)c1Br ZINC001442124789 1066096842 /nfs/dbraw/zinc/09/68/42/1066096842.db2.gz RVFWPZATHFPWIH-UHFFFAOYSA-N 0 1 450.333 4.863 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442266302 1066110659 /nfs/dbraw/zinc/11/06/59/1066110659.db2.gz VGEWGFUFWVHLPF-OAQYLSRUSA-N 0 1 453.574 4.537 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442266300 1066110770 /nfs/dbraw/zinc/11/07/70/1066110770.db2.gz VGEWGFUFWVHLPF-NRFANRHFSA-N 0 1 453.574 4.537 20 0 JJADMN Cc1c(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001442333376 1066117018 /nfs/dbraw/zinc/11/70/18/1066117018.db2.gz TYMILXKQDOPZTR-UHFFFAOYSA-N 0 1 456.512 4.766 20 0 JJADMN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC001442548479 1066135827 /nfs/dbraw/zinc/13/58/27/1066135827.db2.gz ADDQALIBRWGLLH-JOCHJYFZSA-N 0 1 455.624 4.748 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC001442548422 1066135841 /nfs/dbraw/zinc/13/58/41/1066135841.db2.gz QZRGZYXAAWUTST-FQEVSTJZSA-N 0 1 459.565 4.690 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC001442620003 1066145817 /nfs/dbraw/zinc/14/58/17/1066145817.db2.gz QALFYSXQJDGNKN-VCOUNFBDSA-N 0 1 458.624 4.934 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC001442619992 1066145923 /nfs/dbraw/zinc/14/59/23/1066145923.db2.gz QALFYSXQJDGNKN-KAGYGMCKSA-N 0 1 458.624 4.934 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC2CC(F)C2)n1CCN1CCSCC1 ZINC001360986314 1066150899 /nfs/dbraw/zinc/15/08/99/1066150899.db2.gz AMDFWOHTALPAEG-JSOIOWGOSA-N 0 1 496.096 4.921 20 0 JJADMN COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC001442717317 1066154687 /nfs/dbraw/zinc/15/46/87/1066154687.db2.gz KUTVBFFJADLREZ-UHFFFAOYSA-N 0 1 450.539 4.778 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@H]2C)c1 ZINC001442746443 1066156452 /nfs/dbraw/zinc/15/64/52/1066156452.db2.gz JSZRHNYWQWWMDI-NVXWUHKLSA-N 0 1 450.988 4.706 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001360992799 1066172555 /nfs/dbraw/zinc/17/25/55/1066172555.db2.gz UWMYRZDGSMMLDH-UZINWLIJSA-N 0 1 490.092 4.770 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC[C@H]1CCOC1 ZINC001360992950 1066172659 /nfs/dbraw/zinc/17/26/59/1066172659.db2.gz WVCUBJCPXOMZFC-RTWAWAEBSA-N 0 1 476.065 4.645 20 0 JJADMN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)c1cccc(C(F)(F)F)c1O ZINC001442785449 1066221796 /nfs/dbraw/zinc/22/17/96/1066221796.db2.gz UEHOKFGGBAVNRY-UHFFFAOYSA-N 0 1 458.274 4.652 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC/C=C\c3ccc(Br)cc3)n2)cc1 ZINC001454042791 1066239588 /nfs/dbraw/zinc/23/95/88/1066239588.db2.gz CQOFJPQYRLSGBA-RQOWECAXSA-N 0 1 457.397 4.854 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3CCN(CCc4cccs4)CC3)n2CCC(C)(F)F)c1 ZINC001361035528 1066254550 /nfs/dbraw/zinc/25/45/50/1066254550.db2.gz FJGVKRVPBNARMT-UHFFFAOYSA-N 0 1 489.636 4.945 20 0 JJADMN O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001454261009 1066259125 /nfs/dbraw/zinc/25/91/25/1066259125.db2.gz ORPRDRQECBPLSC-LJQANCHMSA-N 0 1 459.384 4.973 20 0 JJADMN CCOc1cc(/C=C\C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)ccc1O ZINC001443084522 1066263238 /nfs/dbraw/zinc/26/32/38/1066263238.db2.gz AZMOLKPEEACEQX-DHDCSXOGSA-N 0 1 451.567 4.647 20 0 JJADMN CC(C)c1c(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001454282760 1066264459 /nfs/dbraw/zinc/26/44/59/1066264459.db2.gz WZNAQEQQMHNYOV-UHFFFAOYSA-N 0 1 456.428 4.553 20 0 JJADMN CCOCCCn1c2ccccc2nc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001443124900 1066271038 /nfs/dbraw/zinc/27/10/38/1066271038.db2.gz LFWRWHWECJVHSJ-FQEVSTJZSA-N 0 1 456.537 4.559 20 0 JJADMN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001546060603 1066275971 /nfs/dbraw/zinc/27/59/71/1066275971.db2.gz DKNIYOWFFORCRX-HNNXBMFYSA-N 0 1 451.832 4.922 20 0 JJADMN Cc1cc(NC(=O)CN(C)CCc2ccccc2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001443200607 1066279259 /nfs/dbraw/zinc/27/92/59/1066279259.db2.gz DXYYKEGQPKOQQP-UHFFFAOYSA-N 0 1 450.892 4.966 20 0 JJADMN COc1cc(Cl)c(Br)cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001454407792 1066279940 /nfs/dbraw/zinc/27/99/40/1066279940.db2.gz RQTMLKIBLDVNBU-LIRRHRJNSA-N 0 1 451.792 4.752 20 0 JJADMN COc1ccc(Cn2nccc2NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1 ZINC001443241935 1066283665 /nfs/dbraw/zinc/28/36/65/1066283665.db2.gz PKAUKLPDUCZSBR-UHFFFAOYSA-N 0 1 455.440 4.910 20 0 JJADMN Cc1cc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@](C)(O)CCC(C)C)c2ccccc2n1 ZINC001361050318 1066285053 /nfs/dbraw/zinc/28/50/53/1066285053.db2.gz XNXPREHFVFHLBP-HHHXNRCGSA-N 0 1 464.658 4.519 20 0 JJADMN Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361056071 1066295119 /nfs/dbraw/zinc/29/51/19/1066295119.db2.gz BEDVADRUWSKIKA-PMACEKPBSA-N 0 1 483.060 4.826 20 0 JJADMN Cc1cc(Cl)ccc1C1=CCN(C(=O)c2cccc(I)c2O)CC1 ZINC001454550167 1066299714 /nfs/dbraw/zinc/29/97/14/1066299714.db2.gz VZUNMVVASVRBLL-UHFFFAOYSA-N 0 1 453.707 4.888 20 0 JJADMN Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccsc2)N(C)C)no1 ZINC001361063521 1066302659 /nfs/dbraw/zinc/30/26/59/1066302659.db2.gz LNYPYDIJBUGKHT-OAQYLSRUSA-N 0 1 471.030 4.820 20 0 JJADMN CN(C)C[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573468 1066303132 /nfs/dbraw/zinc/30/31/32/1066303132.db2.gz DSGFDXOSUPKPCR-JCGIZDLHSA-N 0 1 458.430 4.652 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)sc2C1 ZINC001443492734 1066318481 /nfs/dbraw/zinc/31/84/81/1066318481.db2.gz OOAPPRUVRQRJAC-UHFFFAOYSA-N 0 1 459.959 4.732 20 0 JJADMN CCc1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)[nH]nc1-c1ccc(Br)cc1 ZINC001443499132 1066319684 /nfs/dbraw/zinc/31/96/84/1066319684.db2.gz NARIWEHREGZKKX-INIZCTEOSA-N 0 1 457.303 4.605 20 0 JJADMN CCc1nc2ccccc2n1CC(=O)Nc1[nH]nc(-c2ccc(Br)cc2)c1CC ZINC001443503350 1066320316 /nfs/dbraw/zinc/32/03/16/1066320316.db2.gz YXHCXCTVVUNODZ-UHFFFAOYSA-N 0 1 452.356 4.952 20 0 JJADMN CC1(C)CN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CCN1Cc1ccccc1 ZINC001443550286 1066328632 /nfs/dbraw/zinc/32/86/32/1066328632.db2.gz LMTIXIUSOSLUFX-UHFFFAOYSA-N 0 1 456.512 4.687 20 0 JJADMN CCCN(CC)C(=O)c1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC001443579238 1066331193 /nfs/dbraw/zinc/33/11/93/1066331193.db2.gz LNDGQLHEBAMVMZ-UHFFFAOYSA-N 0 1 456.030 4.854 20 0 JJADMN CC(C)CN1Cc2cccc(NC(=O)[C@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c2C1 ZINC001546065158 1066331971 /nfs/dbraw/zinc/33/19/71/1066331971.db2.gz GKGHAEFJTWXCOX-QFIPXVFZSA-N 0 1 455.521 4.786 20 0 JJADMN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)co1 ZINC001443583529 1066332692 /nfs/dbraw/zinc/33/26/92/1066332692.db2.gz WPWAWHXHPKUDRL-CMDGGOBGSA-N 0 1 458.986 4.930 20 0 JJADMN CSCc1c2ccccc2oc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443633813 1066341583 /nfs/dbraw/zinc/34/15/83/1066341583.db2.gz NUGDIHGRASWYOS-UHFFFAOYSA-N 0 1 458.027 4.891 20 0 JJADMN O=C(Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1)c1ccc(Br)cc1O ZINC001454939756 1066344162 /nfs/dbraw/zinc/34/41/62/1066344162.db2.gz GCUCMFPBDJXXJJ-UHFFFAOYSA-N 0 1 451.320 4.902 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(Br)c3)[nH]n2)cc1 ZINC001455000118 1066350630 /nfs/dbraw/zinc/35/06/30/1066350630.db2.gz PHKKPOBRYFEQIC-UHFFFAOYSA-N 0 1 451.118 4.863 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cc(F)ccc2F)ccc1Cl ZINC001443724669 1066357248 /nfs/dbraw/zinc/35/72/48/1066357248.db2.gz HEMRSNMRCNGBOO-UHFFFAOYSA-N 0 1 450.894 4.657 20 0 JJADMN Cc1ccc2nc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cc(C)nc(Cl)c3)[nH]c2c1 ZINC001361109045 1066358054 /nfs/dbraw/zinc/35/80/54/1066358054.db2.gz MYSWHFIFSSVOMJ-QGZVFWFLSA-N 0 1 457.962 4.500 20 0 JJADMN Cc1ccc2nc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cc(C)nc(Cl)c3)[nH]c2c1 ZINC001361109044 1066358084 /nfs/dbraw/zinc/35/80/84/1066358084.db2.gz MYSWHFIFSSVOMJ-KRWDZBQOSA-N 0 1 457.962 4.500 20 0 JJADMN COc1ccc(OC)c2sc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)nc21 ZINC001455080643 1066358464 /nfs/dbraw/zinc/35/84/64/1066358464.db2.gz HJPQSRZILWOLOL-UHFFFAOYSA-N 0 1 459.325 4.718 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CN(CC(C)C)CCO2)C1 ZINC001546068603 1066359894 /nfs/dbraw/zinc/35/98/94/1066359894.db2.gz SILLYVGBILBSJQ-YADARESESA-N 0 1 490.490 4.691 20 0 JJADMN O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1cc(Cl)c2ccccc2c1O ZINC001455198584 1066369598 /nfs/dbraw/zinc/36/95/98/1066369598.db2.gz XJINROIZRNOFAN-GOSISDBHSA-N 0 1 459.727 4.645 20 0 JJADMN COc1ccc(Cc2nc3ccc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)cc3[nH]2)cc1 ZINC001455211733 1066370920 /nfs/dbraw/zinc/37/09/20/1066370920.db2.gz PELBMNLOENKXBZ-UHFFFAOYSA-N 0 1 452.555 4.748 20 0 JJADMN 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CCC(C)(C)c1ccc(OCCCC(=O)N2CCN(C)CCN(C)CC2)c(C(C)(C)CC)c1 ZINC001456269125 1066550696 /nfs/dbraw/zinc/55/06/96/1066550696.db2.gz MFJHYTDRNLGQKO-UHFFFAOYSA-N 0 1 459.719 4.927 20 0 JJADMN CC(C)C1CCC(N2CCN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)CC2)CC1 ZINC001445268438 1066550928 /nfs/dbraw/zinc/55/09/28/1066550928.db2.gz FWZPZLKKSQHTGF-KXTRFFEISA-N 0 1 457.659 4.687 20 0 JJADMN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1 ZINC001445277115 1066552000 /nfs/dbraw/zinc/55/20/00/1066552000.db2.gz XCEBIEXAMIZRNR-HQNXYIODSA-N 0 1 457.659 4.920 20 0 JJADMN COc1cc(C(=O)NCCN(C)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC001445337101 1066558835 /nfs/dbraw/zinc/55/88/35/1066558835.db2.gz KEYJLXGTZSJXRP-UHFFFAOYSA-N 0 1 456.945 4.929 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCCC2CCOCC2)cc1Br ZINC001361220874 1066558897 /nfs/dbraw/zinc/55/88/97/1066558897.db2.gz HMQURJPANPGVDC-UHFFFAOYSA-N 0 1 490.490 4.753 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)cc1Br ZINC001361221244 1066560114 /nfs/dbraw/zinc/56/01/14/1066560114.db2.gz RYUXGXGSPWELHQ-UAPYVXQJSA-N 0 1 464.427 4.685 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361225745 1066564449 /nfs/dbraw/zinc/56/44/49/1066564449.db2.gz LCSBBOQUZIOIJW-RBUKOAKNSA-N 0 1 469.552 4.687 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC2CCC(C(F)(F)F)CC2)o1 ZINC001361226486 1066564836 /nfs/dbraw/zinc/56/48/36/1066564836.db2.gz ZKORGAHXCRHIOF-UHFFFAOYSA-N 0 1 483.579 4.762 20 0 JJADMN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nc(CNC(=O)OC(C)(C)C)[nH]c4c3)cc2)nn1 ZINC001456378652 1066573829 /nfs/dbraw/zinc/57/38/29/1066573829.db2.gz XQRHJXDQIQFWOT-UHFFFAOYSA-N 0 1 458.522 4.605 20 0 JJADMN CC(C)(C)OC(=O)NCc1nc2ccc(NC(=O)C[C@@H]3OCc4cc(Cl)ccc43)cc2[nH]1 ZINC001456379102 1066573874 /nfs/dbraw/zinc/57/38/74/1066573874.db2.gz ZOADKDFKPSTTKC-IBGZPJMESA-N 0 1 456.930 4.841 20 0 JJADMN CC(C)(C)OC(=O)NCc1nc2ccc(NC(=O)C[C@H]3OCc4cc(Cl)ccc43)cc2[nH]1 ZINC001456379107 1066573926 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OCXQNLXVRBUVOM-JOCHJYFZSA-N 0 1 474.074 4.962 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C/C=C/c1ccc(Br)cc1 ZINC001361251141 1066598254 /nfs/dbraw/zinc/59/82/54/1066598254.db2.gz YBXGOUIGINPYQP-SNAWJCMRSA-N 0 1 458.400 4.642 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)c(Br)c1 ZINC001361252276 1066599815 /nfs/dbraw/zinc/59/98/15/1066599815.db2.gz FNXYDKHDWAZAPJ-UHFFFAOYSA-N 0 1 452.780 4.505 20 0 JJADMN CCSCc1ccc(C(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC001456502128 1066603008 /nfs/dbraw/zinc/60/30/08/1066603008.db2.gz DYODUAYGRYHNBO-UHFFFAOYSA-N 0 1 451.558 4.640 20 0 JJADMN CC[C@@H](Sc1ccccc1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC001456503703 1066603850 /nfs/dbraw/zinc/60/38/50/1066603850.db2.gz KDIYSYIEBASCIJ-OAQYLSRUSA-N 0 1 451.558 4.644 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC2(C)C)c1 ZINC001445713021 1066609303 /nfs/dbraw/zinc/60/93/03/1066609303.db2.gz PFVRLRDBSGFBGQ-HXUWFJFHSA-N 0 1 450.988 4.848 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361261341 1066612888 /nfs/dbraw/zinc/61/28/88/1066612888.db2.gz PQBMDRYYZXMRCS-DHIUTWEWSA-N 0 1 495.668 4.900 20 0 JJADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(I)c1O ZINC001446141039 1066664689 /nfs/dbraw/zinc/66/46/89/1066664689.db2.gz IXGZRISVCOLKTO-AWEZNQCLSA-N 0 1 450.320 4.936 20 0 JJADMN CCN1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C[C@H]1C ZINC001446198065 1066674987 /nfs/dbraw/zinc/67/49/87/1066674987.db2.gz UAXQEXRXWYPEQK-GOSISDBHSA-N 0 1 450.608 4.657 20 0 JJADMN CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492616020 1066683201 /nfs/dbraw/zinc/68/32/01/1066683201.db2.gz HVLLEELBOLUSTG-HDICACEKSA-N 0 1 464.441 4.908 20 0 JJADMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(Cl)cc(Br)c2F)cc1 ZINC001446349265 1066694903 /nfs/dbraw/zinc/69/49/03/1066694903.db2.gz IRNBDAJPJAHQDL-SFHVURJKSA-N 0 1 455.755 4.817 20 0 JJADMN CCC[C@@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CCN1CCOC ZINC001446349518 1066695081 /nfs/dbraw/zinc/69/50/81/1066695081.db2.gz MXLRZFBQVSMPQP-JOCHJYFZSA-N 0 1 451.586 4.866 20 0 JJADMN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CCN2CCN(c3ccccc3)CC2)s1 ZINC001492630971 1066706705 /nfs/dbraw/zinc/70/67/05/1066706705.db2.gz CSYWGYPADYBZAP-NRFANRHFSA-N 0 1 495.741 4.694 20 0 JJADMN O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(CCCN2CCOCC2)CC1 ZINC001446718013 1066733978 /nfs/dbraw/zinc/73/39/78/1066733978.db2.gz WOHZRYYUQSBFBX-RUZDIDTESA-N 0 1 457.014 4.811 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CC(C2CCC2)C2CCC2)c1 ZINC001446718388 1066734100 /nfs/dbraw/zinc/73/41/00/1066734100.db2.gz YTHGHPRWSLQIFK-UHFFFAOYSA-N 0 1 458.580 4.747 20 0 JJADMN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC001492642981 1066737862 /nfs/dbraw/zinc/73/78/62/1066737862.db2.gz WSHMTYIMRWKHCL-VAMGGRTRSA-N 0 1 474.719 4.612 20 0 JJADMN CCCCc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(Br)cc4[nH]3)CC2=O)cc1 ZINC001457020241 1066744903 /nfs/dbraw/zinc/74/49/03/1066744903.db2.gz RLXNVODBYRADFO-OAHLLOKOSA-N 0 1 455.356 4.660 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492645666 1066746951 /nfs/dbraw/zinc/74/69/51/1066746951.db2.gz DZEDUGJOFCYADX-QZTJIDSGSA-N 0 1 489.089 4.888 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492645870 1066747908 /nfs/dbraw/zinc/74/79/08/1066747908.db2.gz LUMBHMYXKKGPHP-WOJBJXKFSA-N 0 1 453.656 4.839 20 0 JJADMN COc1ccc(CN(C(=O)c2n[nH]c(C)c2Br)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001446882085 1066752787 /nfs/dbraw/zinc/75/27/87/1066752787.db2.gz RMEIHJUOILDNMY-BBRMVZONSA-N 0 1 450.377 4.719 20 0 JJADMN C[C@H]1[C@H](C)N(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907286 1066755190 /nfs/dbraw/zinc/75/51/90/1066755190.db2.gz XGFZHLLIQZMKMI-SFTDATJTSA-N 0 1 451.611 4.789 20 0 JJADMN C[C@@H]1[C@@H](C)N(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907279 1066755460 /nfs/dbraw/zinc/75/54/60/1066755460.db2.gz XGFZHLLIQZMKMI-NHCUHLMSSA-N 0 1 451.611 4.789 20 0 JJADMN C[C@@H]1[C@H](C)N(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CCN1C(=O)OC(C)(C)C ZINC001446907269 1066755478 /nfs/dbraw/zinc/75/54/78/1066755478.db2.gz XGFZHLLIQZMKMI-LEWJYISDSA-N 0 1 451.611 4.789 20 0 JJADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3[O-])cc2)CC1 ZINC001446979052 1066760789 /nfs/dbraw/zinc/76/07/89/1066760789.db2.gz GXUOZCAAPWHACB-UHFFFAOYSA-N 0 1 454.571 4.522 20 0 JJADMN CCCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC001446981692 1066761379 /nfs/dbraw/zinc/76/13/79/1066761379.db2.gz MNIPUHJLQQDRJZ-JOCHJYFZSA-N 0 1 451.615 4.744 20 0 JJADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccccc1Nc1ccc(F)cc1F ZINC001446985287 1066761855 /nfs/dbraw/zinc/76/18/55/1066761855.db2.gz ULCXMGLFUBZAFF-UHFFFAOYSA-N 0 1 452.486 4.736 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001446991595 1066763557 /nfs/dbraw/zinc/76/35/57/1066763557.db2.gz XGRJROBCJAEYMR-UXHICEINSA-N 0 1 459.635 4.738 20 0 JJADMN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001545991706 1066766474 /nfs/dbraw/zinc/76/64/74/1066766474.db2.gz XJXASUSSLJPGFM-MZNJEOGPSA-N 0 1 452.002 4.806 20 0 JJADMN CCC1(CC)[C@H](NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)[C@@H](C)[C@@H]1OC ZINC001447023831 1066767292 /nfs/dbraw/zinc/76/72/92/1066767292.db2.gz MDHKOHARARRVRW-PJSAGSTRSA-N 0 1 450.988 4.929 20 0 JJADMN CC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)CCc2ccc(I)cc2)c1 ZINC001447029175 1066768088 /nfs/dbraw/zinc/76/80/88/1066768088.db2.gz ZLPNSRZFJRTSAE-ZDUSSCGKSA-N 0 1 451.304 4.797 20 0 JJADMN CN1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447103031 1066773340 /nfs/dbraw/zinc/77/33/40/1066773340.db2.gz LJQZJJUCOGLUBJ-IIMDRIAPSA-N 0 1 468.013 4.672 20 0 JJADMN Cc1ccc2nc(CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)[nH]c2c1 ZINC001457149147 1066773695 /nfs/dbraw/zinc/77/36/95/1066773695.db2.gz ZLPDZUCYCJSBHK-MOPGFXCFSA-N 0 1 468.985 4.792 20 0 JJADMN Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107073 1066774208 /nfs/dbraw/zinc/77/42/08/1066774208.db2.gz SAUVCBJFHGNTGU-FDDCHVKYSA-N 0 1 453.945 4.978 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H](c2ccco2)N(C)C)cs1 ZINC001492662879 1066782825 /nfs/dbraw/zinc/78/28/25/1066782825.db2.gz ZDLWSPXOYJJWGP-QAPCUYQASA-N 0 1 456.641 4.789 20 0 JJADMN O=C(Nc1cc(F)ccc1O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001447288933 1066787953 /nfs/dbraw/zinc/78/79/53/1066787953.db2.gz RCRFVFAQNSVFBR-UHFFFAOYSA-N 0 1 455.294 4.891 20 0 JJADMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1ccc(Sc2ccccc2Cl)nn1 ZINC001457221178 1066793585 /nfs/dbraw/zinc/79/35/85/1066793585.db2.gz KVYILRPCQGIUDQ-UHFFFAOYSA-N 0 1 450.833 4.824 20 0 JJADMN O=C(Nc1sccc1C(=O)Oc1ccc2c(c1)CCCC(=O)N2)c1ccc(Cl)cc1O ZINC001447338950 1066796363 /nfs/dbraw/zinc/79/63/63/1066796363.db2.gz MRGYHVXPDFUXKQ-UHFFFAOYSA-N 0 1 456.907 4.853 20 0 JJADMN CC[C@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001447498066 1066815406 /nfs/dbraw/zinc/81/54/06/1066815406.db2.gz LLLIIGJBOPSBPF-WNMGUVTHSA-N 0 1 453.671 4.755 20 0 JJADMN Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@@H](c2ccsc2)N(C)C)cs1 ZINC001492677176 1066816079 /nfs/dbraw/zinc/81/60/79/1066816079.db2.gz YDTROWLYXKTVEC-RXVVDRJESA-N 0 1 458.701 4.871 20 0 JJADMN CC[C@H]1CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001447501689 1066816104 /nfs/dbraw/zinc/81/61/04/1066816104.db2.gz SIVRHMLCMUPOFE-XTEPFMGCSA-N 0 1 458.602 4.812 20 0 JJADMN CC(C)([C@@H](NC(=O)c1cccc(NC(=O)NC2CC2)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001447550562 1066820086 /nfs/dbraw/zinc/82/00/86/1066820086.db2.gz BOHVHXOVKCQJPM-QFIPXVFZSA-N 0 1 456.537 4.594 20 0 JJADMN Cc1n[nH]c(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@@H](C(F)F)C2)n1 ZINC001492687524 1066833161 /nfs/dbraw/zinc/83/31/61/1066833161.db2.gz ZKYCDIOSIVCSEU-NVXWUHKLSA-N 0 1 493.990 4.839 20 0 JJADMN Cc1nnc(CCn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCC[C@@H](C(F)F)C2)[nH]1 ZINC001492687524 1066833170 /nfs/dbraw/zinc/83/31/70/1066833170.db2.gz ZKYCDIOSIVCSEU-NVXWUHKLSA-N 0 1 493.990 4.839 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H](C)c2ccccc2)n1 ZINC001492687799 1066833833 /nfs/dbraw/zinc/83/38/33/1066833833.db2.gz QSAOEBOCRLVYQW-CQSZACIVSA-N 0 1 486.443 4.678 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H](C)c2ccccc2)[nH]1 ZINC001492687799 1066833837 /nfs/dbraw/zinc/83/38/37/1066833837.db2.gz QSAOEBOCRLVYQW-CQSZACIVSA-N 0 1 486.443 4.678 20 0 JJADMN Cc1n[nH]c(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)n1 ZINC001492692160 1066837520 /nfs/dbraw/zinc/83/75/20/1066837520.db2.gz UXSZIACVGVQVTP-QHCPKHFHSA-N 0 1 490.077 4.534 20 0 JJADMN Cc1nnc(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[nH]1 ZINC001492692160 1066837527 /nfs/dbraw/zinc/83/75/27/1066837527.db2.gz UXSZIACVGVQVTP-QHCPKHFHSA-N 0 1 490.077 4.534 20 0 JJADMN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccsc2)N(C)C)s1 ZINC001492698709 1066852402 /nfs/dbraw/zinc/85/24/02/1066852402.db2.gz IYUTYLPRPCZKDJ-QHAWAJNXSA-N 0 1 488.727 4.962 20 0 JJADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC001457550458 1066858713 /nfs/dbraw/zinc/85/87/13/1066858713.db2.gz BWBFQOFDSZFLGY-UHFFFAOYSA-N 0 1 459.819 4.930 20 0 JJADMN CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC001457650748 1066890472 /nfs/dbraw/zinc/89/04/72/1066890472.db2.gz NQQLJENIOWJDJJ-CRAIPNDOSA-N 0 1 450.988 4.848 20 0 JJADMN COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)c2[nH]cnc2C)cc1OC ZINC001448021828 1066890851 /nfs/dbraw/zinc/89/08/51/1066890851.db2.gz AOJAREFEUPBNOO-UHFFFAOYSA-N 0 1 451.914 4.553 20 0 JJADMN CN(C)[C@@H](CNC(=O)Cc1csc(NC2(C)CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC001448062392 1066895083 /nfs/dbraw/zinc/89/50/83/1066895083.db2.gz HWDSYEWEGQVUQS-SFHVURJKSA-N 0 1 454.562 4.868 20 0 JJADMN CN(C)[C@@H](CNC(=O)CCOc1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001448061726 1066895120 /nfs/dbraw/zinc/89/51/20/1066895120.db2.gz GYQYXUOPRWDVMK-KRWDZBQOSA-N 0 1 459.306 4.656 20 0 JJADMN CN(C)[C@H](CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448068831 1066895813 /nfs/dbraw/zinc/89/58/13/1066895813.db2.gz SCRIAFLTPXEMKK-MRXNPFEDSA-N 0 1 454.399 4.726 20 0 JJADMN Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448069479 1066896505 /nfs/dbraw/zinc/89/65/05/1066896505.db2.gz SWIDBCIQALAWNO-IBGZPJMESA-N 0 1 450.892 4.886 20 0 JJADMN O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC001457691753 1066898122 /nfs/dbraw/zinc/89/81/22/1066898122.db2.gz YPCMPRZFSOROOS-UHFFFAOYSA-N 0 1 459.350 4.762 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@](C)(CC)C3)ccc2Cl)cc1 ZINC001457704680 1066900376 /nfs/dbraw/zinc/90/03/76/1066900376.db2.gz ANNSQFLTLXJEAX-QFIPXVFZSA-N 0 1 450.988 4.802 20 0 JJADMN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001448116447 1066901600 /nfs/dbraw/zinc/90/16/00/1066901600.db2.gz LVSBIJUMJDFBIG-UHFFFAOYSA-N 0 1 459.886 4.636 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@@H](c2ccco2)N(C)C)n1 ZINC001492732228 1066904584 /nfs/dbraw/zinc/90/45/84/1066904584.db2.gz LQVZMUVMNYUVTL-GGAORHGYSA-N 0 1 461.614 4.541 20 0 JJADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1ccccc1I ZINC001457734629 1066906622 /nfs/dbraw/zinc/90/66/22/1066906622.db2.gz MUOUEPLHNWLZHX-UHFFFAOYSA-N 0 1 452.473 4.665 20 0 JJADMN COc1ccc(Br)cc1-c1ncc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)s1 ZINC001457741751 1066908671 /nfs/dbraw/zinc/90/86/71/1066908671.db2.gz IGAMAZVDCPNGKU-UHFFFAOYSA-N 0 1 456.325 4.619 20 0 JJADMN CC(C)[C@@H](NC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1)[C@@H](O)c1ccccc1 ZINC001457780012 1066918430 /nfs/dbraw/zinc/91/84/30/1066918430.db2.gz NWAHJOKZJFQTKN-SXOMAYOGSA-N 0 1 455.558 4.510 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(C)cc(Br)c1 ZINC001457791115 1066921881 /nfs/dbraw/zinc/92/18/81/1066921881.db2.gz SWONEPWRZPOMAK-FQEVSTJZSA-N 0 1 456.384 4.610 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)ccc1C ZINC001457848308 1066931801 /nfs/dbraw/zinc/93/18/01/1066931801.db2.gz IDEMVXQQDXJAGN-OFVILXPXSA-N 0 1 478.614 4.974 20 0 JJADMN CN(C)c1nc2ccc(NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)cc2[nH]1 ZINC001448493431 1066933173 /nfs/dbraw/zinc/93/31/73/1066933173.db2.gz IOKSBTRWODCQOA-UHFFFAOYSA-N 0 1 452.312 4.831 20 0 JJADMN Cc1[nH]c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)nc1Cc1ccccc1 ZINC001457893989 1066937642 /nfs/dbraw/zinc/93/76/42/1066937642.db2.gz MWLXZCYGQUXIMK-FFZOFVMBSA-N 0 1 471.667 4.910 20 0 JJADMN Cc1[nH]c(SCC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)nc1Cc1ccccc1 ZINC001457936777 1066943909 /nfs/dbraw/zinc/94/39/09/1066943909.db2.gz NPCOPFDDRMTEJX-SFHVURJKSA-N 0 1 450.391 4.558 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2c(CNC(=O)c3c(O)cc(Cl)cc3Cl)cccc2C1 ZINC001457970327 1066949618 /nfs/dbraw/zinc/94/96/18/1066949618.db2.gz JCSIBEXAQFDIHW-UHFFFAOYSA-N 0 1 451.350 4.922 20 0 JJADMN C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccccc1 ZINC001458005127 1066955801 /nfs/dbraw/zinc/95/58/01/1066955801.db2.gz QDDIFQAICKIOKF-KOVSNXQUSA-N 0 1 457.659 4.972 20 0 JJADMN Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)s1 ZINC001448795037 1066958181 /nfs/dbraw/zinc/95/81/81/1066958181.db2.gz KZYIXSSISRETPR-UHFFFAOYSA-N 0 1 459.300 4.509 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1 ZINC001448840167 1066962143 /nfs/dbraw/zinc/96/21/43/1066962143.db2.gz HPZPNFCWQDLZSM-OAQYLSRUSA-N 0 1 450.560 4.896 20 0 JJADMN CCOC(=O)[C@@H]1CCCN(CC(=O)N(CC)[C@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702466 1066965224 /nfs/dbraw/zinc/96/52/24/1066965224.db2.gz DADDWUBJKSBORR-HYBUGGRVSA-N 0 1 452.595 4.547 20 0 JJADMN CCC(CC)(NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nn[nH]n1 ZINC001449019859 1066977484 /nfs/dbraw/zinc/97/74/84/1066977484.db2.gz VUFFFQGEHUDISZ-UHFFFAOYSA-N 0 1 450.974 4.620 20 0 JJADMN 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ZINC001546045316 1067259609 /nfs/dbraw/zinc/25/96/09/1067259609.db2.gz NLIVNPNYNRUUNT-QSEAXJEQSA-N 0 1 469.674 4.913 20 0 JJADMN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)C)CC2)O1 ZINC001546045314 1067259665 /nfs/dbraw/zinc/25/96/65/1067259665.db2.gz NLIVNPNYNRUUNT-AZSVPQILSA-N 0 1 469.674 4.913 20 0 JJADMN CCOC(=O)C1C(CS[C@@H]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459161769 1067264171 /nfs/dbraw/zinc/26/41/71/1067264171.db2.gz BISLDKJRDRWQJA-DENIHFKCSA-N 0 1 456.995 4.802 20 0 JJADMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)C2 ZINC001452921740 1067264656 /nfs/dbraw/zinc/26/46/56/1067264656.db2.gz NDMQOWOZOPBKCI-ZSEKCTLFSA-N 0 1 450.992 4.559 20 0 JJADMN COc1cccc(N2CCN(CCSCc3nc(-c4ccc(C(C)C)cc4)no3)CC2)c1 ZINC001459252480 1067277688 /nfs/dbraw/zinc/27/76/88/1067277688.db2.gz QXAVDEJSMYNGRL-UHFFFAOYSA-N 0 1 452.624 4.924 20 0 JJADMN C/C(=C\C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1Cl ZINC001453120797 1067280838 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WUQRBAAYELZKJK-UHFFFAOYSA-N 0 1 452.304 4.735 20 0 JJADMN COc1cccc(S(=O)(=O)CCN(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC001459388299 1067310776 /nfs/dbraw/zinc/31/07/76/1067310776.db2.gz AWLMZMQYLQIKED-DNVFCKCGSA-N 0 1 459.608 4.525 20 0 JJADMN CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001459423640 1067321728 /nfs/dbraw/zinc/32/17/28/1067321728.db2.gz FEGFNXGIVAXGHB-UHFFFAOYSA-N 0 1 452.551 4.611 20 0 JJADMN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3ccccc3)C[C@@H]2C)O1 ZINC001546054640 1067327727 /nfs/dbraw/zinc/32/77/27/1067327727.db2.gz PYOAWVFTXQHTHJ-JEYPMZLKSA-N 0 1 453.675 4.925 20 0 JJADMN CCC(CC)n1nccc1C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1C(C)C ZINC001453843322 1067332464 /nfs/dbraw/zinc/33/24/64/1067332464.db2.gz SAQSXNOLTWFERJ-UHFFFAOYSA-N 0 1 455.403 4.586 20 0 JJADMN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CCc1ccc(Br)cc1 ZINC001459471849 1067333949 /nfs/dbraw/zinc/33/39/49/1067333949.db2.gz XZMDUZFDLWYKOF-VIFPVBQESA-N 0 1 451.233 4.646 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(F)cc1F ZINC001453915782 1067335287 /nfs/dbraw/zinc/33/52/87/1067335287.db2.gz RFWSSTYPLIOUPQ-MRXNPFEDSA-N 0 1 454.836 4.838 20 0 JJADMN CCN(CC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1)C(=O)OC(C)(C)C ZINC001459558499 1067351010 /nfs/dbraw/zinc/35/10/10/1067351010.db2.gz IUZPEGIKTQBAFX-UHFFFAOYSA-N 0 1 451.409 4.794 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561074 1067351767 /nfs/dbraw/zinc/35/17/67/1067351767.db2.gz CEYSZFLXEUSPCS-JTHBVZDNSA-N 0 1 456.428 4.507 20 0 JJADMN O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC001459561551 1067351805 /nfs/dbraw/zinc/35/18/05/1067351805.db2.gz SDUWUSZYCJKCDM-MRXNPFEDSA-N 0 1 451.369 4.984 20 0 JJADMN CC[C@@H]1CN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC[C@@H]1c1ccccc1 ZINC001459624074 1067366761 /nfs/dbraw/zinc/36/67/61/1067366761.db2.gz CKWBHBDGVZOWRB-HLIPFELVSA-N 0 1 459.512 4.895 20 0 JJADMN CC[C@H]1CN(Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC001459627881 1067368083 /nfs/dbraw/zinc/36/80/83/1067368083.db2.gz PPVUYANZXZJFEY-UGKGYDQZSA-N 0 1 454.640 4.609 20 0 JJADMN Cc1cc(NC(=O)[C@H](C)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1Br ZINC001459636808 1067369594 /nfs/dbraw/zinc/36/95/94/1067369594.db2.gz QDPMLWXWNPQGTI-HNNXBMFYSA-N 0 1 456.425 4.567 20 0 JJADMN O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccc(CN2CCCCC2)o1 ZINC001459684613 1067382667 /nfs/dbraw/zinc/38/26/67/1067382667.db2.gz WUIGXRNDXYEZEM-UHFFFAOYSA-N 0 1 452.473 4.600 20 0 JJADMN Cc1cc(C)c(CCNC(=O)CN2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC001459684496 1067382812 /nfs/dbraw/zinc/38/28/12/1067382812.db2.gz IMGMEOMMHCYFRB-BJKOFHAPSA-N 0 1 457.659 4.525 20 0 JJADMN CCOC(=O)C1=C(CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@H]1c1ccco1 ZINC001459685622 1067383270 /nfs/dbraw/zinc/38/32/70/1067383270.db2.gz PHQXOJMHJVRFEE-RPWUZVMVSA-N 0 1 453.583 4.636 20 0 JJADMN O=C(Nc1cccc(Br)c1)C1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC001459712461 1067392049 /nfs/dbraw/zinc/39/20/49/1067392049.db2.gz DOPAUKWBNKKEEN-LJQANCHMSA-N 0 1 455.755 4.626 20 0 JJADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716183 1067393752 /nfs/dbraw/zinc/39/37/52/1067393752.db2.gz UNRZQXLMZBHWBJ-MAUKXSAKSA-N 0 1 458.484 4.553 20 0 JJADMN O=C(CNC1(c2ccc(Cl)cc2)CCOCC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459733557 1067399067 /nfs/dbraw/zinc/39/90/67/1067399067.db2.gz GXJMNXDYQAQGQU-UHFFFAOYSA-N 0 1 459.974 4.760 20 0 JJADMN CN(CCC1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC001459772626 1067416156 /nfs/dbraw/zinc/41/61/56/1067416156.db2.gz DTTUOJPICLANMW-FQEVSTJZSA-N 0 1 453.986 4.553 20 0 JJADMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792852 1067425544 /nfs/dbraw/zinc/42/55/44/1067425544.db2.gz WDKWFECZMOBFBV-WDZJFXIESA-N 0 1 454.634 4.671 20 0 JJADMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccc(SC(F)(F)F)c3)C2)cc1 ZINC001459795096 1067427022 /nfs/dbraw/zinc/42/70/22/1067427022.db2.gz JFUSJMRMWYEQEW-SFHVURJKSA-N 0 1 458.571 4.797 20 0 JJADMN COc1ccc(N=c2scc(CN3CCC[C@@](C)(CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459798571 1067428714 /nfs/dbraw/zinc/42/87/14/1067428714.db2.gz SUWPDFJRUBXRGN-RXFWQSSRSA-N 0 1 451.636 4.994 20 0 JJADMN COC(=O)c1c(NC(=O)CN[C@@H](CC(C)C)c2ccccc2OC)sc2c1CC[C@@H](C)C2 ZINC001459819904 1067438248 /nfs/dbraw/zinc/43/82/48/1067438248.db2.gz XEWXWLXPVSTKQC-APWZRJJASA-N 0 1 458.624 4.984 20 0 JJADMN Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@H](COc2ccccc2F)c2ccccc2)n[nH]1 ZINC001459843624 1067450076 /nfs/dbraw/zinc/45/00/76/1067450076.db2.gz MDTNQWCNNUWJPG-HSZRJFAPSA-N 0 1 459.525 4.576 20 0 JJADMN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 ZINC001459843958 1067450500 /nfs/dbraw/zinc/45/05/00/1067450500.db2.gz YVADTEZDBSFYFJ-IERDGZPVSA-N 0 1 458.400 4.871 20 0 JJADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC001459845107 1067451212 /nfs/dbraw/zinc/45/12/12/1067451212.db2.gz QPXYPBNPOLLEGH-HSZRJFAPSA-N 0 1 459.030 4.890 20 0 JJADMN O=C(CCN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC001459848833 1067454137 /nfs/dbraw/zinc/45/41/37/1067454137.db2.gz TYQBPSKNSIKERA-LJQANCHMSA-N 0 1 453.892 4.641 20 0 JJADMN CC[C@H](NCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1OC(F)F ZINC001459849223 1067454705 /nfs/dbraw/zinc/45/47/05/1067454705.db2.gz AZWWOYPBIQXKTE-INIZCTEOSA-N 0 1 459.415 4.945 20 0 JJADMN CC[C@@H](C)[C@H](NCC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850851 1067455717 /nfs/dbraw/zinc/45/57/17/1067455717.db2.gz OLJDDRKVUWPTGM-CLOONOSVSA-N 0 1 456.030 4.764 20 0 JJADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2NC1=O ZINC001459851775 1067456698 /nfs/dbraw/zinc/45/66/98/1067456698.db2.gz NKHIETCKFWUDAN-LHSJRXKWSA-N 0 1 450.564 4.517 20 0 JJADMN CC[C@@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1OC(F)F ZINC001459854240 1067458808 /nfs/dbraw/zinc/45/88/08/1067458808.db2.gz RSQXFZWIMMAPGL-OAHLLOKOSA-N 0 1 452.523 4.694 20 0 JJADMN Cc1cc(CN2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864753 1067463603 /nfs/dbraw/zinc/46/36/03/1067463603.db2.gz USPGISHZTMQUMX-HOTGVXAUSA-N 0 1 458.384 4.643 20 0 JJADMN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459866197 1067464173 /nfs/dbraw/zinc/46/41/73/1067464173.db2.gz FMCPUKQVRJAUOL-GJZGRUSLSA-N 0 1 454.527 4.584 20 0 JJADMN COc1ccc(C(NC(=O)CN(C)CCc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC001459874099 1067468847 /nfs/dbraw/zinc/46/88/47/1067468847.db2.gz LZKVVEMXRLSUKS-UHFFFAOYSA-N 0 1 452.982 4.737 20 0 JJADMN CCOc1cccc2cc([C@H](C)NCC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901293 1067480333 /nfs/dbraw/zinc/48/03/33/1067480333.db2.gz NHAQWTHGVVWHRH-FXAWDEMLSA-N 0 1 452.551 4.863 20 0 JJADMN COc1ccc2oc([C@@H](C)NCC(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904835 1067481863 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CCOc1ccc(NC(=O)c2ccc(NC(=O)CN[C@@H](c3ccccn3)C3CCC3)cc2)cc1 ZINC001460487840 1067644147 /nfs/dbraw/zinc/64/41/47/1067644147.db2.gz YXBQKIOERSSWFS-AREMUKBSSA-N 0 1 458.562 4.802 20 0 JJADMN CCOC(=O)Nc1ccc2c(CN3CCC(OCc4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC001460505710 1067646106 /nfs/dbraw/zinc/64/61/06/1067646106.db2.gz CNXFGFYBILGKPG-UHFFFAOYSA-N 0 1 454.498 4.682 20 0 JJADMN CCN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460538456 1067653325 /nfs/dbraw/zinc/65/33/25/1067653325.db2.gz NIXSDIVLIZXMDG-CRAIPNDOSA-N 0 1 452.348 4.615 20 0 JJADMN COc1ccc([C@@H]2CCN([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570466 1067658245 /nfs/dbraw/zinc/65/82/45/1067658245.db2.gz OUBUQMNZOGOGHV-NQIIRXRSSA-N 0 1 450.476 4.834 20 0 JJADMN O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1)C(F)(F)F ZINC001460587073 1067663262 /nfs/dbraw/zinc/66/32/62/1067663262.db2.gz IIRDVXYWURBDIU-ZDUSSCGKSA-N 0 1 458.839 4.802 20 0 JJADMN CC1(C)[C@H](c2cccc(F)c2)CCN1CC(=O)Nc1cccc(I)c1 ZINC001460602771 1067668164 /nfs/dbraw/zinc/66/81/64/1067668164.db2.gz JKTLQGHPDAXTQJ-SFHVURJKSA-N 0 1 452.311 4.637 20 0 JJADMN CC[C@@H](NCC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)c1cccc(OC)c1OC ZINC001460666142 1067693624 /nfs/dbraw/zinc/69/36/24/1067693624.db2.gz VOBQBTCONHIYIA-HXUWFJFHSA-N 0 1 451.592 4.766 20 0 JJADMN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C[C@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713940 1067707176 /nfs/dbraw/zinc/70/71/76/1067707176.db2.gz USFFNROARTWBHV-QAPCUYQASA-N 0 1 453.004 4.922 20 0 JJADMN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460716443 1067708358 /nfs/dbraw/zinc/70/83/58/1067708358.db2.gz GALSHBILOOJWPM-SFHVURJKSA-N 0 1 456.455 4.790 20 0 JJADMN CN(CCCN1C(=O)CNC1=O)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl ZINC001460719859 1067708952 /nfs/dbraw/zinc/70/89/52/1067708952.db2.gz RCFGTPAREYNMDF-UHFFFAOYSA-N 0 1 456.757 4.813 20 0 JJADMN C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)n1cc(Br)cn1 ZINC001460721225 1067708989 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RBABYPKYCMTNCK-MRXNPFEDSA-N 0 1 450.501 4.739 20 0 JJADMN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cc(OC)cnc2F)cc1 ZINC001461624498 1067904061 /nfs/dbraw/zinc/90/40/61/1067904061.db2.gz HNXMSEPXQIVFEF-VXKWHMMOSA-N 0 1 459.562 4.511 20 0 JJADMN CCON(CC)C(=O)CNCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 ZINC001461641997 1067908139 /nfs/dbraw/zinc/90/81/39/1067908139.db2.gz ODXHDWTYVZIPFK-UHFFFAOYSA-N 0 1 458.562 4.591 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CNCc2ccc(-c3ccccc3)s2)C1 ZINC001461656291 1067911283 /nfs/dbraw/zinc/91/12/83/1067911283.db2.gz LIJWZSMRYFGKND-LJQANCHMSA-N 0 1 453.612 4.868 20 0 JJADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC001461671420 1067915185 /nfs/dbraw/zinc/91/51/85/1067915185.db2.gz QCMDJSSRJIZORI-BFUOFWGJSA-N 0 1 451.792 4.783 20 0 JJADMN O[C@H]1COC[C@H]1NCc1ccc(Oc2ccc(Br)cc2Br)cc1Cl ZINC001461678346 1067916582 /nfs/dbraw/zinc/91/65/82/1067916582.db2.gz RRZRTCPOVDGOBL-CVEARBPZSA-N 0 1 477.580 4.507 20 0 JJADMN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CCOC)[C@H](C)C2)CCCC1 ZINC001546126384 1067921233 /nfs/dbraw/zinc/92/12/33/1067921233.db2.gz VVSSDOZNUQEKIW-RTWAWAEBSA-N 0 1 473.637 4.685 20 0 JJADMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(Br)cc2cccnc21 ZINC001461717111 1067923964 /nfs/dbraw/zinc/92/39/64/1067923964.db2.gz SPZBLCAAMCBMIB-JOCHJYFZSA-N 0 1 452.396 4.980 20 0 JJADMN COc1cc(Br)c(CNCCN(Cc2ccccc2)c2ccccn2)c(OC)c1 ZINC001461733990 1067927375 /nfs/dbraw/zinc/92/73/75/1067927375.db2.gz BJOCIWGKFGHNKH-UHFFFAOYSA-N 0 1 456.384 4.658 20 0 JJADMN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC001461786149 1067936850 /nfs/dbraw/zinc/93/68/50/1067936850.db2.gz RCAHQZQLJGQOKP-TZIWHRDSSA-N 0 1 450.938 4.995 20 0 JJADMN COc1cc(Br)c(CNc2nc3cc(Br)c(F)cc3[nH]2)c(OC)c1 ZINC001461809445 1067940401 /nfs/dbraw/zinc/94/04/01/1067940401.db2.gz CUVJBHDEJANKKG-UHFFFAOYSA-N 0 1 459.113 4.856 20 0 JJADMN Brc1cc(Br)cc(CN[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835439 1067944054 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1 453.505 4.988 20 0 JJADMN O=C(NC[C@@H]1CCCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1)c1ccccc1 ZINC001461915714 1067960805 /nfs/dbraw/zinc/96/08/05/1067960805.db2.gz KDOYOSAYQXATAF-FQEVSTJZSA-N 0 1 456.512 4.592 20 0 JJADMN CN(C[C@H]1CCCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C ZINC001461931838 1067963230 /nfs/dbraw/zinc/96/32/30/1067963230.db2.gz BYSLWCCYNIAKNH-HXUWFJFHSA-N 0 1 452.521 4.782 20 0 JJADMN CN(C)c1nc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(Cl)n1-c1ccccc1 ZINC001462009266 1067979643 /nfs/dbraw/zinc/97/96/43/1067979643.db2.gz MRCPKZHNTSSDEY-UHFFFAOYSA-N 0 1 458.437 4.953 20 0 JJADMN CN(C)c1nc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c(Cl)n1-c1ccccc1 ZINC001462009266 1067979647 /nfs/dbraw/zinc/97/96/47/1067979647.db2.gz MRCPKZHNTSSDEY-UHFFFAOYSA-N 0 1 458.437 4.953 20 0 JJADMN CN(C)C[C@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001462041561 1067987868 /nfs/dbraw/zinc/98/78/68/1067987868.db2.gz IXEMLVLOAHPCQR-AWEZNQCLSA-N 0 1 451.579 4.837 20 0 JJADMN CC[C@H](CC(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1)c1ccc(C)cc1 ZINC001462051470 1067991392 /nfs/dbraw/zinc/99/13/92/1067991392.db2.gz POAPUZYANPSCIL-HXUWFJFHSA-N 0 1 452.599 4.970 20 0 JJADMN Cc1cc(Br)c(CNC(C)(C)CNC(=O)OC(C)(C)C)cc1Br ZINC001462056827 1067992776 /nfs/dbraw/zinc/99/27/76/1067992776.db2.gz FNICFWXCTBZPOU-UHFFFAOYSA-N 0 1 450.215 4.913 20 0 JJADMN CC[C@H]1CN(Cc2c(Br)cncc2Br)CCN1Cc1ccccc1 ZINC001462059416 1067993253 /nfs/dbraw/zinc/99/32/53/1067993253.db2.gz WNLDMTOJHHYPHL-INIZCTEOSA-N 0 1 453.222 4.703 20 0 JJADMN O=C(COc1ccc(Cl)cc1Cl)N1CCN(CCCCCOc2ccccc2)CC1 ZINC001462105160 1068003702 /nfs/dbraw/zinc/00/37/02/1068003702.db2.gz NPLFMDXIYZCGNX-UHFFFAOYSA-N 0 1 451.394 4.766 20 0 JJADMN C[C@@H](N[C@@H](C)CCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(F)c2)no1 ZINC001462118293 1068008003 /nfs/dbraw/zinc/00/80/03/1068008003.db2.gz CFQQTGYBAUWTMB-DLBZAZTESA-N 0 1 450.514 4.771 20 0 JJADMN C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001462118296 1068008030 /nfs/dbraw/zinc/00/80/30/1068008030.db2.gz CFQQTGYBAUWTMB-SJORKVTESA-N 0 1 450.514 4.771 20 0 JJADMN COc1cc(CN2CCC(Nc3cccc(Br)c3)CC2)ccc1OC(=O)C1CC1 ZINC001462158761 1068018624 /nfs/dbraw/zinc/01/86/24/1068018624.db2.gz VUVSKSACLSVXAU-UHFFFAOYSA-N 0 1 459.384 4.850 20 0 JJADMN COc1cc(C)c(CN2CCC(c3nc(-c4ccccc4Br)no3)CC2)c(C)n1 ZINC001462193942 1068026520 /nfs/dbraw/zinc/02/65/20/1068026520.db2.gz VYEPNBHYZLJINT-UHFFFAOYSA-N 0 1 457.372 4.899 20 0 JJADMN COC(=O)c1ccc(CN[C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462198878 1068027674 /nfs/dbraw/zinc/02/76/74/1068027674.db2.gz FNSNFZGMTOACPS-KBXCAEBGSA-N 0 1 455.393 4.503 20 0 JJADMN COc1ccc(CN2CCC[C@H]2COC(=O)NC2CCCCC2)c(OCc2cccnc2)c1 ZINC001462216717 1068030750 /nfs/dbraw/zinc/03/07/50/1068030750.db2.gz IPZORIFUXWMFHE-QHCPKHFHSA-N 0 1 453.583 4.693 20 0 JJADMN COc1ccccc1O[C@@H]1CCCN(Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC001462224311 1068032554 /nfs/dbraw/zinc/03/25/54/1068032554.db2.gz GEJOSEFAJARTGU-OAQYLSRUSA-N 0 1 456.384 4.995 20 0 JJADMN COc1cc(CN2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OCC(F)F ZINC001462228618 1068033467 /nfs/dbraw/zinc/03/34/67/1068033467.db2.gz RNNHCMIAKLMHME-KRWDZBQOSA-N 0 1 458.546 4.617 20 0 JJADMN CCOc1ccc([C@H](O)C2CCN(Cc3ccc(C(=O)OC)cc3C(F)(F)F)CC2)cc1 ZINC001462276112 1068042374 /nfs/dbraw/zinc/04/23/74/1068042374.db2.gz NSGHEALZPTZEIC-QFIPXVFZSA-N 0 1 451.485 4.836 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2OCC(F)F)C[C@H]1c1ccccc1F ZINC001462337042 1068053637 /nfs/dbraw/zinc/05/36/37/1068053637.db2.gz ALWMZXUKSWRGQF-AZUAARDMSA-N 0 1 450.501 4.962 20 0 JJADMN CCOc1c(Cl)cccc1CN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001462361342 1068059696 /nfs/dbraw/zinc/05/96/96/1068059696.db2.gz NKEWUSGUSNLBGK-ZWKOTPCHSA-N 0 1 452.776 4.890 20 0 JJADMN COC(=O)[C@@H]1CN(Cc2cc(OC)c(OC)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001462360917 1068059796 /nfs/dbraw/zinc/05/97/96/1068059796.db2.gz LFWLUDOMZVADFL-DLBZAZTESA-N 0 1 468.775 4.508 20 0 JJADMN C[C@H](c1ccccc1)[C@@H](O)CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460298 1068079751 /nfs/dbraw/zinc/07/97/51/1068079751.db2.gz RUAQGDWXSOCCMP-QRWLVFNGSA-N 0 1 453.371 4.972 20 0 JJADMN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462482208 1068082295 /nfs/dbraw/zinc/08/22/95/1068082295.db2.gz BLBKUHSGRRETNW-ZDUSSCGKSA-N 0 1 459.871 4.507 20 0 JJADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC001462484070 1068082847 /nfs/dbraw/zinc/08/28/47/1068082847.db2.gz IBLJLEBFQZQEKY-OAQYLSRUSA-N 0 1 459.432 4.735 20 0 JJADMN CN(C)c1nc(CN2CC[C@@H]3CSC[C@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521929 1068090979 /nfs/dbraw/zinc/09/09/79/1068090979.db2.gz KEZGXWVEIPKEEB-ZIAGYGMSSA-N 0 1 455.853 4.539 20 0 JJADMN CCOC(=O)c1sc(CC2CCN(Cc3cn(-c4cccc(F)c4)nc3C)CC2)nc1C ZINC001462550922 1068096428 /nfs/dbraw/zinc/09/64/28/1068096428.db2.gz SDGJTQSTNTYFIQ-UHFFFAOYSA-N 0 1 456.587 4.716 20 0 JJADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC(c2cc(C)cc(C)c2)CC1 ZINC001462639925 1068121472 /nfs/dbraw/zinc/12/14/72/1068121472.db2.gz YMFVIEYVOGKAES-SFHVURJKSA-N 0 1 459.428 4.959 20 0 JJADMN CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC001462686906 1068132103 /nfs/dbraw/zinc/13/21/03/1068132103.db2.gz GDSRPKLXLPMKDQ-UHFFFAOYSA-N 0 1 458.546 4.569 20 0 JJADMN COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC001462716335 1068140582 /nfs/dbraw/zinc/14/05/82/1068140582.db2.gz XBSKOGBXZAMEGP-RUZDIDTESA-N 0 1 456.542 4.579 20 0 JJADMN CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001462731950 1068147113 /nfs/dbraw/zinc/14/71/13/1068147113.db2.gz VUEAVXVEVVOKFQ-IBGZPJMESA-N 0 1 453.530 4.756 20 0 JJADMN Cc1ccc(C2(C(=O)N[C@@H]3CCCN4CCSC[C@@H]34)CCCCC2)c(Br)c1 ZINC001462749606 1068154410 /nfs/dbraw/zinc/15/44/10/1068154410.db2.gz QFWDDFFPAKRQJD-UXHICEINSA-N 0 1 451.474 4.655 20 0 JJADMN CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3C[N@@H+](C)C3CCCCC3)cc21 ZINC001462775160 1068164306 /nfs/dbraw/zinc/16/43/06/1068164306.db2.gz HBJWHDCCTZYPRE-UHFFFAOYSA-N 0 1 455.624 4.551 20 0 JJADMN CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3C[N@H+](C)C3CCCCC3)cc21 ZINC001462775160 1068164315 /nfs/dbraw/zinc/16/43/15/1068164315.db2.gz HBJWHDCCTZYPRE-UHFFFAOYSA-N 0 1 455.624 4.551 20 0 JJADMN CCN(Cc1cccs1)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001462791224 1068168528 /nfs/dbraw/zinc/16/85/28/1068168528.db2.gz GXNIZTYCTZNNJU-BJKOFHAPSA-N 0 1 458.624 4.707 20 0 JJADMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC001462894896 1068206590 /nfs/dbraw/zinc/20/65/90/1068206590.db2.gz GOCZKGPULNKXIX-IEBWSBKVSA-N 0 1 451.430 4.604 20 0 JJADMN Cc1nc(S(=O)(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)sc1Br ZINC001463004287 1068246279 /nfs/dbraw/zinc/24/62/79/1068246279.db2.gz HKYJTZVUASSDPB-UHFFFAOYSA-N 0 1 457.459 4.912 20 0 JJADMN Cc1cccc([C@H](C)CNS(=O)(=O)c2scc(Br)c2Br)c1 ZINC001463149253 1068303921 /nfs/dbraw/zinc/30/39/21/1068303921.db2.gz QXHRUDBCZHLWKL-SNVBAGLBSA-N 0 1 453.221 4.664 20 0 JJADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001463229743 1068328050 /nfs/dbraw/zinc/32/80/50/1068328050.db2.gz IVAZLPXSTIURKT-ZJSXRUAMSA-N 0 1 450.604 4.597 20 0 JJADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC(F)F)C3)[nH]c2c1 ZINC001463408361 1068387290 /nfs/dbraw/zinc/38/72/90/1068387290.db2.gz ZWSGFYQLYYJZMO-CYBMUJFWSA-N 0 1 455.914 4.694 20 0 JJADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001463424085 1068392572 /nfs/dbraw/zinc/39/25/72/1068392572.db2.gz LCYWSUMKCVWJAM-MRXNPFEDSA-N 0 1 457.427 4.869 20 0 JJADMN CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3OC(F)(F)F)c3cnccc32)CC1 ZINC001463429316 1068394452 /nfs/dbraw/zinc/39/44/52/1068394452.db2.gz IWOYRYIGTGRVJC-RMKNXTFCSA-N 0 1 456.468 4.537 20 0 JJADMN CN1CCN(c2ccc(NC(=O)c3cc(F)c(C(F)(F)F)cc3F)c3cnccc32)CC1 ZINC001463429313 1068394550 /nfs/dbraw/zinc/39/45/50/1068394550.db2.gz IVPPADNCQPNDKL-UHFFFAOYSA-N 0 1 450.411 4.536 20 0 JJADMN C[C@@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC001463437083 1068397345 /nfs/dbraw/zinc/39/73/45/1068397345.db2.gz WOHCKTVZCDWFQC-QMMMGPOBSA-N 0 1 459.139 4.944 20 0 JJADMN O=S(=O)(N[C@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463487621 1068417093 /nfs/dbraw/zinc/41/70/93/1068417093.db2.gz CMVWYOVBSFMUAH-FZKQIMNGSA-N 0 1 455.926 4.545 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)N2CCCC2)cc1 ZINC001463570146 1068450313 /nfs/dbraw/zinc/45/03/13/1068450313.db2.gz YYKIHFTWGGKCPD-JOCHJYFZSA-N 0 1 459.377 4.755 20 0 JJADMN COc1ccc([C@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)N2CCCC2)cc1 ZINC001463570147 1068450370 /nfs/dbraw/zinc/45/03/70/1068450370.db2.gz YYKIHFTWGGKCPD-QFIPXVFZSA-N 0 1 459.377 4.755 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)N1CCCC1 ZINC001463575757 1068452506 /nfs/dbraw/zinc/45/25/06/1068452506.db2.gz ZHFQJBJBVVITJY-JOCHJYFZSA-N 0 1 452.986 4.718 20 0 JJADMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CC=CC1 ZINC001463587550 1068457578 /nfs/dbraw/zinc/45/75/78/1068457578.db2.gz DXNUTLRXICCOOE-UHFFFAOYSA-N 0 1 455.761 4.808 20 0 JJADMN CN(Cc1ccccc1)C1(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCC1 ZINC001463743396 1068510189 /nfs/dbraw/zinc/51/01/89/1068510189.db2.gz JGSZNHBWAPOFSA-UHFFFAOYSA-N 0 1 457.665 4.927 20 0 JJADMN CCc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2C)N(CC)CC)cc1 ZINC001463789810 1068524622 /nfs/dbraw/zinc/52/46/22/1068524622.db2.gz AWOCVPYOEMEBPF-FQEVSTJZSA-N 0 1 453.446 4.681 20 0 JJADMN CCc1ccc([C@H](CNS(=O)(=O)Cc2ccc(Br)cc2)N(CC)CC)cc1 ZINC001463796098 1068527554 /nfs/dbraw/zinc/52/75/54/1068527554.db2.gz VRMRTNJKYVUPGJ-NRFANRHFSA-N 0 1 453.446 4.514 20 0 JJADMN CCCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2=O)cc1 ZINC001463827039 1068538771 /nfs/dbraw/zinc/53/87/71/1068538771.db2.gz YUIRZNPQOUJGQA-RDPSFJRHSA-N 0 1 454.014 4.599 20 0 JJADMN O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1CCCN(Cc2ccccc2)CC1 ZINC001463827050 1068538843 /nfs/dbraw/zinc/53/88/43/1068538843.db2.gz ZADOITOGQLJSBL-UHFFFAOYSA-N 0 1 459.281 4.955 20 0 JJADMN CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)n2)cc1 ZINC001463834694 1068541323 /nfs/dbraw/zinc/54/13/23/1068541323.db2.gz DLVIHIXXTDRDNY-JOCHJYFZSA-N 0 1 452.986 4.922 20 0 JJADMN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001463839957 1068543633 /nfs/dbraw/zinc/54/36/33/1068543633.db2.gz ZDIMRSGADMPBQX-YYWHXJBOSA-N 0 1 452.039 4.923 20 0 JJADMN COc1ccc(NC(=O)c2cccc(I)c2O)cc1Cc1ccccc1 ZINC001463841098 1068544220 /nfs/dbraw/zinc/54/42/20/1068544220.db2.gz BGZXVNURGNWAHJ-UHFFFAOYSA-N 0 1 459.283 4.849 20 0 JJADMN O=S(=O)(Cc1cccc(Cl)c1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848974 1068547864 /nfs/dbraw/zinc/54/78/64/1068547864.db2.gz YGSYWVGMMSHWCM-BJKOFHAPSA-N 0 1 458.986 4.567 20 0 JJADMN Cc1cccc(N2CCN(CCCNC(=O)CSCc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001463869596 1068551250 /nfs/dbraw/zinc/55/12/50/1068551250.db2.gz AZYMILUBJREPDC-UHFFFAOYSA-N 0 1 453.696 4.854 20 0 JJADMN Cc1cccc(COc2cccc(C(=O)NCCCN3CCN(c4cccc(C)c4)CC3)c2)c1 ZINC001463876065 1068553382 /nfs/dbraw/zinc/55/33/82/1068553382.db2.gz GVUNNOSQQIZMSC-UHFFFAOYSA-N 0 1 457.618 4.825 20 0 JJADMN COc1ccc(CN2CCCN(C(=O)/C(=C\c3ccccc3OC)c3ccccc3)CC2)cc1 ZINC001463900306 1068559950 /nfs/dbraw/zinc/55/99/50/1068559950.db2.gz WENMZDOLFKZVBV-MEFGMAGPSA-N 0 1 456.586 4.979 20 0 JJADMN CCN(CC)[C@H](CNC(=O)COc1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001463914290 1068564191 /nfs/dbraw/zinc/56/41/91/1068564191.db2.gz KPZDORLBILGEQO-HXUWFJFHSA-N 0 1 453.808 4.989 20 0 JJADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001464019327 1068591169 /nfs/dbraw/zinc/59/11/69/1068591169.db2.gz ZZBIBNZAIUERER-ACJLOTCBSA-N 0 1 473.795 4.547 20 0 JJADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC001464095642 1068613419 /nfs/dbraw/zinc/61/34/19/1068613419.db2.gz MXCNAWIZJXOAFU-KRWDZBQOSA-N 0 1 458.331 4.638 20 0 JJADMN CC[C@H](CNC(=O)c1ccc(Sc2ccccc2Cl)nn1)N1CCc2ccccc2C1 ZINC001464100046 1068615449 /nfs/dbraw/zinc/61/54/49/1068615449.db2.gz LYFAXPZQDJURON-LJQANCHMSA-N 0 1 453.011 4.848 20 0 JJADMN Cc1sc(Br)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC001464117969 1068621249 /nfs/dbraw/zinc/62/12/49/1068621249.db2.gz BLPFFIAAMVNHDW-ZIAGYGMSSA-N 0 1 451.430 4.667 20 0 JJADMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n[nH]2)cc1C ZINC001464130610 1068627151 /nfs/dbraw/zinc/62/71/51/1068627151.db2.gz RLXOXXRPPLXIKH-UHFFFAOYSA-N 0 1 457.361 4.599 20 0 JJADMN CCCCCNC(=O)C1CCN(C(=O)[C@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 ZINC001464179576 1068644847 /nfs/dbraw/zinc/64/48/47/1068644847.db2.gz BUPQXCYAUJXHLL-NRFANRHFSA-N 0 1 455.565 4.633 20 0 JJADMN Cc1nc2c(F)cccc2cc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001464222642 1068664304 /nfs/dbraw/zinc/66/43/04/1068664304.db2.gz BXYYIIKVZSIBNO-UHFFFAOYSA-N 0 1 459.499 4.936 20 0 JJADMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC001464264719 1068680621 /nfs/dbraw/zinc/68/06/21/1068680621.db2.gz CGUWGUYNIIGLTM-UHFFFAOYSA-N 0 1 456.319 4.559 20 0 JJADMN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cnc(I)c(O)c2)cc1 ZINC001464279652 1068687933 /nfs/dbraw/zinc/68/79/33/1068687933.db2.gz JNLNCCNKXYGAPD-MRXNPFEDSA-N 0 1 450.320 4.667 20 0 JJADMN C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001464299481 1068696434 /nfs/dbraw/zinc/69/64/34/1068696434.db2.gz ONMBYAKGJPFAPF-ZDUSSCGKSA-N 0 1 453.436 4.615 20 0 JJADMN C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001464299481 1068696440 /nfs/dbraw/zinc/69/64/40/1068696440.db2.gz ONMBYAKGJPFAPF-ZDUSSCGKSA-N 0 1 453.436 4.615 20 0 JJADMN CC(C)COc1cccc(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001464300918 1068697708 /nfs/dbraw/zinc/69/77/08/1068697708.db2.gz QORPQRIIEKCLFL-QHCPKHFHSA-N 0 1 455.599 4.685 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)c1ccc(F)cc1 ZINC001464344532 1068713896 /nfs/dbraw/zinc/71/38/96/1068713896.db2.gz YCWHPPQTZGXNDA-FQEVSTJZSA-N 0 1 458.331 4.808 20 0 JJADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccn(-c3ccc(Br)cc3)n2)[nH]1 ZINC001464397011 1068730794 /nfs/dbraw/zinc/73/07/94/1068730794.db2.gz FMODANADPIEONP-UHFFFAOYSA-N 0 1 451.328 4.796 20 0 JJADMN CC(C)(CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CCc2ccccc2C1 ZINC001464493213 1068765731 /nfs/dbraw/zinc/76/57/31/1068765731.db2.gz CFNABVHGKCNLCR-UHFFFAOYSA-N 0 1 458.484 4.542 20 0 JJADMN Nc1c(Cl)c(F)cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1Cl ZINC001464507091 1068768803 /nfs/dbraw/zinc/76/88/03/1068768803.db2.gz NMCIUUXEGSMOLY-UHFFFAOYSA-N 0 1 454.310 4.768 20 0 JJADMN Cc1n[nH]c(I)c1C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC001464531499 1068774056 /nfs/dbraw/zinc/77/40/56/1068774056.db2.gz NHNYRRKRERJXPN-ZDUSSCGKSA-N 0 1 451.333 4.788 20 0 JJADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc2ccccc21 ZINC001464539527 1068776207 /nfs/dbraw/zinc/77/62/07/1068776207.db2.gz JTFIESIKTMHQGR-SFHVURJKSA-N 0 1 457.857 4.705 20 0 JJADMN Cc1ccc(C[C@H]2CCCN(C(=O)c3cn[nH]c3[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001464635010 1068806012 /nfs/dbraw/zinc/80/60/12/1068806012.db2.gz ZAOIPFGROJLMIN-RTWAWAEBSA-N 0 1 452.599 4.537 20 0 JJADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(Cl)cc(Br)c1 ZINC001464637601 1068806781 /nfs/dbraw/zinc/80/67/81/1068806781.db2.gz PDLISSGIPOXDCG-UHFFFAOYSA-N 0 1 456.525 4.902 20 0 JJADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001464640449 1068808159 /nfs/dbraw/zinc/80/81/59/1068808159.db2.gz WBLICKDJWZECTK-UHFFFAOYSA-N 0 1 454.259 4.813 20 0 JJADMN O=C(Nc1ccn(Cc2ccccc2)n1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464647451 1068810314 /nfs/dbraw/zinc/81/03/14/1068810314.db2.gz VIWWVQHHXRCUFU-UHFFFAOYSA-N 0 1 452.923 4.857 20 0 JJADMN CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC001464673030 1068819463 /nfs/dbraw/zinc/81/94/63/1068819463.db2.gz FUYLXYSKUGWXRP-XLIONFOSSA-N 0 1 455.603 4.507 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1 ZINC001464673968 1068820429 /nfs/dbraw/zinc/82/04/29/1068820429.db2.gz PFIMBCCMXSLGPS-UHFFFAOYSA-N 0 1 458.580 4.848 20 0 JJADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)CC2 ZINC001164691069 719757806 /nfs/dbraw/zinc/75/78/06/719757806.db2.gz KVAMLIFCTIKKAB-UHFFFAOYSA-N 0 1 483.390 4.781 20 0 JJADMN CCOC(=O)c1sc2nc(C)nc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2c1C ZINC001164693463 719813069 /nfs/dbraw/zinc/81/30/69/719813069.db2.gz VEGDVOFSNKLLDX-UHFFFAOYSA-N 0 1 485.679 4.885 20 0 JJADMN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164698351 719894525 /nfs/dbraw/zinc/89/45/25/719894525.db2.gz RVBGSUJHTQMFQF-UHFFFAOYSA-N 0 1 464.031 4.623 20 0 JJADMN Cc1nc2sc3c(c2c(N2CCC4(CC2)CN(Cc2cccs2)CCO4)n1)CCCC3 ZINC001164699041 719897665 /nfs/dbraw/zinc/89/76/65/719897665.db2.gz WASZMANIUGSMQK-UHFFFAOYSA-N 0 1 454.665 4.811 20 0 JJADMN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707560 719898851 /nfs/dbraw/zinc/89/88/51/719898851.db2.gz UATPCMPBEZQSCD-UHFFFAOYSA-N 0 1 480.968 4.868 20 0 JJADMN COc1ccc2nc(C(F)(F)N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc(Cl)c2c1 ZINC001164705415 719899173 /nfs/dbraw/zinc/89/91/73/719899173.db2.gz BMYVQWYGADHMDA-UHFFFAOYSA-N 0 1 494.995 4.770 20 0 JJADMN Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164706278 719906829 /nfs/dbraw/zinc/90/68/29/719906829.db2.gz GXFBJXJMLRAADG-UHFFFAOYSA-N 0 1 474.989 4.994 20 0 JJADMN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728815 720574629 /nfs/dbraw/zinc/57/46/29/720574629.db2.gz MLVSCPKYZNEKFY-UHFFFAOYSA-N 0 1 498.002 4.573 20 0 JJADMN COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164863243 720936225 /nfs/dbraw/zinc/93/62/25/720936225.db2.gz ZBEQYGOQCBMDIT-FQEVSTJZSA-N 0 1 486.620 4.835 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)[C@H]2C ZINC001164859208 720943656 /nfs/dbraw/zinc/94/36/56/720943656.db2.gz LFHFOOOPTMTHLB-INIZCTEOSA-N 0 1 460.960 4.960 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cc(OCc4ccccc4)ccc31)[C@@H]2C ZINC001164864827 721019361 /nfs/dbraw/zinc/01/93/61/721019361.db2.gz ZUQMQHPVUJDHJF-HXUWFJFHSA-N 0 1 456.594 4.827 20 0 JJADMN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866829 721066040 /nfs/dbraw/zinc/06/60/40/721066040.db2.gz FZWTXJYIIGOZDG-XZOQPEGZSA-N 0 1 470.951 4.822 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164763656 721101219 /nfs/dbraw/zinc/10/12/19/721101219.db2.gz GMPIXMRIOLKMNO-LOSJGSFVSA-N 0 1 450.590 4.502 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164763658 721101714 /nfs/dbraw/zinc/10/17/14/721101714.db2.gz GMPIXMRIOLKMNO-RPBOFIJWSA-N 0 1 450.590 4.502 20 0 JJADMN c1ccc(CN2CCc3nc(N4CCO[C@]5(CCC[C@@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780358 721383754 /nfs/dbraw/zinc/38/37/54/721383754.db2.gz GKNHROBAIZHETE-POURPWNDSA-N 0 1 484.644 4.627 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887245 721419875 /nfs/dbraw/zinc/41/98/75/721419875.db2.gz LPYPIHVUCSJMCO-QDPGVEIFSA-N 0 1 492.067 4.716 20 0 JJADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CCN3C2)c1 ZINC001164905953 721561740 /nfs/dbraw/zinc/56/17/40/721561740.db2.gz IEDRGGGXDDDLAN-TZIWHRDSSA-N 0 1 474.914 4.823 20 0 JJADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CCN3C2)c1 ZINC001164905951 721561930 /nfs/dbraw/zinc/56/19/30/721561930.db2.gz IEDRGGGXDDDLAN-PZJWPPBQSA-N 0 1 474.914 4.823 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164801176 721572014 /nfs/dbraw/zinc/57/20/14/721572014.db2.gz GJQBIIOKPPQPMG-UBFVSLLYSA-N 0 1 464.997 4.577 20 0 JJADMN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908514 721585480 /nfs/dbraw/zinc/58/54/80/721585480.db2.gz ZRUMRBPHJUZODJ-OAQYLSRUSA-N 0 1 479.909 4.961 20 0 JJADMN CSc1nc(Cl)cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908009 721586004 /nfs/dbraw/zinc/58/60/04/721586004.db2.gz XZFGYFFIBCRTGL-GOSISDBHSA-N 0 1 475.943 4.530 20 0 JJADMN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810103 721589339 /nfs/dbraw/zinc/58/93/39/721589339.db2.gz UJGKVFZOMJJNGE-QTEQDKRBSA-N 0 1 458.940 4.738 20 0 JJADMN FC1(F)CCN(c2cc(-c3nc(-c4cccs4)no3)ccn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911163 721730841 /nfs/dbraw/zinc/73/08/41/721730841.db2.gz IIUDHAKAPDOFTB-XMMPIXPASA-N 0 1 494.571 4.993 20 0 JJADMN FC1(F)CCN(c2cncc(OCc3cccc(Cl)c3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164910566 721734806 /nfs/dbraw/zinc/73/48/06/721734806.db2.gz GITXLEUHHVPWRZ-DEOSSOPVSA-N 0 1 485.966 4.842 20 0 JJADMN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1-c1ccccc1F ZINC001164912774 721735851 /nfs/dbraw/zinc/73/58/51/721735851.db2.gz QAFBJARXUSYORH-XMMPIXPASA-N 0 1 453.512 4.724 20 0 JJADMN FC1(F)CCN(c2c(Cl)nc(Cl)nc2C2CC2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164909100 721737686 /nfs/dbraw/zinc/73/76/86/721737686.db2.gz BGLTYIJWVQBECV-FQEVSTJZSA-N 0 1 454.352 4.794 20 0 JJADMN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014600 721767492 /nfs/dbraw/zinc/76/74/92/721767492.db2.gz GZTWIOCBYKRBMC-UHFFFAOYSA-N 0 1 452.852 4.735 20 0 JJADMN CCS(=O)(=O)c1cc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)cnc1Cl ZINC001165015310 721768305 /nfs/dbraw/zinc/76/83/05/721768305.db2.gz KJKQBSHQOXRDRO-UHFFFAOYSA-N 0 1 492.935 4.585 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc3ccn(C(=O)c4ccccc4)c3n2)CC1 ZINC001165021188 721843000 /nfs/dbraw/zinc/84/30/00/721843000.db2.gz GVHWMKUHKYDPFP-UHFFFAOYSA-N 0 1 484.600 4.843 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001165030849 721844090 /nfs/dbraw/zinc/84/40/90/721844090.db2.gz KHBPEBZNTVTQHB-UHFFFAOYSA-N 0 1 491.617 4.978 20 0 JJADMN c1sc2nc(CN3CCCCC3)nc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC001165036241 721918148 /nfs/dbraw/zinc/91/81/48/721918148.db2.gz AUCLUSDBUPWVQV-QFIPXVFZSA-N 0 1 477.678 4.645 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nc5cc(F)c(F)cc5nc4Cl)CC3)C2)cc1 ZINC001164939385 721925087 /nfs/dbraw/zinc/92/50/87/721925087.db2.gz LEVWKSNZZALFLZ-UHFFFAOYSA-N 0 1 458.940 4.741 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC3)C2)cc1 ZINC001164940192 721929399 /nfs/dbraw/zinc/92/93/99/721929399.db2.gz RKJDHFYRBPMCAR-UHFFFAOYSA-N 0 1 471.379 4.594 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5oc(-c6ccc(C)cc6)nc54)CC3)C2)cc1 ZINC001164940682 721931028 /nfs/dbraw/zinc/93/10/28/721931028.db2.gz WUNUOVHBTQDTHX-UHFFFAOYSA-N 0 1 469.589 4.773 20 0 JJADMN COc1ccc(Oc2cc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nc(C)n2)cc1 ZINC001164940233 721932998 /nfs/dbraw/zinc/93/29/98/721932998.db2.gz SRQHEIOQQYEVLQ-UHFFFAOYSA-N 0 1 474.605 4.766 20 0 JJADMN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@H]21 ZINC001164954377 722004135 /nfs/dbraw/zinc/00/41/35/722004135.db2.gz WVDUHVHOBWLPQE-RPBOFIJWSA-N 0 1 461.613 4.817 20 0 JJADMN c1ccc(-c2nc(-c3ccccc3)nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)cc1 ZINC001164962228 722055228 /nfs/dbraw/zinc/05/52/28/722055228.db2.gz BTFWXJAFMNIQCJ-UHFFFAOYSA-N 0 1 492.627 4.720 20 0 JJADMN c1ccc2c(c1)cccc2-c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nn1 ZINC001164959948 722060861 /nfs/dbraw/zinc/06/08/61/722060861.db2.gz ACJWNPHBDQAFCA-UHFFFAOYSA-N 0 1 465.601 4.811 20 0 JJADMN c1cc(CN2CCOCC3(CCN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC3)C2)ccn1 ZINC001164960658 722061298 /nfs/dbraw/zinc/06/12/98/722061298.db2.gz GDTUIXMTZMSEQF-UHFFFAOYSA-N 0 1 498.675 4.648 20 0 JJADMN Cc1cncc(COCc2cnc3n2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)[C@@H]3C)c1 ZINC001164966354 722063030 /nfs/dbraw/zinc/06/30/30/722063030.db2.gz RLOWIKSJYBCYLG-HSZRJFAPSA-N 0 1 494.643 4.838 20 0 JJADMN Clc1cc2nc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1Cl ZINC001164971434 722108207 /nfs/dbraw/zinc/10/82/07/722108207.db2.gz CLFDTTXWWZSIAE-FOIQADDNSA-N 0 1 478.811 4.712 20 0 JJADMN Clc1cc2nc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1Cl ZINC001164971436 722108398 /nfs/dbraw/zinc/10/83/98/722108398.db2.gz CLFDTTXWWZSIAE-MGPUTAFESA-N 0 1 478.811 4.712 20 0 JJADMN c1ccc(CN2CCc3nc(N4CCC[C@@]5(C[C@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976767 722164562 /nfs/dbraw/zinc/16/45/62/722164562.db2.gz CVSMJZYNSCLKPF-LITSAYRRSA-N 0 1 461.650 4.975 20 0 JJADMN CN(C)C(=O)c1cc2cnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2n1C1CCCC1 ZINC001164995387 722199480 /nfs/dbraw/zinc/19/94/80/722199480.db2.gz NEJBAHFOCQIRHO-MUUNZHRXSA-N 0 1 490.627 4.632 20 0 JJADMN CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001359719071 1064266179 /nfs/dbraw/zinc/26/61/79/1064266179.db2.gz AWPXXNFXUILAFA-ISKFKSNPSA-N 0 1 496.700 4.759 20 0 JJADMN CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001359719395 1064266731 /nfs/dbraw/zinc/26/67/31/1064266731.db2.gz LDNQCCJSRXELKT-QFIPXVFZSA-N 0 1 475.685 4.833 20 0 JJADMN CC(C)c1nnc(N2CCN(CCc3ccccc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001359720551 1064267964 /nfs/dbraw/zinc/26/79/64/1064267964.db2.gz WHYCATVQYZBWIT-UHFFFAOYSA-N 0 1 463.573 4.895 20 0 JJADMN CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(C)C)CC1)N1CCOCC1 ZINC001359739626 1064308415 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ZINC001440866137 1065985340 /nfs/dbraw/zinc/98/53/40/1065985340.db2.gz JJSQQWFWBCGULN-XMMPIXPASA-N 0 1 451.998 4.812 20 0 JJADMN Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001440865555 1065985476 /nfs/dbraw/zinc/98/54/76/1065985476.db2.gz PXIOVQXZFNMKIA-RPWUZVMVSA-N 0 1 457.659 4.893 20 0 JJADMN CCN(CC)[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1ccccc1Cl ZINC001440876002 1065987623 /nfs/dbraw/zinc/98/76/23/1065987623.db2.gz JHNHWDZNOPOYRM-LJQANCHMSA-N 0 1 450.345 4.526 20 0 JJADMN Cc1sc(NC(=O)CC2(N3CCOCC3)CCCC2)nc1-c1ccc(OC(F)F)cc1 ZINC001440923248 1065994261 /nfs/dbraw/zinc/99/42/61/1065994261.db2.gz KCYPAEPBHAMLJG-UHFFFAOYSA-N 0 1 451.539 4.694 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)c1C ZINC001360869538 1065997965 /nfs/dbraw/zinc/99/79/65/1065997965.db2.gz ICSINBDBAGJYOT-WIVXBSKCSA-N 0 1 483.701 4.874 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001441011071 1066000286 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IYVDWFJARSZPBZ-QPPBQGQZSA-N 0 1 454.014 4.653 20 0 JJADMN CC1=C(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001360880744 1066033556 /nfs/dbraw/zinc/03/35/56/1066033556.db2.gz BWPYLXDJLLULGQ-NRFANRHFSA-N 0 1 499.084 4.772 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(OC(F)F)cc3OC(F)F)n2)cc1 ZINC001441366398 1066035568 /nfs/dbraw/zinc/03/55/68/1066035568.db2.gz CUFFBVHSHHOLMK-UHFFFAOYSA-N 0 1 456.421 4.714 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3cccc(COCc4ccccc4)c3)n2)cc1 ZINC001441429621 1066041199 /nfs/dbraw/zinc/04/11/99/1066041199.db2.gz QQOUQNTYUPRELS-UHFFFAOYSA-N 0 1 458.587 4.905 20 0 JJADMN COc1cccc(C(F)F)c1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001441547175 1066049588 /nfs/dbraw/zinc/04/95/88/1066049588.db2.gz KXHORHUYXZPHHE-UHFFFAOYSA-N 0 1 456.467 4.887 20 0 JJADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001441669777 1066059634 /nfs/dbraw/zinc/05/96/34/1066059634.db2.gz WNOMIVXTUYVGJN-XMMPIXPASA-N 0 1 453.558 4.974 20 0 JJADMN CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 ZINC001441678514 1066060409 /nfs/dbraw/zinc/06/04/09/1066060409.db2.gz HOROTAZVMMGIDF-UHFFFAOYSA-N 0 1 450.539 4.608 20 0 JJADMN Cc1nc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)sc1Cc1cccc(Br)c1 ZINC001441797201 1066070222 /nfs/dbraw/zinc/07/02/22/1066070222.db2.gz IKRBSZPYRKLATF-UHFFFAOYSA-N 0 1 454.353 4.842 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)N1CCCCC1 ZINC001441886746 1066078166 /nfs/dbraw/zinc/07/81/66/1066078166.db2.gz PBZNZXLVBAWHRM-GNNUASRNSA-N 0 1 454.567 4.600 20 0 JJADMN CC(C)(C)N1CCN(C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1 ZINC001441965311 1066083469 /nfs/dbraw/zinc/08/34/69/1066083469.db2.gz BHSDSHOEUQKNFI-UHFFFAOYSA-N 0 1 453.384 4.616 20 0 JJADMN Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](c2ccco2)N(C)C)cnn1C ZINC001360929642 1066085768 /nfs/dbraw/zinc/08/57/68/1066085768.db2.gz LFGJBOIERAOCRU-XMSQKQJNSA-N 0 1 498.031 4.646 20 0 JJADMN Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](c2ccco2)N(C)C)cnn1C ZINC001360929641 1066085803 /nfs/dbraw/zinc/08/58/03/1066085803.db2.gz LFGJBOIERAOCRU-PGRDOPGGSA-N 0 1 498.031 4.646 20 0 JJADMN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1[nH]cnc1C(=O)c1ccccc1 ZINC001442078290 1066090831 /nfs/dbraw/zinc/09/08/31/1066090831.db2.gz HFGIMZLDUNHIQB-UHFFFAOYSA-N 0 1 456.449 4.959 20 0 JJADMN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1nc[nH]c1C(=O)c1ccccc1 ZINC001442078290 1066090841 /nfs/dbraw/zinc/09/08/41/1066090841.db2.gz HFGIMZLDUNHIQB-UHFFFAOYSA-N 0 1 456.449 4.959 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccn2)ccc1Cl ZINC001442248610 1066108422 /nfs/dbraw/zinc/10/84/22/1066108422.db2.gz MUMJPZBJZORTSQ-NRFANRHFSA-N 0 1 455.967 4.822 20 0 JJADMN CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1 ZINC001442331278 1066117033 /nfs/dbraw/zinc/11/70/33/1066117033.db2.gz HYCQDCSSNVJOFK-UHFFFAOYSA-N 0 1 452.530 4.877 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)C1 ZINC001442727691 1066156106 /nfs/dbraw/zinc/15/61/06/1066156106.db2.gz XWSILWTWOUCDAK-AVRWGWEMSA-N 0 1 453.587 4.745 20 0 JJADMN CC[C@@H](CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1ccccc1 ZINC001442768994 1066159034 /nfs/dbraw/zinc/15/90/34/1066159034.db2.gz PBVZOZXKTYTTNQ-INIZCTEOSA-N 0 1 458.967 4.770 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CCCCN1CCOCC1 ZINC001360990045 1066165194 /nfs/dbraw/zinc/16/51/94/1066165194.db2.gz PHRAXWYQKVMOAB-IBGZPJMESA-N 0 1 498.018 4.646 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCCCCCO ZINC001360991643 1066170281 /nfs/dbraw/zinc/17/02/81/1066170281.db2.gz DQCMFKMDFMBOLS-GGAORHGYSA-N 0 1 490.092 4.916 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCCN1CCOCC1 ZINC001360991928 1066170800 /nfs/dbraw/zinc/17/08/00/1066170800.db2.gz GZEQHILQGVORRJ-URVUXULASA-N 0 1 494.055 4.595 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC[C@@H]1CCOC1 ZINC001360992949 1066172612 /nfs/dbraw/zinc/17/26/12/1066172612.db2.gz WVCUBJCPXOMZFC-NHCUHLMSSA-N 0 1 476.065 4.645 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1 ZINC001361026832 1066227711 /nfs/dbraw/zinc/22/77/11/1066227711.db2.gz IANPXHDRDNRNMK-AZGAKELHSA-N 0 1 483.701 4.703 20 0 JJADMN Cc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2Br)N2CCCC2)o1 ZINC001442870953 1066235595 /nfs/dbraw/zinc/23/55/95/1066235595.db2.gz GJBHEVLTHJJSHP-KRWDZBQOSA-N 0 1 455.780 4.726 20 0 JJADMN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC001442880711 1066236434 /nfs/dbraw/zinc/23/64/34/1066236434.db2.gz QQEHTHWMAYCHRX-HXUWFJFHSA-N 0 1 455.603 4.507 20 0 JJADMN CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC001442903548 1066238177 /nfs/dbraw/zinc/23/81/77/1066238177.db2.gz GVPHJDULRKYXTJ-UHFFFAOYSA-N 0 1 450.583 4.738 20 0 JJADMN COc1ccc(C(=O)CCC(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)cc1OC ZINC001454123820 1066248553 /nfs/dbraw/zinc/24/85/53/1066248553.db2.gz YJTQHZOAKVQVMG-UHFFFAOYSA-N 0 1 452.595 4.568 20 0 JJADMN C[C@H](NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC001454217085 1066254737 /nfs/dbraw/zinc/25/47/37/1066254737.db2.gz HYDQNVRXUFAAGJ-LBPRGKRZSA-N 0 1 458.747 4.715 20 0 JJADMN CCOc1cc(/C=C/C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)ccc1O ZINC001443084523 1066264193 /nfs/dbraw/zinc/26/41/93/1066264193.db2.gz AZMOLKPEEACEQX-OQLLNIDSSA-N 0 1 451.567 4.647 20 0 JJADMN O=C(CCC(=O)c1ccc(Cl)cn1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001443096090 1066266571 /nfs/dbraw/zinc/26/65/71/1066266571.db2.gz ZILRDYGRLZJYRC-UHFFFAOYSA-N 0 1 456.974 4.541 20 0 JJADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152708 1066274381 /nfs/dbraw/zinc/27/43/81/1066274381.db2.gz CFVJUGQOZGONHQ-KRWDZBQOSA-N 0 1 457.405 4.829 20 0 JJADMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396568 1066277380 /nfs/dbraw/zinc/27/73/80/1066277380.db2.gz BSUDSPQPZUDIIJ-VGSWGCGISA-N 0 1 457.496 4.816 20 0 JJADMN CCCc1c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406826 1066279476 /nfs/dbraw/zinc/27/94/76/1066279476.db2.gz POSJULCROYNULV-GCJKJVERSA-N 0 1 452.002 4.514 20 0 JJADMN CCC1(N2CCOCC2)CCN(C(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)CC1 ZINC001454475532 1066288501 /nfs/dbraw/zinc/28/85/01/1066288501.db2.gz DDTGKFXYINABNO-UHFFFAOYSA-N 0 1 452.382 4.674 20 0 JJADMN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC001443270293 1066288548 /nfs/dbraw/zinc/28/85/48/1066288548.db2.gz VSZISWZSXQBVQT-UHFFFAOYSA-N 0 1 452.923 4.783 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3F)[nH]n2)c(OC)c1 ZINC001443272986 1066288688 /nfs/dbraw/zinc/28/86/88/1066288688.db2.gz RWXSUGNLULPYMZ-UHFFFAOYSA-N 0 1 456.474 4.832 20 0 JJADMN Cc1c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)n[nH]c1C(F)(F)F ZINC001443304258 1066293086 /nfs/dbraw/zinc/29/30/86/1066293086.db2.gz OREIWWPIHKGFGT-UHFFFAOYSA-N 0 1 457.456 4.888 20 0 JJADMN CN(C)C[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573467 1066303080 /nfs/dbraw/zinc/30/30/80/1066303080.db2.gz DSGFDXOSUPKPCR-FHLIZLRMSA-N 0 1 458.430 4.652 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c1C ZINC001443414916 1066307868 /nfs/dbraw/zinc/30/78/68/1066307868.db2.gz VXJLJRRVSXXQOJ-UHFFFAOYSA-N 0 1 450.558 4.578 20 0 JJADMN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1nccnc1-c1nc2ccccc2s1 ZINC001454601025 1066308617 /nfs/dbraw/zinc/30/86/17/1066308617.db2.gz YABUQKNCDZRYAZ-UHFFFAOYSA-N 0 1 458.397 4.511 20 0 JJADMN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOC(C)(C)C)cc(N2CCCC2)n1 ZINC001361073988 1066315042 /nfs/dbraw/zinc/31/50/42/1066315042.db2.gz UNTZIHBIZPRXOY-UHFFFAOYSA-N 0 1 484.048 4.597 20 0 JJADMN Cc1cc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc([S@](C)=O)cc2)cc(N2CCCC2)n1 ZINC001361078621 1066318152 /nfs/dbraw/zinc/31/81/52/1066318152.db2.gz WIMKMBYUGGGYOM-DHUJRADRSA-N 0 1 494.709 4.592 20 0 JJADMN Cc1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CCC(F)F)cc(N2CCCC2)n1 ZINC001361084753 1066323586 /nfs/dbraw/zinc/32/35/86/1066323586.db2.gz ZQJYEOZVKDHTDP-UHFFFAOYSA-N 0 1 484.595 4.917 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1ccco1)N(C)C ZINC001361088824 1066333264 /nfs/dbraw/zinc/33/32/64/1066333264.db2.gz LYKAQHCTDKEXRR-WIYYLYMNSA-N 0 1 472.033 4.994 20 0 JJADMN O=C(Cc1ccccc1OC1CCCC1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443627256 1066338882 /nfs/dbraw/zinc/33/88/82/1066338882.db2.gz AAWXZHUVOPWSLB-UHFFFAOYSA-N 0 1 456.030 4.532 20 0 JJADMN CC(C)COc1ccc(C(C)(C)NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC001443628413 1066339619 /nfs/dbraw/zinc/33/96/19/1066339619.db2.gz IDZQBFAIUVVWCT-UHFFFAOYSA-N 0 1 458.046 4.938 20 0 JJADMN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443629092 1066339751 /nfs/dbraw/zinc/33/97/51/1066339751.db2.gz DLOZEWBCHMSTDL-BIGNBACZSA-N 0 1 456.030 4.859 20 0 JJADMN CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)cc1 ZINC001443640327 1066343567 /nfs/dbraw/zinc/34/35/67/1066343567.db2.gz GFRCDQVZWKLIPP-QHCPKHFHSA-N 0 1 452.624 4.649 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001546066710 1066345034 /nfs/dbraw/zinc/34/50/34/1066345034.db2.gz TVEKMCMIIZKOCN-FIPFOOKPSA-N 0 1 499.700 4.724 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001546066712 1066345208 /nfs/dbraw/zinc/34/52/08/1066345208.db2.gz TVEKMCMIIZKOCN-NEKDWFFYSA-N 0 1 499.700 4.724 20 0 JJADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(F)c(F)c(F)c2F)c1 ZINC001454968055 1066347540 /nfs/dbraw/zinc/34/75/40/1066347540.db2.gz AZOGTVOOOXOYGC-UHFFFAOYSA-N 0 1 452.429 4.913 20 0 JJADMN O=C(c1cccc(I)c1O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC001443693923 1066351156 /nfs/dbraw/zinc/35/11/56/1066351156.db2.gz YDDHGGWSYMFTAR-UHFFFAOYSA-N 0 1 457.258 4.860 20 0 JJADMN COC(=O)CCSCc1cccc(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)c1 ZINC001443704982 1066354134 /nfs/dbraw/zinc/35/41/34/1066354134.db2.gz SVKABXQFYDNNFR-FQEVSTJZSA-N 0 1 454.636 4.765 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)C[C@@H]2CC=CCC2)n1 ZINC001361123958 1066375943 /nfs/dbraw/zinc/37/59/43/1066375943.db2.gz RSKCZAODCMZGJM-OAQYLSRUSA-N 0 1 463.630 4.751 20 0 JJADMN Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)C[C@@H]2CC=CCC2)[nH]1 ZINC001361123958 1066375955 /nfs/dbraw/zinc/37/59/55/1066375955.db2.gz RSKCZAODCMZGJM-OAQYLSRUSA-N 0 1 463.630 4.751 20 0 JJADMN Cc1ccc([C@@H]2CCN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)C2(C)C)cc1 ZINC001455287923 1066381181 /nfs/dbraw/zinc/38/11/81/1066381181.db2.gz ZRSMBDYGJLRUGX-UXHICEINSA-N 0 1 452.599 4.851 20 0 JJADMN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001455319023 1066383320 /nfs/dbraw/zinc/38/33/20/1066383320.db2.gz YYDSTIFWDVPPJV-GOSISDBHSA-N 0 1 453.367 4.540 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N(C)OC3CCCC3)n2CCN2CCSCC2)c1 ZINC001361126573 1066385435 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JJADMN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)o1 ZINC001361171472 1066487358 /nfs/dbraw/zinc/48/73/58/1066487358.db2.gz UTTUFLDBAPIBSW-UGKGYDQZSA-N 0 1 455.578 4.540 20 0 JJADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(Br)ccc1OCc1ccccc1 ZINC001444744873 1066500777 /nfs/dbraw/zinc/50/07/77/1066500777.db2.gz NXNXUXUTPLIRSX-UHFFFAOYSA-N 0 1 454.299 4.974 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361181081 1066502521 /nfs/dbraw/zinc/50/25/21/1066502521.db2.gz PKXUROZZJFNDCR-KDURUIRLSA-N 0 1 455.578 4.510 20 0 JJADMN Cc1nc2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)ccc2s1 ZINC001456110895 1066511625 /nfs/dbraw/zinc/51/16/25/1066511625.db2.gz XMWTZZJEEZTTOY-UHFFFAOYSA-N 0 1 459.499 4.936 20 0 JJADMN Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](c2ccccc2Cl)N(C)C)o1 ZINC001361195716 1066522617 /nfs/dbraw/zinc/52/26/17/1066522617.db2.gz FENDEKVFDDJVDP-CVAIRZPRSA-N 0 1 497.949 4.959 20 0 JJADMN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C[C@H]1CCCO1 ZINC001445082312 1066537516 /nfs/dbraw/zinc/53/75/16/1066537516.db2.gz ORYKGZWYJDSTGY-LJQANCHMSA-N 0 1 456.587 4.965 20 0 JJADMN CN(C)[C@H](CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 ZINC001445093872 1066539278 /nfs/dbraw/zinc/53/92/78/1066539278.db2.gz VEZWGGATRFVFCY-JOCHJYFZSA-N 0 1 458.002 4.599 20 0 JJADMN CN(C)[C@@H](CNC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccc(Cl)cc1 ZINC001445097533 1066539740 /nfs/dbraw/zinc/53/97/40/1066539740.db2.gz YGAWXWXXTSIVEC-QFIPXVFZSA-N 0 1 458.002 4.546 20 0 JJADMN O=C(Cc1ccc(Cl)cc1Br)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001456237116 1066541906 /nfs/dbraw/zinc/54/19/06/1066541906.db2.gz YNXDCGIXIYAGSV-UHFFFAOYSA-N 0 1 450.686 4.793 20 0 JJADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(CN4CCOCC4)c(C(F)(F)F)c3)[nH]n2)cc1C ZINC001456268174 1066550374 /nfs/dbraw/zinc/55/03/74/1066550374.db2.gz IPAHXQURGIXRSR-UHFFFAOYSA-N 0 1 458.484 4.797 20 0 JJADMN 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JJADMN Cc1ccccc1-c1cc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)n(CCO)n1 ZINC001457597603 1066875343 /nfs/dbraw/zinc/87/53/43/1066875343.db2.gz ZUHAFDLXQTZLGE-UHFFFAOYSA-N 0 1 454.574 4.735 20 0 JJADMN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC001447912400 1066875877 /nfs/dbraw/zinc/87/58/77/1066875877.db2.gz KITZKMMMFGZQOR-GOSISDBHSA-N 0 1 457.481 4.590 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)ccc2Cl)cc1 ZINC001457631681 1066886787 /nfs/dbraw/zinc/88/67/87/1066886787.db2.gz IFHQNILOKCARTE-BXTJHSDWSA-N 0 1 450.988 4.704 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)ccc2Cl)cc1 ZINC001457631685 1066886810 /nfs/dbraw/zinc/88/68/10/1066886810.db2.gz IFHQNILOKCARTE-QEEYODRMSA-N 0 1 450.988 4.704 20 0 JJADMN COc1ccc([C@H](NC(C)C)C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001457640230 1066889102 /nfs/dbraw/zinc/88/91/02/1066889102.db2.gz MJCFWHYMLNCMMQ-QHCPKHFHSA-N 0 1 453.583 4.666 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021119 1066890965 /nfs/dbraw/zinc/89/09/65/1066890965.db2.gz FKPDNORCBXRVAX-SFTDATJTSA-N 0 1 456.455 4.967 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1)c1cccc(C(F)(F)F)c1 ZINC001448021117 1066890985 /nfs/dbraw/zinc/89/09/85/1066890985.db2.gz FKPDNORCBXRVAX-RTWAWAEBSA-N 0 1 456.455 4.967 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001448070687 1066896285 /nfs/dbraw/zinc/89/62/85/1066896285.db2.gz WIMXXTCKHOFNRB-QFIPXVFZSA-N 0 1 455.480 4.990 20 0 JJADMN Cc1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)nn1-c1ccc(Cl)cc1 ZINC001448070303 1066896462 /nfs/dbraw/zinc/89/64/62/1066896462.db2.gz VRORTKFPLDFKPU-HXUWFJFHSA-N 0 1 450.892 4.886 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)CCOc3ccc(Cl)cc3Br)[nH]c2c1 ZINC001448107047 1066900142 /nfs/dbraw/zinc/90/01/42/1066900142.db2.gz URDIMYDOIJJGMO-NSHDSACASA-N 0 1 452.736 4.634 20 0 JJADMN 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ZINC001448241805 1066914577 /nfs/dbraw/zinc/91/45/77/1066914577.db2.gz GVALLGMIJLBGHE-UHFFFAOYSA-N 0 1 453.340 4.922 20 0 JJADMN O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC001448342418 1066918093 /nfs/dbraw/zinc/91/80/93/1066918093.db2.gz GVTYFNJWNJMVGT-UHFFFAOYSA-N 0 1 453.804 4.695 20 0 JJADMN CC(C)[C@H](NC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1)[C@H](O)c1ccccc1 ZINC001457780003 1066918328 /nfs/dbraw/zinc/91/83/28/1066918328.db2.gz NWAHJOKZJFQTKN-RRPNLBNLSA-N 0 1 455.558 4.510 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457785814 1066919336 /nfs/dbraw/zinc/91/93/36/1066919336.db2.gz CVSICJZSAXAXNT-SFHVURJKSA-N 0 1 450.564 4.564 20 0 JJADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC001457790569 1066921261 /nfs/dbraw/zinc/92/12/61/1066921261.db2.gz WSITVQCTKMRCNK-GDZNZVCISA-N 0 1 454.402 4.647 20 0 JJADMN C[C@H](O)[C@](C)(CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)Cc1ccccc1 ZINC001457801704 1066923613 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OKKFOJPQJHVTSV-SMDDNHRTSA-N 0 1 467.296 4.722 20 0 JJADMN C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccccc1 ZINC001458005124 1066955672 /nfs/dbraw/zinc/95/56/72/1066955672.db2.gz QDDIFQAICKIOKF-JSRBNTPPSA-N 0 1 457.659 4.972 20 0 JJADMN CC(C)C[C@](C)(NC(=O)C1CCC(N2CCOCC2)CC1)c1cccc(Br)c1 ZINC001448930717 1066971408 /nfs/dbraw/zinc/97/14/08/1066971408.db2.gz AIWWFMNXSCSQHZ-HCPAQRILSA-N 0 1 451.449 4.718 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNc3ncnc4cc(F)c(Br)cc43)cc2)C[C@H](C)O1 ZINC001458102418 1066976168 /nfs/dbraw/zinc/97/61/68/1066976168.db2.gz XEWSXWSGRQLTLJ-GASCZTMLSA-N 0 1 459.363 4.753 20 0 JJADMN CC[C@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001545724101 1066980523 /nfs/dbraw/zinc/98/05/23/1066980523.db2.gz LWSBQSMBRSGVRI-INIZCTEOSA-N 0 1 490.559 4.601 20 0 JJADMN CC[C@H](c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1nnc(C)[nH]1)c1ccccc1 ZINC001545724101 1066980530 /nfs/dbraw/zinc/98/05/30/1066980530.db2.gz LWSBQSMBRSGVRI-INIZCTEOSA-N 0 1 490.559 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CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCCCC1)N1CCOCC1 ZINC001545817827 1067151285 /nfs/dbraw/zinc/15/12/85/1067151285.db2.gz QEOCSELVIRHANM-DEOSSOPVSA-N 0 1 457.638 4.525 20 0 JJADMN CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1)N1CCOCC1 ZINC001545817891 1067151881 /nfs/dbraw/zinc/15/18/81/1067151881.db2.gz RLUCIFHFUDUSSM-VXKWHMMOSA-N 0 1 457.663 4.591 20 0 JJADMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cc2)cc1C ZINC001451198364 1067153379 /nfs/dbraw/zinc/15/33/79/1067153379.db2.gz RSTUZPCIWHABNA-UHFFFAOYSA-N 0 1 451.592 4.727 20 0 JJADMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001451233889 1067154517 /nfs/dbraw/zinc/15/45/17/1067154517.db2.gz RNWJKMHWUIIFPN-UHFFFAOYSA-N 0 1 453.417 4.639 20 0 JJADMN CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C(C)C)C1)N1CCOCC1 ZINC001545820372 1067159206 /nfs/dbraw/zinc/15/92/06/1067159206.db2.gz WIGPLATXRXZPSY-GOTSBHOMSA-N 0 1 491.771 4.645 20 0 JJADMN 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CC[C@H](Oc1ccccc1C)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC001451927718 1067198830 /nfs/dbraw/zinc/19/88/30/1067198830.db2.gz XLRJPNIKBMZHIV-SIKLNZKXSA-N 0 1 454.368 4.812 20 0 JJADMN O=C(Nc1ccc2c(c1)CCCC2=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC001452164327 1067211544 /nfs/dbraw/zinc/21/15/44/1067211544.db2.gz MZRFOHVNJLUBKZ-UHFFFAOYSA-N 0 1 454.935 4.912 20 0 JJADMN O=C(NCCCCc1nc(-c2ccccn2)cs1)c1n[nH]c2ccc(Br)cc21 ZINC001452498135 1067229068 /nfs/dbraw/zinc/22/90/68/1067229068.db2.gz LJUFPPYYXLXUSL-UHFFFAOYSA-N 0 1 456.369 4.597 20 0 JJADMN CCOC(=O)c1c(C)[nH]nc1CSc1nc2cc(F)ccc2n1CCOc1ccccc1 ZINC001459038842 1067236354 /nfs/dbraw/zinc/23/63/54/1067236354.db2.gz PYGDXJTZPHQZFP-UHFFFAOYSA-N 0 1 454.527 4.755 20 0 JJADMN COc1ccc(-n2c(C)nnc2SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC001459056377 1067240915 /nfs/dbraw/zinc/24/09/15/1067240915.db2.gz JLRUTYWZXAJZDS-UHFFFAOYSA-N 0 1 458.031 4.542 20 0 JJADMN COc1ccc(-c2n[nH]c(SCc3nc(-c4cccs4)no3)n2)cc1Br ZINC001459068885 1067243421 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O=C(CN(CCCOc1ccccc1)C1CCOCC1)Nc1nc(-c2cccs2)cs1 ZINC001459905119 1067482510 /nfs/dbraw/zinc/48/25/10/1067482510.db2.gz JJJORPQIWZBTFA-UHFFFAOYSA-N 0 1 457.621 4.760 20 0 JJADMN CC(C)(C)OC(=O)c1cccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC001459931887 1067496391 /nfs/dbraw/zinc/49/63/91/1067496391.db2.gz HNPGMEBBAQQFRI-NRFANRHFSA-N 0 1 452.599 4.873 20 0 JJADMN O=C(CN1CCC(CCCn2ccnc2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459931353 1067496415 /nfs/dbraw/zinc/49/64/15/1067496415.db2.gz JEBCNNOEUHXQJA-AREMUKBSSA-N 0 1 451.014 4.935 20 0 JJADMN O=C(CN1CCC(CCCn2ccnc2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001459931357 1067496508 /nfs/dbraw/zinc/49/65/08/1067496508.db2.gz JEBCNNOEUHXQJA-SANMLTNESA-N 0 1 451.014 4.935 20 0 JJADMN CC(C)CNC(=O)c1cccc(CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951803 1067504762 /nfs/dbraw/zinc/50/47/62/1067504762.db2.gz QTBQDYICMOHWOC-LADGPHEKSA-N 0 1 459.993 4.705 20 0 JJADMN Cc1ccc(F)c(N2CCC[C@H](N3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2=O)c1 ZINC001459953026 1067505408 /nfs/dbraw/zinc/50/54/08/1067505408.db2.gz NZCWMWVWDDWROH-NRFANRHFSA-N 0 1 459.606 4.743 20 0 JJADMN C[C@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999637 1067520996 /nfs/dbraw/zinc/52/09/96/1067520996.db2.gz SQENNBWDQPEOEN-FPTDNZKUSA-N 0 1 458.375 4.858 20 0 JJADMN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1 ZINC001460036777 1067535619 /nfs/dbraw/zinc/53/56/19/1067535619.db2.gz DJJZJWYLQBDBJT-UHFFFAOYSA-N 0 1 451.445 4.997 20 0 JJADMN O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1)C(F)(F)F ZINC001460037002 1067536105 /nfs/dbraw/zinc/53/61/05/1067536105.db2.gz FTSYFEBCJVPQSO-CTNGQTDRSA-N 0 1 478.536 4.526 20 0 JJADMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)c1 ZINC001460042697 1067537412 /nfs/dbraw/zinc/53/74/12/1067537412.db2.gz WMSYCRLXOVHMJL-UHFFFAOYSA-N 0 1 451.445 4.612 20 0 JJADMN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001460051805 1067539682 /nfs/dbraw/zinc/53/96/82/1067539682.db2.gz OXFUWAIIERAULZ-DEOSSOPVSA-N 0 1 451.611 4.595 20 0 JJADMN C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC001460063487 1067543366 /nfs/dbraw/zinc/54/33/66/1067543366.db2.gz HTHGVOXOYYDOQR-MRXNPFEDSA-N 0 1 454.464 4.583 20 0 JJADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077337 1067548126 /nfs/dbraw/zinc/54/81/26/1067548126.db2.gz APTQLFWSBHUPTQ-YADARESESA-N 0 1 456.652 4.792 20 0 JJADMN CC(C)c1ccc(CN(C(=O)CN[C@@](C)(CO)c2ccc(Br)cc2)C2CC2)cc1 ZINC001460090505 1067551810 /nfs/dbraw/zinc/55/18/10/1067551810.db2.gz PPRZMPTUEXQJPR-DEOSSOPVSA-N 0 1 459.428 4.561 20 0 JJADMN Cc1oc2ccccc2c1CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC001460092170 1067552271 /nfs/dbraw/zinc/55/22/71/1067552271.db2.gz GUVFKNLNEZCYDL-HNNXBMFYSA-N 0 1 456.384 4.825 20 0 JJADMN CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC001460097447 1067554503 /nfs/dbraw/zinc/55/45/03/1067554503.db2.gz VKIWODPGJPLRHJ-TYCQWZJGSA-N 0 1 456.428 4.894 20 0 JJADMN CCOC(=O)[C@H](CCc1ccccc1)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160034 1067567689 /nfs/dbraw/zinc/56/76/89/1067567689.db2.gz UJEPXXQBQNGEBZ-VXNXHJTFSA-N 0 1 458.643 4.910 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460171031 1067569615 /nfs/dbraw/zinc/56/96/15/1067569615.db2.gz ABQAWVZDGHZYRI-WIYYLYMNSA-N 0 1 456.583 4.673 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460171031 1067569620 /nfs/dbraw/zinc/56/96/20/1067569620.db2.gz ABQAWVZDGHZYRI-WIYYLYMNSA-N 0 1 456.583 4.673 20 0 JJADMN COC(=O)c1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180474 1067572319 /nfs/dbraw/zinc/57/23/19/1067572319.db2.gz OAPDHUYIVJYHKF-FGZHOGPDSA-N 0 1 456.970 4.654 20 0 JJADMN Cc1c(F)cccc1NC(=O)CCN1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460237355 1067587363 /nfs/dbraw/zinc/58/73/63/1067587363.db2.gz ADHLTSJKLQLMDC-PGRDOPGGSA-N 0 1 459.537 4.595 20 0 JJADMN COc1ccc([C@@H](O)CN(CC(=O)Nc2cccc(Cl)c2)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238401 1067587644 /nfs/dbraw/zinc/58/76/44/1067587644.db2.gz DGZVLDSVZACTKP-DFBJGRDBSA-N 0 1 452.982 4.954 20 0 JJADMN CCO[C@@H]1CCCC[C@H]1NCc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 ZINC001460237943 1067587756 /nfs/dbraw/zinc/58/77/56/1067587756.db2.gz GGYZDAJPPFTLRJ-RTBURBONSA-N 0 1 468.623 4.599 20 0 JJADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001460240528 1067589213 /nfs/dbraw/zinc/58/92/13/1067589213.db2.gz LTMXLYJYNHGKRD-DLBZAZTESA-N 0 1 456.562 4.622 20 0 JJADMN CC(C)(C)OC(=O)CC[C@H]1CCCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260978 1067593012 /nfs/dbraw/zinc/59/30/12/1067593012.db2.gz XLIBBJODNADTBE-APWZRJJASA-N 0 1 456.505 4.524 20 0 JJADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274266 1067595433 /nfs/dbraw/zinc/59/54/33/1067595433.db2.gz XCNRRTJEVQRXPP-HDAAZOAOSA-N 0 1 457.615 4.823 20 0 JJADMN COC(=O)c1cc(CN(Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C ZINC001460305364 1067603361 /nfs/dbraw/zinc/60/33/61/1067603361.db2.gz QRDMKORKQLDSTF-UHFFFAOYSA-N 0 1 453.583 4.578 20 0 JJADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460313789 1067605495 /nfs/dbraw/zinc/60/54/95/1067605495.db2.gz NGRZIEUYGYOWTH-AWEZNQCLSA-N 0 1 452.448 4.958 20 0 JJADMN Cc1ccc(C(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)c(Br)n1 ZINC001460324261 1067607989 /nfs/dbraw/zinc/60/79/89/1067607989.db2.gz IQOJRXLFKUMVDM-OAQYLSRUSA-N 0 1 458.444 4.958 20 0 JJADMN CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC001460331263 1067609838 /nfs/dbraw/zinc/60/98/38/1067609838.db2.gz AHYGXOFHVAVEDY-UHFFFAOYSA-N 0 1 458.647 4.632 20 0 JJADMN CC[C@@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)ccn1 ZINC001460346066 1067613433 /nfs/dbraw/zinc/61/34/33/1067613433.db2.gz HYJCFXRKXNEHLC-ATIYNZHBSA-N 0 1 458.606 4.961 20 0 JJADMN O=C(N[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460361276 1067618333 /nfs/dbraw/zinc/61/83/33/1067618333.db2.gz GMBKJUMYPGNPFJ-LPHOPBHVSA-N 0 1 465.422 4.656 20 0 JJADMN COc1ccc([C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460361933 1067618523 /nfs/dbraw/zinc/61/85/23/1067618523.db2.gz LVHOTKGIMZHWAW-HKUYNNGSSA-N 0 1 450.432 4.617 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@H](CN2CCS[C@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362418 1067618559 /nfs/dbraw/zinc/61/85/59/1067618559.db2.gz OWSONFACWFNPFA-RPBOFIJWSA-N 0 1 452.645 4.805 20 0 JJADMN Cc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1Br ZINC001460390085 1067624427 /nfs/dbraw/zinc/62/44/27/1067624427.db2.gz KYFLQZODDFAJTG-HKUYNNGSSA-N 0 1 473.308 4.933 20 0 JJADMN Cc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1Br ZINC001460390085 1067624433 /nfs/dbraw/zinc/62/44/33/1067624433.db2.gz KYFLQZODDFAJTG-HKUYNNGSSA-N 0 1 473.308 4.933 20 0 JJADMN C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@]3(C)Cc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC001460404139 1067627796 /nfs/dbraw/zinc/62/77/96/1067627796.db2.gz NEGRECBEWPAIFM-BVFVYWQFSA-N 0 1 456.030 4.989 20 0 JJADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460409510 1067629242 /nfs/dbraw/zinc/62/92/42/1067629242.db2.gz KOUJVBWMTHCXQC-LJQANCHMSA-N 0 1 450.023 4.946 20 0 JJADMN C[C@@H]1CCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460454739 1067637569 /nfs/dbraw/zinc/63/75/69/1067637569.db2.gz IZPRMXPDNKUEND-IRLDBZIGSA-N 0 1 479.621 4.871 20 0 JJADMN CCOC(=O)c1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482094 1067642792 /nfs/dbraw/zinc/64/27/92/1067642792.db2.gz SLAYXNWBJGLWNT-HOTGVXAUSA-N 0 1 456.608 4.806 20 0 JJADMN CCOC(=O)c1c(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482084 1067642858 /nfs/dbraw/zinc/64/28/58/1067642858.db2.gz SLAYXNWBJGLWNT-CVEARBPZSA-N 0 1 456.608 4.806 20 0 JJADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN[C@H](c3ccccn3)C3CCC3)cc2)cc1 ZINC001460487845 1067644134 /nfs/dbraw/zinc/64/41/34/1067644134.db2.gz YXBQKIOERSSWFS-SANMLTNESA-N 0 1 458.562 4.802 20 0 JJADMN Cc1cccc(C[C@@]2(C)CCCN2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC001460563724 1067656519 /nfs/dbraw/zinc/65/65/19/1067656519.db2.gz ZHQSTQHKTUIJCX-XUZZJYLKSA-N 0 1 459.512 4.698 20 0 JJADMN Cc1cccc(C[C@]2(C)CCCN2CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC001460563723 1067656573 /nfs/dbraw/zinc/65/65/73/1067656573.db2.gz ZHQSTQHKTUIJCX-URXFXBBRSA-N 0 1 459.512 4.698 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC001460566629 1067657701 /nfs/dbraw/zinc/65/77/01/1067657701.db2.gz LAEQQGHVYSJMTI-PWIZWCRZSA-N 0 1 453.421 4.594 20 0 JJADMN CC1(C)[C@@H](c2cccc(F)c2)CCN1CC(=O)Nc1cccc(I)c1 ZINC001460602769 1067667521 /nfs/dbraw/zinc/66/75/21/1067667521.db2.gz JKTLQGHPDAXTQJ-GOSISDBHSA-N 0 1 452.311 4.637 20 0 JJADMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001460618135 1067674216 /nfs/dbraw/zinc/67/42/16/1067674216.db2.gz NFHTYMHLSQREQY-UHFFFAOYSA-N 0 1 454.882 4.761 20 0 JJADMN C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001460625004 1067676879 /nfs/dbraw/zinc/67/68/79/1067676879.db2.gz BJWQINXNOGIKQU-NEQSPQRTSA-N 0 1 452.782 4.621 20 0 JJADMN O=C(CN1CCC(Cc2ccccc2Cl)CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC001460644887 1067684026 /nfs/dbraw/zinc/68/40/26/1067684026.db2.gz UXOWJBNMVIFCBG-UHFFFAOYSA-N 0 1 454.920 4.852 20 0 JJADMN COc1cc(-c2noc(CN3CCC[C@]3(C)Cc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC001460646777 1067684632 /nfs/dbraw/zinc/68/46/32/1067684632.db2.gz RRULBWVTOGIERB-XMMPIXPASA-N 0 1 459.493 4.638 20 0 JJADMN CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460660378 1067691834 /nfs/dbraw/zinc/69/18/34/1067691834.db2.gz OBEOREKKOYVINF-XMMPIXPASA-N 0 1 457.574 4.826 20 0 JJADMN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001460680165 1067699205 /nfs/dbraw/zinc/69/92/05/1067699205.db2.gz SIHYISLNOKNDKJ-JOCHJYFZSA-N 0 1 457.537 4.907 20 0 JJADMN CCc1ccc(CN2CCN(Cc3ccc(I)c(Cl)c3)CC2)cc1 ZINC001460698615 1067704197 /nfs/dbraw/zinc/70/41/97/1067704197.db2.gz FNEGATNRMDGKJW-UHFFFAOYSA-N 0 1 454.783 4.825 20 0 JJADMN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(C[C@@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713938 1067707203 /nfs/dbraw/zinc/70/72/03/1067707203.db2.gz USFFNROARTWBHV-CRAIPNDOSA-N 0 1 453.004 4.922 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747898 1067715121 /nfs/dbraw/zinc/71/51/21/1067715121.db2.gz XFJPOJDNELCXQP-FOIQADDNSA-N 0 1 452.473 4.617 20 0 JJADMN C[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460775660 1067721051 /nfs/dbraw/zinc/72/10/51/1067721051.db2.gz RBDFWNUWEUFIKQ-ZIAGYGMSSA-N 0 1 478.802 4.927 20 0 JJADMN Cc1cc(C)c(NC(=O)CCCN2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001460783558 1067723018 /nfs/dbraw/zinc/72/30/18/1067723018.db2.gz CFXSSUDNPWGKKZ-QZTJIDSGSA-N 0 1 457.537 4.718 20 0 JJADMN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC001460800027 1067726569 /nfs/dbraw/zinc/72/65/69/1067726569.db2.gz HEXYYFSZPSVWMR-SIKLNZKXSA-N 0 1 452.364 4.724 20 0 JJADMN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN[C@@]1(C)CCOc2ccccc21 ZINC001460826050 1067730283 /nfs/dbraw/zinc/73/02/83/1067730283.db2.gz WWRVQXUEMIWHBC-VWLOTQADSA-N 0 1 450.560 4.818 20 0 JJADMN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN[C@]1(C)CCOc2ccccc21 ZINC001460826046 1067730325 /nfs/dbraw/zinc/73/03/25/1067730325.db2.gz WWRVQXUEMIWHBC-RUZDIDTESA-N 0 1 450.560 4.818 20 0 JJADMN CC(C)(C)OC(=O)NC1CCC2(CC1)CN(CCc1cccc(OC(F)(F)F)c1)CCO2 ZINC001460840336 1067732715 /nfs/dbraw/zinc/73/27/15/1067732715.db2.gz FBQNXPUHCHZWQW-UHFFFAOYSA-N 0 1 458.521 4.666 20 0 JJADMN CC[C@]1(C(=O)OC(C)(C)C)CCCN(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871519 1067739530 /nfs/dbraw/zinc/73/95/30/1067739530.db2.gz PEXXLDXAUULOTN-ZHRRBRCNSA-N 0 1 458.521 4.596 20 0 JJADMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@@H]1C ZINC001460936910 1067750791 /nfs/dbraw/zinc/75/07/91/1067750791.db2.gz HTWIYIBXTSPYQT-XHYPOGGOSA-N 0 1 454.636 4.520 20 0 JJADMN COCC[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c2ccccc21 ZINC001460949022 1067752238 /nfs/dbraw/zinc/75/22/38/1067752238.db2.gz GZUAKOFTHQCRRR-CPJSRVTESA-N 0 1 456.030 4.624 20 0 JJADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983210 1067756917 /nfs/dbraw/zinc/75/69/17/1067756917.db2.gz UZHOINNSUQTIDM-SJORKVTESA-N 0 1 451.558 4.699 20 0 JJADMN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNC[C@@H](O)COc1ccccc1 ZINC001461019221 1067763050 /nfs/dbraw/zinc/76/30/50/1067763050.db2.gz NWDJYHTVKVNZFQ-QGZVFWFLSA-N 0 1 454.785 4.730 20 0 JJADMN COc1ccc(CCC(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1Br ZINC001461056994 1067771819 /nfs/dbraw/zinc/77/18/19/1067771819.db2.gz BIHNTCWVHJJFDZ-UHFFFAOYSA-N 0 1 452.418 4.642 20 0 JJADMN O=C1CCc2cc(OC[C@H](O)CNCc3c(Cl)cccc3Oc3ccccc3)ccc2N1 ZINC001461092672 1067780214 /nfs/dbraw/zinc/78/02/14/1067780214.db2.gz JWTJRYDTIUWWRG-GOSISDBHSA-N 0 1 452.938 4.547 20 0 JJADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001461097605 1067781377 /nfs/dbraw/zinc/78/13/77/1067781377.db2.gz UXYSWPBASWUTCL-QGZVFWFLSA-N 0 1 457.855 4.522 20 0 JJADMN FC(F)(F)c1ccc(Cn2cc(CNCc3cccc(COC4CCOCC4)c3)cn2)cc1 ZINC001461144143 1067788755 /nfs/dbraw/zinc/78/87/55/1067788755.db2.gz COZZFOSHJJSFCT-UHFFFAOYSA-N 0 1 459.512 4.936 20 0 JJADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(C)c(OCc3ccccc3C)c(C)c2)c1 ZINC001461148344 1067789411 /nfs/dbraw/zinc/78/94/11/1067789411.db2.gz JIDGBBOSXNKCFI-NRFANRHFSA-N 0 1 452.620 4.950 20 0 JJADMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001461225135 1067803862 /nfs/dbraw/zinc/80/38/62/1067803862.db2.gz MLDUXNVDNAAPSH-SIKLNZKXSA-N 0 1 457.571 4.558 20 0 JJADMN CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2cccc(OC3CCCC3)c2)c1 ZINC001461234606 1067805766 /nfs/dbraw/zinc/80/57/66/1067805766.db2.gz SSTKNSQLJPHHOR-UHFFFAOYSA-N 0 1 452.576 4.889 20 0 JJADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC001461260397 1067812975 /nfs/dbraw/zinc/81/29/75/1067812975.db2.gz GFYVEUOSSULTKS-BBRMVZONSA-N 0 1 450.473 4.617 20 0 JJADMN C[C@]1(NC(=O)c2cnc(-c3ccccc3Br)s2)CCN(Cc2ccccc2)C1 ZINC001461276300 1067816235 /nfs/dbraw/zinc/81/62/35/1067816235.db2.gz ZWYWKAOFLSYRKV-QFIPXVFZSA-N 0 1 456.409 4.967 20 0 JJADMN CCOc1ccc([C@@H](C)NC(=O)CCCNCc2c(F)cc(Br)cc2F)cc1 ZINC001461285145 1067818055 /nfs/dbraw/zinc/81/80/55/1067818055.db2.gz XREIGNBOCFXGTK-CQSZACIVSA-N 0 1 455.343 4.873 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001461307002 1067824568 /nfs/dbraw/zinc/82/45/68/1067824568.db2.gz HJSNQINRAHZXMH-DKKFBQAASA-N 0 1 450.549 4.676 20 0 JJADMN COC(=O)[C@]1(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001461308346 1067825295 /nfs/dbraw/zinc/82/52/95/1067825295.db2.gz XFKJWNIJKSKHET-BVAGGSTKSA-N 0 1 457.014 4.794 20 0 JJADMN COc1cccc(COc2cccc(Cl)c2CNc2ccc(N3CCN(C)CC3)nc2)c1 ZINC001461331056 1067830951 /nfs/dbraw/zinc/83/09/51/1067830951.db2.gz JPGHNTMSCJYWTD-UHFFFAOYSA-N 0 1 452.986 4.687 20 0 JJADMN O=S(=O)(NCCNCc1cc(F)ccc1Oc1ccc(F)cc1Cl)c1cccs1 ZINC001461360120 1067838489 /nfs/dbraw/zinc/83/84/89/1067838489.db2.gz MEUYBECBRBDHTH-UHFFFAOYSA-N 0 1 458.939 4.540 20 0 JJADMN O=S1(=O)CCCC[C@@H]1CNCc1ccccc1Oc1ccc(Cl)cc1Br ZINC001461375660 1067841003 /nfs/dbraw/zinc/84/10/03/1067841003.db2.gz BGOVAKISNIBCBN-MRXNPFEDSA-N 0 1 458.805 4.952 20 0 JJADMN Brc1csc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)c1 ZINC001461407542 1067848251 /nfs/dbraw/zinc/84/82/51/1067848251.db2.gz VBWGNCZAUMQJTL-UHFFFAOYSA-N 0 1 457.441 4.882 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461421007 1067852859 /nfs/dbraw/zinc/85/28/59/1067852859.db2.gz UXAVUBISYMBUOI-KKSFZXQISA-N 0 1 462.418 4.795 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cn1 ZINC001461438305 1067856788 /nfs/dbraw/zinc/85/67/88/1067856788.db2.gz WTHSVGMQKQYQDM-UHFFFAOYSA-N 0 1 454.571 4.969 20 0 JJADMN CCOc1c(Br)cc(CNc2ccc(Cl)c(CN(C)CCO)c2)cc1OC ZINC001461460467 1067862178 /nfs/dbraw/zinc/86/21/78/1067862178.db2.gz PQKRQOAYXKNWAP-UHFFFAOYSA-N 0 1 457.796 4.546 20 0 JJADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NCc2cccc(OC(F)F)c2)C1=O ZINC001461496608 1067876398 /nfs/dbraw/zinc/87/63/98/1067876398.db2.gz XMIWDNDKQMCUTI-GOSISDBHSA-N 0 1 453.327 4.953 20 0 JJADMN Cc1cc(CNC(=O)C(F)(F)F)cc(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC001461505203 1067878120 /nfs/dbraw/zinc/87/81/20/1067878120.db2.gz MYEPRYVLFWVTAJ-LJQANCHMSA-N 0 1 456.892 4.997 20 0 JJADMN COc1cc(CNCc2ccc(C)c(C)n2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC001461568072 1067890678 /nfs/dbraw/zinc/89/06/78/1067890678.db2.gz XSJGLXBLMBKZLN-UHFFFAOYSA-N 0 1 457.933 4.807 20 0 JJADMN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461593366 1067896296 /nfs/dbraw/zinc/89/62/96/1067896296.db2.gz AHGXZHKOMQEPHU-KNQAVFIVSA-N 0 1 459.428 4.894 20 0 JJADMN CC(C)[C@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CCN1Cc1ccccc1 ZINC001461597252 1067897594 /nfs/dbraw/zinc/89/75/94/1067897594.db2.gz IXLXOAHFVIDEBN-RBZQAINGSA-N 0 1 457.659 4.829 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1Cc1ccccc1 ZINC001461598885 1067898455 /nfs/dbraw/zinc/89/84/55/1067898455.db2.gz NGQUHMAQUUGESN-DEOSSOPVSA-N 0 1 451.611 4.945 20 0 JJADMN COC[C@H](NCc1cnc2c(C)cc(Br)cn12)c1cccc(Br)c1 ZINC001461702673 1067921883 /nfs/dbraw/zinc/92/18/83/1067921883.db2.gz LLFHFEUTFFRJHD-KRWDZBQOSA-N 0 1 453.178 4.645 20 0 JJADMN O=C1Nc2ccc(Br)cc2CC[C@H]1NCc1ccc(Cl)c(Br)c1 ZINC001461707663 1067922750 /nfs/dbraw/zinc/92/27/50/1067922750.db2.gz BYFDFGPHUWPIOV-MRXNPFEDSA-N 0 1 458.581 4.908 20 0 JJADMN O=C(CCc1cc(C(F)(F)F)ccc1Br)NC[C@H]1CCN1Cc1ccccc1 ZINC001461719720 1067924858 /nfs/dbraw/zinc/92/48/58/1067924858.db2.gz STTZQSGBUIUHHG-GOSISDBHSA-N 0 1 455.318 4.791 20 0 JJADMN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@@H]1CCC2(CCOCC2)CO1 ZINC001461729817 1067926953 /nfs/dbraw/zinc/92/69/53/1067926953.db2.gz RTTBWJMJJAMJFU-SFHVURJKSA-N 0 1 457.924 4.918 20 0 JJADMN O=C(Nc1nc2ccc(I)cc2[nH]1)c1occc1COc1ccccc1 ZINC001461769713 1067933361 /nfs/dbraw/zinc/93/33/61/1067933361.db2.gz FBUCJXLWLBDHRB-UHFFFAOYSA-N 0 1 459.243 4.592 20 0 JJADMN O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1nc2ccc(I)cc2[nH]1 ZINC001461768098 1067933390 /nfs/dbraw/zinc/93/33/90/1067933390.db2.gz BUIAAZFXZMOKJO-UHFFFAOYSA-N 0 1 456.287 4.734 20 0 JJADMN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(Br)cc1SC(C)C ZINC001461782814 1067936504 /nfs/dbraw/zinc/93/65/04/1067936504.db2.gz PSDJTASMIWPRNI-IAGOWNOFSA-N 0 1 459.450 4.674 20 0 JJADMN COC(=O)c1cc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)[nH]c1C ZINC001461854915 1067948181 /nfs/dbraw/zinc/94/81/81/1067948181.db2.gz SHHCXGNULOKRRP-XMMPIXPASA-N 0 1 452.599 4.798 20 0 JJADMN COc1cccc(CN(Cc2cc(OC)c(Br)cc2F)C2CCC(O)CC2)c1 ZINC001461856026 1067948592 /nfs/dbraw/zinc/94/85/92/1067948592.db2.gz WYUFNDJCQQGMDW-UHFFFAOYSA-N 0 1 452.364 4.911 20 0 JJADMN COc1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1C(C)(C)C ZINC001461905228 1067958812 /nfs/dbraw/zinc/95/88/12/1067958812.db2.gz WIFIMTILYQEEMX-QGZVFWFLSA-N 0 1 450.579 4.807 20 0 JJADMN Cc1cc(Br)c(CN2CCN(CCc3cccs3)CC2)cc1Br ZINC001461921059 1067961500 /nfs/dbraw/zinc/96/15/00/1067961500.db2.gz SOFFGEYOXZRYLC-UHFFFAOYSA-N 0 1 458.263 4.942 20 0 JJADMN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN(C)Cc2cccc(Cl)c2Cl)cnn1C ZINC001461930764 1067963205 /nfs/dbraw/zinc/96/32/05/1067963205.db2.gz YCGZUHVGNXHADQ-INIZCTEOSA-N 0 1 455.430 4.851 20 0 JJADMN Cc1cc(C2OCCO2)c(C)cc1CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001461940978 1067965304 /nfs/dbraw/zinc/96/53/04/1067965304.db2.gz IOXUPWURFRAYIS-UHFFFAOYSA-N 0 1 450.501 4.565 20 0 JJADMN FC(F)Sc1ccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001461971020 1067971796 /nfs/dbraw/zinc/97/17/96/1067971796.db2.gz MQRJYKPRIJRATG-UHFFFAOYSA-N 0 1 450.580 4.863 20 0 JJADMN CCC(CC)(CNCc1oc(Br)cc1C(=O)OC)c1ccc(OC)c(OC)c1 ZINC001462047625 1067989406 /nfs/dbraw/zinc/98/94/06/1067989406.db2.gz BBUHYFSESGZCKU-UHFFFAOYSA-N 0 1 454.361 4.694 20 0 JJADMN CCOC(=O)[C@@](C)(CNCc1cc(Cl)ccc1I)c1ccccc1 ZINC001462097052 1068001577 /nfs/dbraw/zinc/00/15/77/1068001577.db2.gz SCNYIBJPOLMDJZ-IBGZPJMESA-N 0 1 457.739 4.555 20 0 JJADMN COC(=O)c1ccc(COc2ccc(CN3CCC(c4ncc(C)s4)CC3)cc2OC)o1 ZINC001462099901 1068002184 /nfs/dbraw/zinc/00/21/84/1068002184.db2.gz YNOFLBSPUUEGKF-UHFFFAOYSA-N 0 1 456.564 4.798 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCO[C@@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462167003 1068020825 /nfs/dbraw/zinc/02/08/25/1068020825.db2.gz KWKALJRRYWGFLM-FGZHOGPDSA-N 0 1 450.501 4.697 20 0 JJADMN COC(=O)c1ccccc1-c1ccc(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267960 1068040961 /nfs/dbraw/zinc/04/09/61/1068040961.db2.gz NCQBTNXMFOLEMO-GAJHUEQPSA-N 0 1 450.510 4.714 20 0 JJADMN COC(=O)c1ccccc1-c1ccc(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267965 1068041018 /nfs/dbraw/zinc/04/10/18/1068041018.db2.gz NCQBTNXMFOLEMO-SBUREZEXSA-N 0 1 450.510 4.714 20 0 JJADMN CC(=O)N(c1nc(CNCc2n[nH]c(C(C)(C)C)n2)cs1)c1cccc(C(F)(F)F)c1 ZINC001462330420 1068052684 /nfs/dbraw/zinc/05/26/84/1068052684.db2.gz CKWCMCWKGBWFHL-UHFFFAOYSA-N 0 1 452.506 4.552 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC001462337588 1068053941 /nfs/dbraw/zinc/05/39/41/1068053941.db2.gz BZJHWXOLBNAXIC-VQTJNVASSA-N 0 1 453.421 4.733 20 0 JJADMN COc1ccc(CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC1CC1 ZINC001462341526 1068055083 /nfs/dbraw/zinc/05/50/83/1068055083.db2.gz XFTYAQUKDVMHBP-RBBKRZOGSA-N 0 1 456.558 4.868 20 0 JJADMN CCN1CCN(c2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2F)CC1 ZINC001462357369 1068058890 /nfs/dbraw/zinc/05/88/90/1068058890.db2.gz JHGVHBLFGPBKMT-UHFFFAOYSA-N 0 1 452.555 4.534 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2sc(CN3CCC(C)(C(=O)OC(C)(C)C)CC3)cc2C1 ZINC001462366302 1068061121 /nfs/dbraw/zinc/06/11/21/1068061121.db2.gz HLOGGXNDPDMSLQ-UHFFFAOYSA-N 0 1 450.645 4.985 20 0 JJADMN Cc1ccc(-c2ncc(CN3C[C@@H](c4cnn(C)c4)[C@H](NC(=O)OC(C)(C)C)C3)s2)cc1C ZINC001462368770 1068061679 /nfs/dbraw/zinc/06/16/79/1068061679.db2.gz BQFVJRCCNMMNSI-FCHUYYIVSA-N 0 1 467.639 4.653 20 0 JJADMN COc1cc(OC)c(C2CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)c(OC)c1 ZINC001462455235 1068078314 /nfs/dbraw/zinc/07/83/14/1068078314.db2.gz XYEDYCBCJZCADB-UHFFFAOYSA-N 0 1 450.620 4.927 20 0 JJADMN COc1ccc(Cc2nc3ccc(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)cc3[nH]2)cc1 ZINC001462457061 1068078666 /nfs/dbraw/zinc/07/86/66/1068078666.db2.gz GVNRLFCRGWWTJY-QFIPXVFZSA-N 0 1 450.583 4.678 20 0 JJADMN COc1ccc(Cc2nc3ccc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3[nH]2)cc1 ZINC001462460948 1068079453 /nfs/dbraw/zinc/07/94/53/1068079453.db2.gz YXODMWQRFGTGPH-NRFANRHFSA-N 0 1 450.539 4.500 20 0 JJADMN CN(C)c1nc(CNC[C@@H]2C[C@H]2C2CCOCC2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462512029 1068088522 /nfs/dbraw/zinc/08/85/22/1068088522.db2.gz CKSFQWLALFTUAT-YJBOKZPZSA-N 0 1 467.839 4.507 20 0 JJADMN CN(C)c1nc(CN2CC[C@H]3CSC[C@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521926 1068091107 /nfs/dbraw/zinc/09/11/07/1068091107.db2.gz KEZGXWVEIPKEEB-UONOGXRCSA-N 0 1 455.853 4.539 20 0 JJADMN CCN1CCN(c2ccc(NCc3csc(N(C(C)=O)c4ccccc4)n3)cc2F)CC1 ZINC001462523847 1068091151 /nfs/dbraw/zinc/09/11/51/1068091151.db2.gz TUBGUVYYMUQARG-UHFFFAOYSA-N 0 1 453.587 4.721 20 0 JJADMN COC(=O)C1(CCCCNCc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)CCC1 ZINC001462631642 1068118350 /nfs/dbraw/zinc/11/83/50/1068118350.db2.gz AQAUZMDVJKMJDR-UHFFFAOYSA-N 0 1 451.539 4.709 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H]1CC2(CO1)CCN(Cc1ccc(Sc3ccccn3)o1)CC2 ZINC001462632386 1068118856 /nfs/dbraw/zinc/11/88/56/1068118856.db2.gz JIIUBTYGXNSZEH-LJQANCHMSA-N 0 1 459.612 4.722 20 0 JJADMN COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC001462716339 1068140695 /nfs/dbraw/zinc/14/06/95/1068140695.db2.gz XBSKOGBXZAMEGP-VWLOTQADSA-N 0 1 456.542 4.579 20 0 JJADMN O=S(=O)(NCC(c1ccccc1)c1ccccc1)c1cc(F)c(Br)cc1F ZINC001462724839 1068144004 /nfs/dbraw/zinc/14/40/04/1068144004.db2.gz QFFABFHKSADCGC-UHFFFAOYSA-N 0 1 452.320 4.838 20 0 JJADMN O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734520 1068147668 /nfs/dbraw/zinc/14/76/68/1068147668.db2.gz RKXRTRAALQLONC-CHAGWJKLSA-N 0 1 452.907 4.672 20 0 JJADMN CCN(CC)[C@@H](CNS(=O)(=O)c1cc(Cl)c(Br)cc1C)c1ccccc1 ZINC001462742792 1068151902 /nfs/dbraw/zinc/15/19/02/1068151902.db2.gz VGORGACBAIQZFL-SFHVURJKSA-N 0 1 459.837 4.772 20 0 JJADMN O=S(=O)(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)s1 ZINC001462803939 1068171694 /nfs/dbraw/zinc/17/16/94/1068171694.db2.gz GDSIUTBLLYTPLD-ITGUQSILSA-N 0 1 458.449 4.998 20 0 JJADMN Cc1cc(Br)ccc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC001462890613 1068204982 /nfs/dbraw/zinc/20/49/82/1068204982.db2.gz WTEWIMNGYQWUQU-HXUWFJFHSA-N 0 1 451.430 4.509 20 0 JJADMN CC[C@@H](C)Oc1cccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462912966 1068212658 /nfs/dbraw/zinc/21/26/58/1068212658.db2.gz QYKKILBYKGLWFX-QGZVFWFLSA-N 0 1 458.546 4.635 20 0 JJADMN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)N2CCCC2)cc1 ZINC001462956315 1068229001 /nfs/dbraw/zinc/22/90/01/1068229001.db2.gz PXOPYMBOPUPOFF-GOSISDBHSA-N 0 1 457.821 4.526 20 0 JJADMN C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001463120239 1068293664 /nfs/dbraw/zinc/29/36/64/1068293664.db2.gz IVOSOPMCVKQMOA-QFIPXVFZSA-N 0 1 456.652 4.931 20 0 JJADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC001463251244 1068335302 /nfs/dbraw/zinc/33/53/02/1068335302.db2.gz BMMKQLJYAYVZRO-UHFFFAOYSA-N 0 1 458.249 4.641 20 0 JJADMN CN1CCN(c2ccc(NC(=O)/C=C\c3ccccc3OC(F)(F)F)c3cnccc32)CC1 ZINC001463429317 1068394278 /nfs/dbraw/zinc/39/42/78/1068394278.db2.gz IWOYRYIGTGRVJC-TWGQIWQCSA-N 0 1 456.468 4.537 20 0 JJADMN CN1CCN(c2ccc(NC(=O)CCOc3ccc(Cl)c(Cl)c3)c3cnccc32)CC1 ZINC001463438602 1068397768 /nfs/dbraw/zinc/39/77/68/1068397768.db2.gz YNPOPMVZLVVVSG-UHFFFAOYSA-N 0 1 459.377 4.701 20 0 JJADMN C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)C[C@@H]1NC(=O)C(F)(F)F ZINC001463467794 1068410832 /nfs/dbraw/zinc/41/08/32/1068410832.db2.gz NCGBWQTWWWTBSU-BEFAXECRSA-N 0 1 463.500 4.701 20 0 JJADMN O=S(=O)(N[C@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001463487623 1068417124 /nfs/dbraw/zinc/41/71/24/1068417124.db2.gz CMVWYOVBSFMUAH-SCLBCKFNSA-N 0 1 455.926 4.545 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2c(Cl)cc(F)cc2Br)N2CCCC2)c1 ZINC001463557773 1068440814 /nfs/dbraw/zinc/44/08/14/1068440814.db2.gz NOKOVDBENCVZHB-SFHVURJKSA-N 0 1 455.755 4.817 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2c(Cl)cc(F)cc2Br)N2CCCC2)c1 ZINC001463557771 1068441007 /nfs/dbraw/zinc/44/10/07/1068441007.db2.gz NOKOVDBENCVZHB-GOSISDBHSA-N 0 1 455.755 4.817 20 0 JJADMN CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561591 1068444233 /nfs/dbraw/zinc/44/42/33/1068444233.db2.gz QIYSDEWSKNIMGA-SFHVURJKSA-N 0 1 456.395 4.606 20 0 JJADMN COCCC[C@H](Cc1ccccc1)NS(=O)(=O)c1oc2ccccc2c1Br ZINC001463650772 1068480959 /nfs/dbraw/zinc/48/09/59/1068480959.db2.gz OPKHTYNQAHUJJS-MRXNPFEDSA-N 0 1 452.370 4.512 20 0 JJADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653493 1068482333 /nfs/dbraw/zinc/48/23/33/1068482333.db2.gz XYSJUJWKWBLYNF-MNOVXSKESA-N 0 1 459.519 4.500 20 0 JJADMN COc1ccc([C@H](CNC(=O)c2ccc(Nc3nccs3)cc2F)N2CCCCC2)cc1 ZINC001463661940 1068486305 /nfs/dbraw/zinc/48/63/05/1068486305.db2.gz VCEMBDRQZVVVLG-QFIPXVFZSA-N 0 1 454.571 4.991 20 0 JJADMN CCCN(C)[C@@H](CNS(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(Cl)cc1 ZINC001463678404 1068491074 /nfs/dbraw/zinc/49/10/74/1068491074.db2.gz XOZOZIRZPYUBGB-IBGZPJMESA-N 0 1 459.837 4.772 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)ccc2OC)cc1 ZINC001463697879 1068497907 /nfs/dbraw/zinc/49/79/07/1068497907.db2.gz CQVUMCJYPNACKZ-ORYQWCPZSA-N 0 1 458.580 4.660 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(C)c3F)ccc2OC)cc1 ZINC001463698630 1068497932 /nfs/dbraw/zinc/49/79/32/1068497932.db2.gz HJTKCWFOYKFQKJ-UHFFFAOYSA-N 0 1 458.511 4.595 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C3CCC3)C3CCC3)ccc2OC)cc1 ZINC001463700147 1068498600 /nfs/dbraw/zinc/49/86/00/1068498600.db2.gz PVFNONZKAHJJLZ-UHFFFAOYSA-N 0 1 458.580 4.660 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)ccc2OC)cc1 ZINC001463699573 1068498699 /nfs/dbraw/zinc/49/86/99/1068498699.db2.gz MRGHCLSNGHSBFV-BCDXTJNWSA-N 0 1 458.580 4.660 20 0 JJADMN O=S(=O)(N[C@@H](c1ccccc1)C(F)F)c1csc(-c2cccc(Br)c2)n1 ZINC001463746041 1068510962 /nfs/dbraw/zinc/51/09/62/1068510962.db2.gz DPWRCYFSVNDVIO-HNNXBMFYSA-N 0 1 459.337 4.857 20 0 JJADMN COc1cccc([C@H](CNC(=O)CCCSc2ccc(Br)cc2)N(C)C)c1 ZINC001463760986 1068515791 /nfs/dbraw/zinc/51/57/91/1068515791.db2.gz BUDBEPHYBZVAJX-FQEVSTJZSA-N 0 1 451.430 4.749 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)N(C)C)c1 ZINC001463770493 1068519238 /nfs/dbraw/zinc/51/92/38/1068519238.db2.gz QHSLBYMMUSYHFG-HHHXNRCGSA-N 0 1 454.574 4.889 20 0 JJADMN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2C1 ZINC001463773223 1068520408 /nfs/dbraw/zinc/52/04/08/1068520408.db2.gz BCEBQEQJUUSGJT-NHCUHLMSSA-N 0 1 451.655 4.863 20 0 JJADMN CC(C)c1nc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1F ZINC001463792896 1068525719 /nfs/dbraw/zinc/52/57/19/1068525719.db2.gz AGOBSHZDWLLFCF-UHFFFAOYSA-N 0 1 455.965 4.578 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001463797528 1068528095 /nfs/dbraw/zinc/52/80/95/1068528095.db2.gz YKUVMGDWXSXPEV-LEWJYISDSA-N 0 1 450.023 4.504 20 0 JJADMN CCN1C(=O)C[C@H](C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)[C@@H]1c1cccc(C)c1 ZINC001463832847 1068540537 /nfs/dbraw/zinc/54/05/37/1068540537.db2.gz AZPPZKIKXNDHMX-PWWKTKHKSA-N 0 1 454.014 4.511 20 0 JJADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001463839348 1068543593 /nfs/dbraw/zinc/54/35/93/1068543593.db2.gz MIAZISIJQBVYGF-WTIAFYNJSA-N 0 1 451.577 4.940 20 0 JJADMN Cc1ccc(CN2CCCN(C(=O)c3cc(-c4cccc(Br)c4)no3)CC2)cc1 ZINC001463908242 1068561789 /nfs/dbraw/zinc/56/17/89/1068561789.db2.gz QIRWXSGYUPNFCA-UHFFFAOYSA-N 0 1 454.368 4.761 20 0 JJADMN CCN(CC)[C@H](CNC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC001463913398 1068563401 /nfs/dbraw/zinc/56/34/01/1068563401.db2.gz JBMKQNCZJBNSBT-WAOWUJCRSA-N 0 1 452.039 4.923 20 0 JJADMN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c(N)c1F ZINC001463966049 1068577242 /nfs/dbraw/zinc/57/72/42/1068577242.db2.gz OHPUOEKKMMYOQS-FQEVSTJZSA-N 0 1 458.415 4.831 20 0 JJADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC001464011919 1068588108 /nfs/dbraw/zinc/58/81/08/1068588108.db2.gz UUEYJVQVNYKYLZ-WBVHZDCISA-N 0 1 460.905 4.544 20 0 JJADMN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCCCN1CCN(c2ccccc2)CC1 ZINC001464094234 1068612720 /nfs/dbraw/zinc/61/27/20/1068612720.db2.gz XTLOFEGDYBXGMX-HEHNFIMWSA-N 0 1 451.920 4.614 20 0 JJADMN CC[C@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)N1CCc2ccccc2C1 ZINC001464099787 1068615470 /nfs/dbraw/zinc/61/54/70/1068615470.db2.gz LHRBOVVTWNZFFC-OAQYLSRUSA-N 0 1 456.030 4.569 20 0 JJADMN Cc1cc(CCC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1Br ZINC001464117901 1068620523 /nfs/dbraw/zinc/62/05/23/1068620523.db2.gz BIASMMACAWIXCJ-OALUTQOASA-N 0 1 459.428 4.616 20 0 JJADMN Cc1ccc(CCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(Br)c1 ZINC001464121659 1068622359 /nfs/dbraw/zinc/62/23/59/1068622359.db2.gz MVUSWLOBCBEGQO-KDURUIRLSA-N 0 1 459.428 4.616 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C[C@H](C)O1 ZINC001464122177 1068622488 /nfs/dbraw/zinc/62/24/88/1068622488.db2.gz RCULXXQJLAKBNP-HDICACEKSA-N 0 1 459.512 4.743 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CN(Cc3ccccc3)c3ccccc3)cc2)C[C@@H](C)O1 ZINC001464125105 1068624338 /nfs/dbraw/zinc/62/43/38/1068624338.db2.gz YSCVWPRPUKHHFR-DNQXCXABSA-N 0 1 457.618 4.619 20 0 JJADMN Cc1c(C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)n[nH]c1C(F)(F)F ZINC001464131472 1068627649 /nfs/dbraw/zinc/62/76/49/1068627649.db2.gz CXDSNBHSXWMHOD-UHFFFAOYSA-N 0 1 457.500 4.620 20 0 JJADMN COc1ccc(/C=C\C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)cc1O ZINC001464135808 1068629372 /nfs/dbraw/zinc/62/93/72/1068629372.db2.gz ZPBXZVLMEVCVLB-LCYFTJDESA-N 0 1 457.574 4.683 20 0 JJADMN CC[C@H](Cc1cn(C)c2ccccc12)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC001464203760 1068655589 /nfs/dbraw/zinc/65/55/89/1068655589.db2.gz PHPOSYZHDBGRBH-CYBMUJFWSA-N 0 1 457.340 4.519 20 0 JJADMN O=C(NCc1cc2ccccc2o1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001464222594 1068663781 /nfs/dbraw/zinc/66/37/81/1068663781.db2.gz SJHNVVHDZRYCGL-UHFFFAOYSA-N 0 1 456.907 4.523 20 0 JJADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1cc(Cl)nc(C2CC2)c1 ZINC001464223620 1068664406 /nfs/dbraw/zinc/66/44/06/1068664406.db2.gz GRKMWBPMQLNCQJ-UHFFFAOYSA-N 0 1 451.932 4.866 20 0 JJADMN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001464223441 1068664452 /nfs/dbraw/zinc/66/44/52/1068664452.db2.gz FBOIRSDLSFCFLE-QGZVFWFLSA-N 0 1 452.504 4.623 20 0 JJADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001464227616 1068665690 /nfs/dbraw/zinc/66/56/90/1068665690.db2.gz PJNZPLISTFXGLQ-OLZOCXBDSA-N 0 1 452.479 4.708 20 0 JJADMN CN(Cc1cc(Br)cs1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC001464227324 1068665724 /nfs/dbraw/zinc/66/57/24/1068665724.db2.gz AMOUJMCFRQANRC-UHFFFAOYSA-N 0 1 455.175 4.935 20 0 JJADMN Cc1c2ccccc2c(=O)[nH]c1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001464231290 1068667075 /nfs/dbraw/zinc/66/70/75/1068667075.db2.gz UZJBNMUHKUAJNG-UHFFFAOYSA-N 0 1 457.508 4.503 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001464236155 1068669078 /nfs/dbraw/zinc/66/90/78/1068669078.db2.gz MANRTOMCQKWONR-IBGZPJMESA-N 0 1 457.537 4.604 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC001464236170 1068669104 /nfs/dbraw/zinc/66/91/04/1068669104.db2.gz MANRTOMCQKWONR-LJQANCHMSA-N 0 1 457.537 4.604 20 0 JJADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(I)c2[O-])cc1 ZINC001464239857 1068671159 /nfs/dbraw/zinc/67/11/59/1068671159.db2.gz RTVDLIGDSWVKHE-AWEZNQCLSA-N 0 1 450.320 4.624 20 0 JJADMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)n[nH]2)cc1C ZINC001464247492 1068674866 /nfs/dbraw/zinc/67/48/66/1068674866.db2.gz HXOOEVVRAIBXHA-UHFFFAOYSA-N 0 1 457.361 4.599 20 0 JJADMN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)CC2)cc1Cl ZINC001464254441 1068677230 /nfs/dbraw/zinc/67/72/30/1068677230.db2.gz NWDSSPHZXGPQCN-UHFFFAOYSA-N 0 1 458.349 4.682 20 0 JJADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)[nH]n1 ZINC001464265345 1068681355 /nfs/dbraw/zinc/68/13/55/1068681355.db2.gz ZDGGLQUSDGHDCM-UHFFFAOYSA-N 0 1 458.493 4.797 20 0 JJADMN O=C(NC1CCN(Cc2ccccn2)CC1)C1(c2cccc(Br)c2)CCCCC1 ZINC001464272827 1068684715 /nfs/dbraw/zinc/68/47/15/1068684715.db2.gz QIYJXUQCUYRULH-UHFFFAOYSA-N 0 1 456.428 4.827 20 0 JJADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC001464308236 1068700179 /nfs/dbraw/zinc/70/01/79/1068700179.db2.gz FABVEJMWPSRYFE-UHFFFAOYSA-N 0 1 457.361 4.970 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ccccc1NC(=O)OC(C)(C)C)N1CCCCC1 ZINC001464333064 1068709598 /nfs/dbraw/zinc/70/95/98/1068709598.db2.gz MDSHRSAHZGBWDE-JOCHJYFZSA-N 0 1 453.583 4.999 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)C1(c2ccccc2Br)CC1)N1CCCCC1 ZINC001464333037 1068709717 /nfs/dbraw/zinc/70/97/17/1068709717.db2.gz LRWMMKJAYASFBH-OAQYLSRUSA-N 0 1 457.412 4.833 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)N1CCCCC1 ZINC001464334561 1068710130 /nfs/dbraw/zinc/71/01/30/1068710130.db2.gz NTGVJEKHYWFRAY-OAQYLSRUSA-N 0 1 456.384 4.896 20 0 JJADMN Cc1[nH]nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1I ZINC001464341298 1068712883 /nfs/dbraw/zinc/71/28/83/1068712883.db2.gz YDOLGBXSQPFPAQ-UHFFFAOYSA-N 0 1 452.123 4.680 20 0 JJADMN O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464342834 1068713232 /nfs/dbraw/zinc/71/32/32/1068713232.db2.gz MVHBHMOVONDDEB-UHFFFAOYSA-N 0 1 456.886 4.937 20 0 JJADMN O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464364851 1068720157 /nfs/dbraw/zinc/72/01/57/1068720157.db2.gz KFDXHDRUVVNNGN-UHFFFAOYSA-N 0 1 454.895 4.503 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)cc2Cl)CC1 ZINC001464467711 1068757278 /nfs/dbraw/zinc/75/72/78/1068757278.db2.gz MZPFFOYOXUTQBH-UHFFFAOYSA-N 0 1 457.018 4.916 20 0 JJADMN CCCNC(=O)c1ccc(NC(=O)c2cc(-c3c(C)nn([C@H](C)CC)c3C)n[nH]2)cc1Cl ZINC001464467965 1068757326 /nfs/dbraw/zinc/75/73/26/1068757326.db2.gz PAZHUWFISILZIO-CYBMUJFWSA-N 0 1 456.978 4.907 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)CSc3nccn3C(C)(C)C)cc2Cl)CC1 ZINC001464470714 1068758909 /nfs/dbraw/zinc/75/89/09/1068758909.db2.gz UAVMZFOZPATCOF-UHFFFAOYSA-N 0 1 450.052 4.554 20 0 JJADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001464563977 1068783034 /nfs/dbraw/zinc/78/30/34/1068783034.db2.gz WQHVMPUOHDIPCB-HXUWFJFHSA-N 0 1 459.656 4.520 20 0 JJADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H](c2cccc(C(F)(F)F)c2)N(CC)CC)C1 ZINC001464628877 1068803781 /nfs/dbraw/zinc/80/37/81/1068803781.db2.gz LJSCABCCEKVICU-DSKINZAPSA-N 0 1 455.565 4.632 20 0 JJADMN Cc1cccnc1Oc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC001464641909 1068808761 /nfs/dbraw/zinc/80/87/61/1068808761.db2.gz ZOVUISBNXAIVJM-UHFFFAOYSA-N 0 1 450.296 4.982 20 0 JJADMN Cc1ccc([C@H](CNC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)N2CCCC2)o1 ZINC001464681615 1068823081 /nfs/dbraw/zinc/82/30/81/1068823081.db2.gz HTGCHPZQSKBFIR-YADHBBJMSA-N 0 1 453.583 4.723 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC001464690793 1068826296 /nfs/dbraw/zinc/82/62/96/1068826296.db2.gz SFBAHMPHSRUJRZ-UHFFFAOYSA-N 0 1 451.958 4.797 20 0 JJADMN O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl ZINC001464703908 1068830807 /nfs/dbraw/zinc/83/08/07/1068830807.db2.gz DQEJSNGZCNOAFC-RBBKRZOGSA-N 0 1 461.414 4.940 20 0 JJADMN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695059 719887389 /nfs/dbraw/zinc/88/73/89/719887389.db2.gz JTMVREWOPUEGHX-UHFFFAOYSA-N 0 1 464.969 4.761 20 0 JJADMN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696221 719896999 /nfs/dbraw/zinc/89/69/99/719896999.db2.gz CLHRQIPWFVUYFX-UHFFFAOYSA-N 0 1 452.958 4.694 20 0 JJADMN Fc1ccc(-c2nc(Cl)cc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n2)cc1 ZINC001164707359 719899777 /nfs/dbraw/zinc/89/97/77/719899777.db2.gz QFUYJIJYVXLQLN-UHFFFAOYSA-N 0 1 458.990 4.869 20 0 JJADMN c1nc2n(c1CN1CCCC1)CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CC2 ZINC001164730448 720562521 /nfs/dbraw/zinc/56/25/21/720562521.db2.gz VUECKOPRYNTSJS-UHFFFAOYSA-N 0 1 450.590 4.666 20 0 JJADMN Clc1ccc(-c2csc3ncnc(N4CCc5ncc(CN6CCCC6)n5CC4)c23)cc1 ZINC001164736294 720580910 /nfs/dbraw/zinc/58/09/10/720580910.db2.gz HEZREXBLHDELCQ-UHFFFAOYSA-N 0 1 465.026 4.867 20 0 JJADMN Cc1ccc(-c2cc(C(F)(F)N3CCc4ncc(CN5CCCC5)n4CC3)c(Cl)nn2)cc1 ZINC001164738696 720595629 /nfs/dbraw/zinc/59/56/29/720595629.db2.gz CQPSJLFOGVMKSL-UHFFFAOYSA-N 0 1 472.971 4.505 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)[C@@H]2C ZINC001164858611 720938706 /nfs/dbraw/zinc/93/87/06/720938706.db2.gz JPPBDMPQILSPBK-CYBMUJFWSA-N 0 1 452.912 4.585 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)[C@@H]2C ZINC001164860005 720955323 /nfs/dbraw/zinc/95/53/23/720955323.db2.gz OZHQRBTWTCCWNY-HXUWFJFHSA-N 0 1 453.594 4.824 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)[C@@H]2C ZINC001164860577 720978350 /nfs/dbraw/zinc/97/83/50/720978350.db2.gz OUXBVXIPSQZMQH-MRXNPFEDSA-N 0 1 460.960 4.960 20 0 JJADMN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164857996 721001823 /nfs/dbraw/zinc/00/18/23/721001823.db2.gz GAFUBOAGJIBPOP-INIZCTEOSA-N 0 1 455.990 4.683 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164860336 721011086 /nfs/dbraw/zinc/01/10/86/721011086.db2.gz LJTPFZAJPJQVMV-MRXNPFEDSA-N 0 1 460.960 4.960 20 0 JJADMN COc1ccc(Oc2nc(Cl)ncc2N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001164864886 721021039 /nfs/dbraw/zinc/02/10/39/721021039.db2.gz ZXSSCGJKQUOZGA-INIZCTEOSA-N 0 1 456.978 4.549 20 0 JJADMN CCn1nnc2c1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@@H]2COCc1ccccc1 ZINC001164774594 721048205 /nfs/dbraw/zinc/04/82/05/721048205.db2.gz XACFQMWYGQTBKF-MUUNZHRXSA-N 0 1 494.643 4.572 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3C2)cn1 ZINC001164769470 721098075 /nfs/dbraw/zinc/09/80/75/721098075.db2.gz ORECQLRQYWQGEV-RTWAWAEBSA-N 0 1 457.956 4.639 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772761 721123445 /nfs/dbraw/zinc/12/34/45/721123445.db2.gz WKWZUMQPBILBBD-RPBOFIJWSA-N 0 1 450.590 4.502 20 0 JJADMN Fc1cccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164879921 721169133 /nfs/dbraw/zinc/16/91/33/721169133.db2.gz VJWBITNNGUARRD-YADHBBJMSA-N 0 1 488.941 4.961 20 0 JJADMN Fc1ccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164871079 721170217 /nfs/dbraw/zinc/17/02/17/721170217.db2.gz DIBUTTQHHTVRBF-VXKWHMMOSA-N 0 1 488.941 4.961 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164764988 721195537 /nfs/dbraw/zinc/19/55/37/721195537.db2.gz HJYXHVHCABCTJV-RTWAWAEBSA-N 0 1 458.997 4.642 20 0 JJADMN Fc1ccc(-c2ncnc3c2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)CC3)cc1 ZINC001164775483 721315433 /nfs/dbraw/zinc/31/54/33/721315433.db2.gz FNVMUIOGFAEKOC-UHFFFAOYSA-N 0 1 465.576 4.841 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164786065 721360401 /nfs/dbraw/zinc/36/04/01/721360401.db2.gz VOCAAAAZAVHJPB-RUZDIDTESA-N 0 1 455.002 4.920 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893735 721425310 /nfs/dbraw/zinc/42/53/10/721425310.db2.gz KDWFFYNPHVSOCJ-IBVKSMDESA-N 0 1 498.096 4.777 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893737 721425445 /nfs/dbraw/zinc/42/54/45/721425445.db2.gz KDWFFYNPHVSOCJ-RXFWQSSRSA-N 0 1 498.096 4.777 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898365 721433407 /nfs/dbraw/zinc/43/34/07/721433407.db2.gz VUHVOYDOSRINJE-QDPGVEIFSA-N 0 1 492.067 4.716 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898361 721433427 /nfs/dbraw/zinc/43/34/27/721433427.db2.gz VUHVOYDOSRINJE-NEKDWFFYSA-N 0 1 492.067 4.716 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896845 721433925 /nfs/dbraw/zinc/43/39/25/721433925.db2.gz SFYZLHSYWGXBAA-LVXARBLLSA-N 0 1 498.096 4.777 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890730 721441600 /nfs/dbraw/zinc/44/16/00/721441600.db2.gz DPYQSYAUDKNMDC-OFSOJUDTSA-N 0 1 483.660 4.576 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898712 721444255 /nfs/dbraw/zinc/44/42/55/721444255.db2.gz WPFDZLONRIQFBS-POURPWNDSA-N 0 1 499.659 4.701 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C3)O2)CC1 ZINC001164892312 721444280 /nfs/dbraw/zinc/44/42/80/721444280.db2.gz ICXLXXBFDVFPSR-BHBYDHKZSA-N 0 1 489.708 4.957 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(OCc3ccccc3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164801167 721572397 /nfs/dbraw/zinc/57/23/97/721572397.db2.gz GJQBIIOKPPQPMG-ISJGIBHGSA-N 0 1 464.997 4.577 20 0 JJADMN FC1(F)CCN(c2nccc(-c3c[nH]c4ccccc34)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906662 721702542 /nfs/dbraw/zinc/70/25/42/721702542.db2.gz OEHCOQOPSYPMCR-VWLOTQADSA-N 0 1 460.532 4.758 20 0 JJADMN FC1(F)CCN(c2nc3ccccc3nc2N2CCCCC2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904886 721721486 /nfs/dbraw/zinc/72/14/86/721721486.db2.gz FEGQMBKPMWHZEX-SANMLTNESA-N 0 1 478.591 4.753 20 0 JJADMN COc1ccc(Cc2c(C)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164910769 721733842 /nfs/dbraw/zinc/73/38/42/721733842.db2.gz HRZYFEGVLACLGC-MHZLTWQESA-N 0 1 493.602 4.826 20 0 JJADMN CN(C)C(=O)CN1CCC2(CCCN2c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001165011042 721743913 /nfs/dbraw/zinc/74/39/13/721743913.db2.gz SZGIKTVHOCHWFO-UHFFFAOYSA-N 0 1 470.042 4.535 20 0 JJADMN Cc1sc2nc(-c3cccs3)nc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c2c1C ZINC001165009230 721745012 /nfs/dbraw/zinc/74/50/12/721745012.db2.gz AJEGWTVNEMFGEZ-UHFFFAOYSA-N 0 1 469.680 4.560 20 0 JJADMN CCOc1ccc(-c2ccc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)nn2)cc1 ZINC001165023428 721844210 /nfs/dbraw/zinc/84/42/10/721844210.db2.gz ZVOXZQPQQROXGJ-UHFFFAOYSA-N 0 1 462.594 4.660 20 0 JJADMN c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCN(C[C@@H]5CCCO5)CC4)c23)c1 ZINC001165039247 721918231 /nfs/dbraw/zinc/91/82/31/721918231.db2.gz RYWPIXWMDNSOPE-IBGZPJMESA-N 0 1 483.707 4.707 20 0 JJADMN c1sc2nc(-c3cccnc3)nc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000015130031 721918642 /nfs/dbraw/zinc/91/86/42/721918642.db2.gz SCDCEBOUAAMZSU-NRFANRHFSA-N 0 1 457.603 4.721 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)CC3)C2)cc1 ZINC001164939304 721923924 /nfs/dbraw/zinc/92/39/24/721923924.db2.gz HKQPDMZLKUBWSV-UHFFFAOYSA-N 0 1 457.352 4.508 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc5c4ccn5C(C)C)CC3)C2)cc1 ZINC001164938600 721930010 /nfs/dbraw/zinc/93/00/10/721930010.db2.gz AHEPNWIPBGNCPX-UHFFFAOYSA-N 0 1 454.018 4.845 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4cc(C)nc(-c5ccc(Cl)nc5)n4)CC3)C2)cc1 ZINC001164938628 721932736 /nfs/dbraw/zinc/93/27/36/721932736.db2.gz BWAXKFZDLYKFLE-UHFFFAOYSA-N 0 1 464.013 4.680 20 0 JJADMN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@H]21 ZINC001164954373 722004042 /nfs/dbraw/zinc/00/40/42/722004042.db2.gz WVDUHVHOBWLPQE-DQEYMECFSA-N 0 1 461.613 4.817 20 0 JJADMN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)C3)n1 ZINC001164959057 722026394 /nfs/dbraw/zinc/02/63/94/722026394.db2.gz HQFXISUUOSVPDQ-SMCANUKXSA-N 0 1 498.671 4.936 20 0 JJADMN c1ccc(-c2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc3ccccc32)cc1 ZINC001164962529 722055677 /nfs/dbraw/zinc/05/56/77/722055677.db2.gz FGQQLKDJOSVRIW-UHFFFAOYSA-N 0 1 465.601 4.811 20 0 JJADMN CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359719121 1064266615 /nfs/dbraw/zinc/26/66/15/1064266615.db2.gz CTSNODSJBNIEEJ-HKBOAZHASA-N 0 1 465.564 4.551 20 0 JJADMN CC(C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1Cc1ccnc(C(F)(F)F)c1 ZINC001359719645 1064267318 /nfs/dbraw/zinc/26/73/18/1064267318.db2.gz RUGSMJVAQOBRHV-GOSISDBHSA-N 0 1 458.532 4.574 20 0 JJADMN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)N(C)C ZINC001359737577 1064298547 /nfs/dbraw/zinc/29/85/47/1064298547.db2.gz APDDTJQZKFDPEJ-HKBOAZHASA-N 0 1 486.661 4.871 20 0 JJADMN CC(C)[C@@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)N(C)C ZINC001359737795 1064300151 /nfs/dbraw/zinc/30/01/51/1064300151.db2.gz GPGPJENFYQZNQO-SFTDATJTSA-N 0 1 457.619 4.985 20 0 JJADMN CC(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCCN2CCOCC2)C1 ZINC001359738890 1064304463 /nfs/dbraw/zinc/30/44/63/1064304463.db2.gz GSMFGSDMPWOHMK-SFHVURJKSA-N 0 1 466.457 4.847 20 0 JJADMN CC(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001359744217 1064315145 /nfs/dbraw/zinc/31/51/45/1064315145.db2.gz BTCDWGYGOXTICC-NZQKXSOJSA-N 0 1 453.656 4.746 20 0 JJADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC001434917419 1064344332 /nfs/dbraw/zinc/34/43/32/1064344332.db2.gz JPIHBWCPHYXBAX-UHFFFAOYSA-N 0 1 457.397 4.502 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c(C)onc2-c2ccccc2C)CC1 ZINC001434919025 1064346286 /nfs/dbraw/zinc/34/62/86/1064346286.db2.gz HUAIFXSGACBUAE-SFHVURJKSA-N 0 1 450.558 4.730 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCSc2cccc(Cl)c2)CC1 ZINC001434921485 1064349635 /nfs/dbraw/zinc/34/96/35/1064349635.db2.gz PXLDDTQCCLXOQA-QGZVFWFLSA-N 0 1 450.023 4.981 20 0 JJADMN C[C@@H](CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)N1CCc2ccccc2C1 ZINC001434962418 1064378051 /nfs/dbraw/zinc/37/80/51/1064378051.db2.gz OCJXBNOIQGOJER-ZDUSSCGKSA-N 0 1 457.290 4.524 20 0 JJADMN CCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001434974391 1064388740 /nfs/dbraw/zinc/38/87/40/1064388740.db2.gz FQOZHALKLSOBLF-DEOSSOPVSA-N 0 1 453.652 4.570 20 0 JJADMN CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c(C)n1 ZINC001434980607 1064397111 /nfs/dbraw/zinc/39/71/11/1064397111.db2.gz BWSVTORETCFLHO-GOSISDBHSA-N 0 1 451.615 4.603 20 0 JJADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)cc1 ZINC001435012163 1064427980 /nfs/dbraw/zinc/42/79/80/1064427980.db2.gz HCGWXYHALNVGOA-UHFFFAOYSA-N 0 1 450.514 4.536 20 0 JJADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2c(C(F)F)nc3n2CCCC3)cc1 ZINC001435012718 1064428690 /nfs/dbraw/zinc/42/86/90/1064428690.db2.gz KAPBGOPAYBXWGE-UHFFFAOYSA-N 0 1 459.541 4.614 20 0 JJADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)cc1 ZINC001435013028 1064429753 /nfs/dbraw/zinc/42/97/53/1064429753.db2.gz LOEVWWZLNMVNPT-UHFFFAOYSA-N 0 1 450.583 4.860 20 0 JJADMN CC(C)Cc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1CCN1CCc2sccc2C1 ZINC001359780607 1064430539 /nfs/dbraw/zinc/43/05/39/1064430539.db2.gz CDSKUXHMEGPQQE-UHFFFAOYSA-N 0 1 475.609 4.834 20 0 JJADMN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(-c2cccc(Br)c2)no1 ZINC001435090837 1064508317 /nfs/dbraw/zinc/50/83/17/1064508317.db2.gz MXWQUNUWJFOHRL-UHFFFAOYSA-N 0 1 459.300 4.938 20 0 JJADMN CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@@H](c1ccsc1)N(C)C ZINC001359852890 1064540505 /nfs/dbraw/zinc/54/05/05/1064540505.db2.gz YUNJAGCNJGHEEM-XXBNENTESA-N 0 1 470.662 4.695 20 0 JJADMN CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001359860179 1064548930 /nfs/dbraw/zinc/54/89/30/1064548930.db2.gz FZAYPIOIAOELMB-PKTZIBPZSA-N 0 1 498.716 4.690 20 0 JJADMN CC(C)Cc1nnc(N2CCN3CCCC[C@H]3C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359864006 1064553311 /nfs/dbraw/zinc/55/33/11/1064553311.db2.gz CSLMANJWCZWQRN-FPOVZHCZSA-N 0 1 453.528 4.772 20 0 JJADMN CC(C)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001359881804 1064575724 /nfs/dbraw/zinc/57/57/24/1064575724.db2.gz SKPLLBJJIDXYFX-ACRUOGEOSA-N 0 1 457.638 4.844 20 0 JJADMN CC(C)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001359881805 1064576154 /nfs/dbraw/zinc/57/61/54/1064576154.db2.gz SKPLLBJJIDXYFX-HBMCJLEFSA-N 0 1 457.638 4.844 20 0 JJADMN CC(C)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001359881806 1064576309 /nfs/dbraw/zinc/57/63/09/1064576309.db2.gz SKPLLBJJIDXYFX-NJYVYQBISA-N 0 1 457.638 4.844 20 0 JJADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001435273534 1064651382 /nfs/dbraw/zinc/65/13/82/1064651382.db2.gz JVJZJLPEQFUVCP-ZZXKWVIFSA-N 0 1 459.390 4.537 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1Br ZINC001435318294 1064690916 /nfs/dbraw/zinc/69/09/16/1064690916.db2.gz FFOXSSPCJUWPTA-UHFFFAOYSA-N 0 1 452.780 4.505 20 0 JJADMN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001359955121 1064723197 /nfs/dbraw/zinc/72/31/97/1064723197.db2.gz QKUBDKKIVMHUAZ-VWNXMTODSA-N 0 1 469.674 4.573 20 0 JJADMN CC(C)CCOCCn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001359967229 1064742156 /nfs/dbraw/zinc/74/21/56/1064742156.db2.gz MURCNKVBPITJSF-UHFFFAOYSA-N 0 1 457.638 4.850 20 0 JJADMN COCCOCCC(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl ZINC001435412161 1064744924 /nfs/dbraw/zinc/74/49/24/1064744924.db2.gz GENBWUYJGOPHAB-UHFFFAOYSA-N 0 1 452.736 4.637 20 0 JJADMN CN(CCNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)Cc1ccc(F)cc1 ZINC001435415607 1064746634 /nfs/dbraw/zinc/74/66/34/1064746634.db2.gz CRFNATTVCUMHKU-UHFFFAOYSA-N 0 1 451.489 4.754 20 0 JJADMN CC(C)CN(c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001359986160 1064766536 /nfs/dbraw/zinc/76/65/36/1064766536.db2.gz ASSSDZNVJBHHDI-SFTDATJTSA-N 0 1 454.663 4.633 20 0 JJADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001435457523 1064768439 /nfs/dbraw/zinc/76/84/39/1064768439.db2.gz GYXGKJVUKAXQER-UHFFFAOYSA-N 0 1 457.014 4.932 20 0 JJADMN Cc1ccccc1COc1cccc(CC(=O)NCC2(CN3CCOCC3)CCCCC2)c1 ZINC001435459081 1064768954 /nfs/dbraw/zinc/76/89/54/1064768954.db2.gz WMOUVOJLUCBDCJ-UHFFFAOYSA-N 0 1 450.623 4.515 20 0 JJADMN CC(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCc2cccs2)CC1 ZINC001359995015 1064779141 /nfs/dbraw/zinc/77/91/41/1064779141.db2.gz QGULCZMWIDDPCE-IBGZPJMESA-N 0 1 457.619 4.639 20 0 JJADMN C[C@@H]1CN(C(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001435565095 1064836912 /nfs/dbraw/zinc/83/69/12/1064836912.db2.gz HWQQOESYYIGCKO-RTWAWAEBSA-N 0 1 455.643 4.535 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccsc2)C1 ZINC001360034164 1064838329 /nfs/dbraw/zinc/83/83/29/1064838329.db2.gz BUQRXCNJBQQAHW-PZJWPPBQSA-N 0 1 487.645 4.612 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001360034700 1064839240 /nfs/dbraw/zinc/83/92/40/1064839240.db2.gz GXNDIZGTPWNKKF-SIKLNZKXSA-N 0 1 460.066 4.828 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(C)C)C2)C1 ZINC001360036261 1064844090 /nfs/dbraw/zinc/84/40/90/1064844090.db2.gz WXYMJDYHQPZEST-VABKMULXSA-N 0 1 487.664 4.786 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001360036176 1064844272 /nfs/dbraw/zinc/84/42/72/1064844272.db2.gz UWAPWJUIIFUGGW-UGKGYDQZSA-N 0 1 491.627 4.776 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001360036177 1064844310 /nfs/dbraw/zinc/84/43/10/1064844310.db2.gz UYCWXEUIXDJGPL-FQEVSTJZSA-N 0 1 485.982 4.734 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(C)C)C2)C1 ZINC001360036262 1064844785 /nfs/dbraw/zinc/84/47/85/1064844785.db2.gz WXYMJDYHQPZEST-VJBWXMMDSA-N 0 1 487.664 4.786 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001360036359 1064845318 /nfs/dbraw/zinc/84/53/18/1064845318.db2.gz YMRZRUPTBWGCLW-PTUXOGIPSA-N 0 1 460.066 4.970 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)[C@@H](C)c2cccs2)C1 ZINC001360038210 1064849868 /nfs/dbraw/zinc/84/98/68/1064849868.db2.gz CJOZAZSWPYSSMO-VQTJNVASSA-N 0 1 487.645 4.612 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(N(C)Cc3ccccc3C(F)(F)F)nnc2C(C)(C)C)C1 ZINC001360038737 1064850393 /nfs/dbraw/zinc/85/03/93/1064850393.db2.gz JFNBAOGNKODOMN-LJQANCHMSA-N 0 1 467.580 4.588 20 0 JJADMN CC(C)CN1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC001360039764 1064854456 /nfs/dbraw/zinc/85/44/56/1064854456.db2.gz MXSCBNUYSCCGMU-MOPGFXCFSA-N 0 1 496.121 4.516 20 0 JJADMN CCOC(=O)N1[C@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)CC[C@H]1c1ccc(C)o1 ZINC001435622338 1064884117 /nfs/dbraw/zinc/88/41/17/1064884117.db2.gz RFUJKMULWBXGTG-HOTGVXAUSA-N 0 1 450.417 4.784 20 0 JJADMN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001435626104 1064887276 /nfs/dbraw/zinc/88/72/76/1064887276.db2.gz FOIIKVIHDUXBGO-AOMKIAJQSA-N 0 1 456.464 4.677 20 0 JJADMN CC(C)CO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CC=CCC2)C1 ZINC001360067533 1064912309 /nfs/dbraw/zinc/91/23/09/1064912309.db2.gz XIXOLSOEZVGOOB-OAQYLSRUSA-N 0 1 476.090 4.737 20 0 JJADMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749357 1064972065 /nfs/dbraw/zinc/97/20/65/1064972065.db2.gz MOPJGCZEYRLCQJ-LBUQITIBSA-N 0 1 457.981 4.926 20 0 JJADMN CN1CC[C@H](CNC(=O)c2cccc(OCc3cscn3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435750536 1064975218 /nfs/dbraw/zinc/97/52/18/1064975218.db2.gz RLRWGAWRVSTVGQ-VGSWGCGISA-N 0 1 459.974 4.937 20 0 JJADMN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001435760937 1064980753 /nfs/dbraw/zinc/98/07/53/1064980753.db2.gz ZMBKGVNMMXHYRH-LBPRGKRZSA-N 0 1 453.536 4.804 20 0 JJADMN CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccsc1)N(C)C ZINC001360116812 1065002608 /nfs/dbraw/zinc/00/26/08/1065002608.db2.gz RIRAKZJLDLIJLZ-DENIHFKCSA-N 0 1 457.619 4.701 20 0 JJADMN CC(C)N(Cc1ccco1)c1nnc(C(C)(C)C)n1CC1(CN2CCOCC2)CCCCC1 ZINC001360118971 1065005881 /nfs/dbraw/zinc/00/58/81/1065005881.db2.gz UTGUFUVDQYCNAJ-UHFFFAOYSA-N 0 1 457.663 4.866 20 0 JJADMN CCCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001360130266 1065025752 /nfs/dbraw/zinc/02/57/52/1065025752.db2.gz XCSKXPRKHHIKIE-NRFANRHFSA-N 0 1 452.599 4.945 20 0 JJADMN COC(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC001435854396 1065025994 /nfs/dbraw/zinc/02/59/94/1065025994.db2.gz FUCRZRTZRWYUSD-FQEVSTJZSA-N 0 1 450.913 4.750 20 0 JJADMN CC(C)([C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001435855680 1065027308 /nfs/dbraw/zinc/02/73/08/1065027308.db2.gz NAACFUACHCRDJS-QHCPKHFHSA-N 0 1 459.562 4.823 20 0 JJADMN O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@H]1CSCCN1Cc1ccccc1 ZINC001435875724 1065039132 /nfs/dbraw/zinc/03/91/32/1065039132.db2.gz MNESJVIYQGATDA-IBGZPJMESA-N 0 1 453.435 4.886 20 0 JJADMN 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C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC001440649060 1065958422 /nfs/dbraw/zinc/95/84/22/1065958422.db2.gz VFKQZVOUDJXGQC-GZHVBOIYSA-N 0 1 463.622 4.543 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)N(C)C)c1 ZINC001440679900 1065964397 /nfs/dbraw/zinc/96/43/97/1065964397.db2.gz XDHCWHGRHYJOFD-SANMLTNESA-N 0 1 454.574 4.889 20 0 JJADMN CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001360851664 1065965399 /nfs/dbraw/zinc/96/53/99/1065965399.db2.gz PAPMMYWQYIZTHX-LJQANCHMSA-N 0 1 474.378 4.859 20 0 JJADMN CC(C)(C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001440722783 1065971411 /nfs/dbraw/zinc/97/14/11/1065971411.db2.gz OGUVQCVDCKBOTD-RBUKOAKNSA-N 0 1 479.509 4.839 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001440731114 1065971506 /nfs/dbraw/zinc/97/15/06/1065971506.db2.gz AXBMZCRIYIKGDV-LIRRHRJNSA-N 0 1 456.940 4.772 20 0 JJADMN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(I)cc1O ZINC001440754377 1065976517 /nfs/dbraw/zinc/97/65/17/1065976517.db2.gz LQLOWXAUDNAFAA-UHFFFAOYSA-N 0 1 451.260 4.681 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(C(C)=O)c3)ccc2Cl)cc1 ZINC001440757537 1065977165 /nfs/dbraw/zinc/97/71/65/1065977165.db2.gz RXVZDOQALZPKRR-UHFFFAOYSA-N 0 1 458.923 4.604 20 0 JJADMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cn[nH]c1-c1cccc(Cl)c1 ZINC001440838274 1065983662 /nfs/dbraw/zinc/98/36/62/1065983662.db2.gz WTNZHYFEBCWCEF-UHFFFAOYSA-N 0 1 452.923 4.783 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)N(C)C)c1C ZINC001360865446 1065984793 /nfs/dbraw/zinc/98/47/93/1065984793.db2.gz BLSJRQLCWJCWJP-ZWKOTPCHSA-N 0 1 465.520 4.929 20 0 JJADMN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC001440870179 1065986512 /nfs/dbraw/zinc/98/65/12/1065986512.db2.gz FVHPCYOGWCKURH-KAMYIIQDSA-N 0 1 459.590 4.780 20 0 JJADMN CCN(CC)[C@H](CNC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1)c1ccccc1Cl ZINC001440874132 1065987423 /nfs/dbraw/zinc/98/74/23/1065987423.db2.gz GTKNHGIMSXVZNV-UXHICEINSA-N 0 1 452.357 4.825 20 0 JJADMN CCOc1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440954332 1065996685 /nfs/dbraw/zinc/99/66/85/1065996685.db2.gz PFNLWEOFWSGXFD-QRVBRYPASA-N 0 1 453.583 4.936 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3nccs3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360869705 1065998636 /nfs/dbraw/zinc/99/86/36/1065998636.db2.gz QKLULLWMBFLAGZ-KCZVDYSFSA-N 0 1 498.697 4.627 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)Cc3nccs3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360869704 1065998763 /nfs/dbraw/zinc/99/87/63/1065998763.db2.gz QKLULLWMBFLAGZ-JAXLGGSGSA-N 0 1 498.697 4.627 20 0 JJADMN O=C(N[C@H](c1ccccc1)C1CC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001441014805 1066000913 /nfs/dbraw/zinc/00/09/13/1066000913.db2.gz XAXPIHIDAYPSOI-JOCHJYFZSA-N 0 1 456.951 4.728 20 0 JJADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441120593 1066009208 /nfs/dbraw/zinc/00/92/08/1066009208.db2.gz WFHLYOVDHRDLAU-UHFFFAOYSA-N 0 1 454.905 4.768 20 0 JJADMN C[C@@H](CCOc1ccccc1)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC001441304704 1066023847 /nfs/dbraw/zinc/02/38/47/1066023847.db2.gz COCROBBGVKQAMF-DEOSSOPVSA-N 0 1 457.618 4.730 20 0 JJADMN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441328867 1066029013 /nfs/dbraw/zinc/02/90/13/1066029013.db2.gz SIDBXFZTZXMHNZ-HXUWFJFHSA-N 0 1 459.377 4.929 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CCCCC[C@@H]1c1ccncc1 ZINC001441362639 1066034640 /nfs/dbraw/zinc/03/46/40/1066034640.db2.gz BSUSVELVCOOXMF-JOCHJYFZSA-N 0 1 450.608 4.785 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCc2c(cnn2-c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001441397046 1066037461 /nfs/dbraw/zinc/03/74/61/1066037461.db2.gz KHBQWWZPVRGTNB-QHCPKHFHSA-N 0 1 456.512 4.859 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CCCCN2CCOCC2)c1C ZINC001360883684 1066037344 /nfs/dbraw/zinc/03/73/44/1066037344.db2.gz WPHUYNZVVIRDGF-DEOSSOPVSA-N 0 1 467.658 4.694 20 0 JJADMN CCC(CC)N(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001441616283 1066054554 /nfs/dbraw/zinc/05/45/54/1066054554.db2.gz XIXWUBYCVDDRAB-UHFFFAOYSA-N 0 1 456.967 4.557 20 0 JJADMN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(F)(F)F)[nH]n1)Nc1ccccc1F ZINC001441704286 1066062914 /nfs/dbraw/zinc/06/29/14/1066062914.db2.gz SDGRDHAJGGLDOH-UHFFFAOYSA-N 0 1 454.811 4.502 20 0 JJADMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)c2ccccc2)cc1Cl ZINC001441819570 1066073593 /nfs/dbraw/zinc/07/35/93/1066073593.db2.gz IAHFCSMGLDKEJC-HNNXBMFYSA-N 0 1 450.926 4.561 20 0 JJADMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)c2ccccc2)cc1Cl ZINC001441819570 1066073609 /nfs/dbraw/zinc/07/36/09/1066073609.db2.gz IAHFCSMGLDKEJC-HNNXBMFYSA-N 0 1 450.926 4.561 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)N1CCCCC1 ZINC001441881794 1066077399 /nfs/dbraw/zinc/07/73/99/1066077399.db2.gz HLLZOGDGLFDBRE-QFIPXVFZSA-N 0 1 453.583 4.844 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(Nc2nccs2)cc1F)N1CCCCC1 ZINC001441891997 1066079202 /nfs/dbraw/zinc/07/92/02/1066079202.db2.gz WRDARHNFNAVIBH-OAQYLSRUSA-N 0 1 454.571 4.991 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928949 1066084854 /nfs/dbraw/zinc/08/48/54/1066084854.db2.gz SEFXXTLIISDWQW-RPWUZVMVSA-N 0 1 451.611 4.938 20 0 JJADMN Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001360944919 1066099753 /nfs/dbraw/zinc/09/97/53/1066099753.db2.gz NZSHFINQQSSHED-HDICACEKSA-N 0 1 487.595 4.573 20 0 JJADMN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC001442330373 1066117072 /nfs/dbraw/zinc/11/70/72/1066117072.db2.gz CACADUCNLWOUHE-UHFFFAOYSA-N 0 1 456.030 4.569 20 0 JJADMN COCCN1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 ZINC001442381874 1066121982 /nfs/dbraw/zinc/12/19/82/1066121982.db2.gz SRQPNGQROBKSGS-UHFFFAOYSA-N 0 1 456.505 4.790 20 0 JJADMN CCN(CC)[C@@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001360967621 1066124927 /nfs/dbraw/zinc/12/49/27/1066124927.db2.gz JCOBLXGTCILBAW-RTBURBONSA-N 0 1 457.537 4.508 20 0 JJADMN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1CCC(N2CCOCC2)CC1 ZINC001442418458 1066126272 /nfs/dbraw/zinc/12/62/72/1066126272.db2.gz WIGRYDAJPAMOMU-UHFFFAOYSA-N 0 1 457.590 4.543 20 0 JJADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)C1(c2cc(F)cc(Br)c2)CC1 ZINC001360978194 1066136068 /nfs/dbraw/zinc/13/60/68/1066136068.db2.gz OGORRBRSJWHWTD-UHFFFAOYSA-N 0 1 453.109 4.897 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C(=O)NCCc3ccccc3)[nH]n2)cc1 ZINC001442554552 1066137278 /nfs/dbraw/zinc/13/72/78/1066137278.db2.gz SBVDXDMCPKCBRX-UHFFFAOYSA-N 0 1 454.530 4.619 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001360986268 1066150298 /nfs/dbraw/zinc/15/02/98/1066150298.db2.gz ZCZCUWBIPBLOPF-FGZHOGPDSA-N 0 1 496.700 4.515 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)C)n1C[C@@H](c1ccsc1)N(C)C ZINC001360986322 1066151453 /nfs/dbraw/zinc/15/14/53/1066151453.db2.gz ASUSBOBWZDWWMR-NRFANRHFSA-N 0 1 468.671 4.533 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)C2)n1CCN1CCSCC1 ZINC001360989379 1066161225 /nfs/dbraw/zinc/16/12/25/1066161225.db2.gz DGZUHKIWUHCTLG-QFBILLFUSA-N 0 1 464.079 4.583 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCCCCCO ZINC001360991642 1066170247 /nfs/dbraw/zinc/17/02/47/1066170247.db2.gz DQCMFKMDFMBOLS-FYYLOGMGSA-N 0 1 490.092 4.916 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCCCCCO ZINC001360991645 1066170253 /nfs/dbraw/zinc/17/02/53/1066170253.db2.gz DQCMFKMDFMBOLS-JTHBVZDNSA-N 0 1 490.092 4.916 20 0 JJADMN Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)C)CC1 ZINC001361008232 1066188681 /nfs/dbraw/zinc/18/86/81/1066188681.db2.gz JSVDOFIIBLMHOM-UHFFFAOYSA-N 0 1 478.950 4.899 20 0 JJADMN Cc1cc(C)cc(CCn2c(N3CCN(CCc4cccs4)CC3)nnc2C(C)(C)C)c1 ZINC001361017302 1066206067 /nfs/dbraw/zinc/20/60/67/1066206067.db2.gz OVLOVSQCYURPJI-UHFFFAOYSA-N 0 1 451.684 4.861 20 0 JJADMN Cc1ncc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)N(C)C)s1 ZINC001361021146 1066213669 /nfs/dbraw/zinc/21/36/69/1066213669.db2.gz RJUASGMYRFIYHT-QFIPXVFZSA-N 0 1 480.638 4.771 20 0 JJADMN Cc1cc(C)cc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)N2CCCC2)c1 ZINC001361021380 1066214510 /nfs/dbraw/zinc/21/45/10/1066214510.db2.gz WCOUDGUOLYGHKL-HXUWFJFHSA-N 0 1 477.531 4.903 20 0 JJADMN CCC(CC)(CNC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001453991966 1066230790 /nfs/dbraw/zinc/23/07/90/1066230790.db2.gz YYJVQBNWJZSLTH-QGZVFWFLSA-N 0 1 458.578 4.761 20 0 JJADMN Cc1cc(CCC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)ccc1Br ZINC001442869081 1066234609 /nfs/dbraw/zinc/23/46/09/1066234609.db2.gz AADVBPIWPMDTKM-UHFFFAOYSA-N 0 1 453.384 4.881 20 0 JJADMN O=C(N[C@H](CC1CCCCC1)c1ccccc1)c1cnc(I)c(O)c1 ZINC001442911459 1066239459 /nfs/dbraw/zinc/23/94/59/1066239459.db2.gz XTUXWIRLDQTFOG-QGZVFWFLSA-N 0 1 450.320 4.833 20 0 JJADMN O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCCCN1Cc1ccccc1 ZINC001442932073 1066243210 /nfs/dbraw/zinc/24/32/10/1066243210.db2.gz CEOIHDGEAHXINO-SFHVURJKSA-N 0 1 453.327 4.721 20 0 JJADMN Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC(C)(C)[N@@H+](Cc4ccccc4)CC3(C)C)n2)c1 ZINC001454120737 1066247683 /nfs/dbraw/zinc/24/76/83/1066247683.db2.gz QMBAOUMUOPDFLS-UHFFFAOYSA-N 0 1 450.558 4.541 20 0 JJADMN Cc1cc(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)nn1-c1ccc(Br)cc1 ZINC001454217388 1066255758 /nfs/dbraw/zinc/25/57/58/1066255758.db2.gz JMZPGFCVLWUVQB-LBPRGKRZSA-N 0 1 458.747 4.964 20 0 JJADMN CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001443069941 1066262363 /nfs/dbraw/zinc/26/23/63/1066262363.db2.gz XRINBWRBDRQWDM-GOSISDBHSA-N 0 1 458.967 4.598 20 0 JJADMN C[C@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001443090273 1066265374 /nfs/dbraw/zinc/26/53/74/1066265374.db2.gz LMQZEKBBZRLHBP-LJQANCHMSA-N 0 1 453.558 4.878 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(CCCCC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1 ZINC001454302846 1066267022 /nfs/dbraw/zinc/26/70/22/1066267022.db2.gz RQHDDJOYEDMAEX-ZEQRLZLVSA-N 0 1 455.643 4.679 20 0 JJADMN CCCc1nc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)nn1-c1ccccc1Cl ZINC001443166247 1066276457 /nfs/dbraw/zinc/27/64/57/1066276457.db2.gz OROMGYAPMIHBFH-NRFANRHFSA-N 0 1 452.002 4.830 20 0 JJADMN Cc1csc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1I ZINC001443173056 1066277370 /nfs/dbraw/zinc/27/73/70/1066277370.db2.gz YQCMGPNSCHSODN-INIZCTEOSA-N 0 1 454.377 4.618 20 0 JJADMN Cc1nc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404744 1066279327 /nfs/dbraw/zinc/27/93/27/1066279327.db2.gz MQXHQKIRJKFUEW-QRWLVFNGSA-N 0 1 458.393 4.523 20 0 JJADMN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546061581 1066282396 /nfs/dbraw/zinc/28/23/96/1066282396.db2.gz BZILEZGXMLIHRI-KKPNIWNPSA-N 0 1 473.637 4.683 20 0 JJADMN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC001443300135 1066291872 /nfs/dbraw/zinc/29/18/72/1066291872.db2.gz VODHOYOTMMLIEP-UHFFFAOYSA-N 0 1 456.930 4.886 20 0 JJADMN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001443359941 1066301185 /nfs/dbraw/zinc/30/11/85/1066301185.db2.gz VCNLBIGULOFKHI-IFMALSPDSA-N 0 1 453.936 4.704 20 0 JJADMN CN(C)C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(Cl)c(Cl)c1 ZINC001454573394 1066303289 /nfs/dbraw/zinc/30/32/89/1066303289.db2.gz CSNLJFFOYFCWSK-QGZVFWFLSA-N 0 1 456.370 4.644 20 0 JJADMN CN(C)C[C@H](NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001454573469 1066303436 /nfs/dbraw/zinc/30/34/36/1066303436.db2.gz DSGFDXOSUPKPCR-JLSDUUJJSA-N 0 1 458.430 4.652 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)c1C ZINC001443416727 1066308370 /nfs/dbraw/zinc/30/83/70/1066308370.db2.gz ZNPUNWBQAAEOKD-UHFFFAOYSA-N 0 1 452.624 4.809 20 0 JJADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3csc([C@@H](C)NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC001443535260 1066326099 /nfs/dbraw/zinc/32/60/99/1066326099.db2.gz WXQMTCNNXDFKQH-RDTXWAMCSA-N 0 1 455.584 4.891 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001443551714 1066328514 /nfs/dbraw/zinc/32/85/14/1066328514.db2.gz OZWHTPYRYWWWIH-XZOQPEGZSA-N 0 1 457.659 4.973 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(C(C)C)C2CCCC2)c1 ZINC001443566929 1066329447 /nfs/dbraw/zinc/32/94/47/1066329447.db2.gz HXFYJDAWAHUNGF-UHFFFAOYSA-N 0 1 450.988 4.943 20 0 JJADMN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)c1cc(C)ccc1C ZINC001454770863 1066332332 /nfs/dbraw/zinc/33/23/32/1066332332.db2.gz OREZAVDHNYTXAM-QFIPXVFZSA-N 0 1 452.576 4.994 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001361088822 1066333142 /nfs/dbraw/zinc/33/31/42/1066333142.db2.gz LYKAQHCTDKEXRR-NQIIRXRSSA-N 0 1 472.033 4.994 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)C2)n1C[C@H](c1ccco1)N(C)C ZINC001361088821 1066333211 /nfs/dbraw/zinc/33/32/11/1066333211.db2.gz LYKAQHCTDKEXRR-GHTZIAJQSA-N 0 1 472.033 4.994 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCN1CCSCC1 ZINC001361089663 1066337320 /nfs/dbraw/zinc/33/73/20/1066337320.db2.gz ZFVKOYRZRLGPIR-TZIWHRDSSA-N 0 1 492.133 4.783 20 0 JJADMN CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CC(C)C)cc1 ZINC001443640321 1066343627 /nfs/dbraw/zinc/34/36/27/1066343627.db2.gz GFRCDQVZWKLIPP-HSZRJFAPSA-N 0 1 452.624 4.649 20 0 JJADMN CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001454974625 1066348903 /nfs/dbraw/zinc/34/89/03/1066348903.db2.gz KGSPDTWMAJDZAJ-LJQANCHMSA-N 0 1 451.489 4.727 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc3nccnc32)ccc1Cl ZINC001454996117 1066350138 /nfs/dbraw/zinc/35/01/38/1066350138.db2.gz XIJDFQXZDFCOGZ-UHFFFAOYSA-N 0 1 452.923 4.645 20 0 JJADMN COc1ccc(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001455005312 1066352053 /nfs/dbraw/zinc/35/20/53/1066352053.db2.gz UXDWYVFDVIISSV-RBUKOAKNSA-N 0 1 456.608 4.703 20 0 JJADMN C[C@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1ccc(Cl)c(Cl)c1Cl ZINC001443711292 1066355832 /nfs/dbraw/zinc/35/58/32/1066355832.db2.gz LXLXOXUNEHWJIR-JTQLQIEISA-N 0 1 456.782 4.913 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001546068136 1066356735 /nfs/dbraw/zinc/35/67/35/1066356735.db2.gz ITIUARQSBMAGQQ-QPPBQGQZSA-N 0 1 490.490 4.691 20 0 JJADMN Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC001361111225 1066361584 /nfs/dbraw/zinc/36/15/84/1066361584.db2.gz XYKNNOAECIQJTD-VMODYCNZSA-N 0 1 493.700 4.505 20 0 JJADMN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC001443765270 1066364496 /nfs/dbraw/zinc/36/44/96/1066364496.db2.gz CTWPLOZJKIBWDB-HSZRJFAPSA-N 0 1 454.636 4.641 20 0 JJADMN COCCc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)cc1 ZINC001443770290 1066365494 /nfs/dbraw/zinc/36/54/94/1066365494.db2.gz ODKUWNZYNKBSIH-UHFFFAOYSA-N 0 1 459.590 4.668 20 0 JJADMN CC(C)COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC001443851152 1066376237 /nfs/dbraw/zinc/37/62/37/1066376237.db2.gz PZHANVQZXNPMOS-UHFFFAOYSA-N 0 1 459.955 4.823 20 0 JJADMN Cc1ccc([C@H]2CCN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)C2(C)C)cc1 ZINC001455287924 1066380865 /nfs/dbraw/zinc/38/08/65/1066380865.db2.gz ZRSMBDYGJLRUGX-VQTJNVASSA-N 0 1 452.599 4.851 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1 ZINC001361126372 1066384296 /nfs/dbraw/zinc/38/42/96/1066384296.db2.gz QVAGSQTYVJLCOK-KMDXXIMOSA-N 0 1 483.701 4.738 20 0 JJADMN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)C(C)C ZINC001443923998 1066385742 /nfs/dbraw/zinc/38/57/42/1066385742.db2.gz GUVXWJZCRDDBNS-GMAHTHKFSA-N 0 1 450.583 4.585 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC3(C)C)n2CCN2CCSCC2)c1 ZINC001361127274 1066387519 /nfs/dbraw/zinc/38/75/19/1066387519.db2.gz GRFCOONZLLEKCO-UHFFFAOYSA-N 0 1 457.688 4.717 20 0 JJADMN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc(-c3ccc(Br)cc3)[nH]n1)CC2 ZINC001455434455 1066389677 /nfs/dbraw/zinc/38/96/77/1066389677.db2.gz RNHAUMDJNZUKSS-CYBMUJFWSA-N 0 1 456.340 4.616 20 0 JJADMN C[C@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)C1(N2CCOCC2)CCCC1 ZINC001443991062 1066391981 /nfs/dbraw/zinc/39/19/81/1066391981.db2.gz FVHGDJHCEJGJNM-FQEVSTJZSA-N 0 1 457.014 4.611 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@H](C(C)C)C2)n1 ZINC001361128568 1066392705 /nfs/dbraw/zinc/39/27/05/1066392705.db2.gz ZMODLQDIKUIIKF-NRFANRHFSA-N 0 1 465.646 4.831 20 0 JJADMN Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@H](C(C)C)C2)[nH]1 ZINC001361128568 1066392721 /nfs/dbraw/zinc/39/27/21/1066392721.db2.gz ZMODLQDIKUIIKF-NRFANRHFSA-N 0 1 465.646 4.831 20 0 JJADMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)C2)n[nH]1 ZINC001455463351 1066394070 /nfs/dbraw/zinc/39/40/70/1066394070.db2.gz HZTZHCKTAJXWMR-TZIWHRDSSA-N 0 1 452.599 4.774 20 0 JJADMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)C2)n[nH]1 ZINC001455463346 1066394204 /nfs/dbraw/zinc/39/42/04/1066394204.db2.gz HZTZHCKTAJXWMR-FPOVZHCZSA-N 0 1 452.599 4.774 20 0 JJADMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3nc4ccc(Cl)cc4[nH]3)ccc2C)c1 ZINC001455481857 1066396380 /nfs/dbraw/zinc/39/63/80/1066396380.db2.gz SHSUXKLWVPPVHT-UHFFFAOYSA-N 0 1 454.939 4.886 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@H]2CSCCS2)c1 ZINC001361131054 1066397889 /nfs/dbraw/zinc/39/78/89/1066397889.db2.gz WPWPWTJGAFETQD-OAQYLSRUSA-N 0 1 489.755 4.668 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@H]3C)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001361131184 1066398393 /nfs/dbraw/zinc/39/83/93/1066398393.db2.gz BAPUPWMBHCPNDU-NFBKMPQASA-N 0 1 483.682 4.878 20 0 JJADMN O=C(Cc1cc(Br)ccc1F)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444134376 1066411815 /nfs/dbraw/zinc/41/18/15/1066411815.db2.gz LKMQWYIDIAYVBN-KRWDZBQOSA-N 0 1 459.281 4.540 20 0 JJADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(NCc2ccccn2)c1 ZINC001444141864 1066414617 /nfs/dbraw/zinc/41/46/17/1066414617.db2.gz VQTQLKCBKPSJSF-QHCPKHFHSA-N 0 1 454.496 4.717 20 0 JJADMN C[C@H](C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001444249357 1066435393 /nfs/dbraw/zinc/43/53/93/1066435393.db2.gz RKAMEMKMTUXMJU-HUVFLSCGSA-N 0 1 457.659 4.529 20 0 JJADMN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001455850388 1066441161 /nfs/dbraw/zinc/44/11/61/1066441161.db2.gz MDFNVOLVSAXHFZ-DEYYWGMASA-N 0 1 453.391 4.960 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361152043 1066445240 /nfs/dbraw/zinc/44/52/40/1066445240.db2.gz HMCFZRJTVYVSKL-KELGSRBJSA-N 0 1 483.701 4.844 20 0 JJADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC001444397161 1066458290 /nfs/dbraw/zinc/45/82/90/1066458290.db2.gz WQWWALFJIFQVRG-OAHLLOKOSA-N 0 1 459.937 4.688 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCC4)CC3)n2CCSCC(C)C)c1 ZINC001361159966 1066465827 /nfs/dbraw/zinc/46/58/27/1066465827.db2.gz PNTKRUAVUUXUOI-UHFFFAOYSA-N 0 1 457.688 4.538 20 0 JJADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)[C@H]3CCCc4sccc43)cc2)n[nH]1 ZINC001444561630 1066476519 /nfs/dbraw/zinc/47/65/19/1066476519.db2.gz CZPIFRMXXBBSPA-KRWDZBQOSA-N 0 1 453.568 4.617 20 0 JJADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3CCCc4sccc43)cc2)n1 ZINC001444561630 1066476526 /nfs/dbraw/zinc/47/65/26/1066476526.db2.gz CZPIFRMXXBBSPA-KRWDZBQOSA-N 0 1 453.568 4.617 20 0 JJADMN Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)cc1 ZINC001361166217 1066477036 /nfs/dbraw/zinc/47/70/36/1066477036.db2.gz QGXRGYRSDRUBAK-QFIPXVFZSA-N 0 1 494.709 4.647 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)o1 ZINC001361169664 1066484054 /nfs/dbraw/zinc/48/40/54/1066484054.db2.gz ITYZRBVFCOHYIO-DENIHFKCSA-N 0 1 455.578 4.540 20 0 JJADMN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC001456034499 1066485070 /nfs/dbraw/zinc/48/50/70/1066485070.db2.gz PJVFKPKSKRLXRV-UHFFFAOYSA-N 0 1 450.474 4.702 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(-c4ccccc4)ns3)CC2)c1C ZINC001456038901 1066487005 /nfs/dbraw/zinc/48/70/05/1066487005.db2.gz OQWNFOLCMGPGOM-UHFFFAOYSA-N 0 1 450.608 4.567 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3C)n2C[C@@H](C(C)C)N2CCOCC2)o1 ZINC001361171515 1066487308 /nfs/dbraw/zinc/48/73/08/1066487308.db2.gz VSRNTKQBICGYLU-GGAORHGYSA-N 0 1 451.615 4.709 20 0 JJADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 ZINC001361175783 1066493653 /nfs/dbraw/zinc/49/36/53/1066493653.db2.gz CFKZBZPQBXFYLG-UHFFFAOYSA-N 0 1 454.596 4.554 20 0 JJADMN Cc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)N(C)C)cc1Br ZINC001361175945 1066493936 /nfs/dbraw/zinc/49/39/36/1066493936.db2.gz ZENWQLUNVIZZOA-MRXNPFEDSA-N 0 1 486.336 4.910 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC001444726282 1066497436 /nfs/dbraw/zinc/49/74/36/1066497436.db2.gz FLQQLUNLGDKADP-SFHVURJKSA-N 0 1 458.578 4.568 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3ccccc3F)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361181082 1066502501 /nfs/dbraw/zinc/50/25/01/1066502501.db2.gz PKXUROZZJFNDCR-OALUTQOASA-N 0 1 455.578 4.510 20 0 JJADMN COc1ccc(CN(C(=O)c2ccn(CCC(F)(F)F)n2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001456107010 1066511094 /nfs/dbraw/zinc/51/10/94/1066511094.db2.gz LHDTWALRBBKAMP-UHFFFAOYSA-N 0 1 457.456 4.876 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079622 1066513124 /nfs/dbraw/zinc/51/31/24/1066513124.db2.gz QJHUBHJSGHSXPQ-BVFVYWQFSA-N 0 1 473.637 4.510 20 0 JJADMN O=C(NCCCCC1CCCC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001444863146 1066514205 /nfs/dbraw/zinc/51/42/05/1066514205.db2.gz WAKAEYBTNNEYMU-UHFFFAOYSA-N 0 1 450.988 4.937 20 0 JJADMN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001444890922 1066516339 /nfs/dbraw/zinc/51/63/39/1066516339.db2.gz FCFHEFPTQLJSLV-NRFANRHFSA-N 0 1 452.576 4.589 20 0 JJADMN Cc1nn(CC(=O)Nc2ccc(CN(C)C)c(F)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001444943551 1066520453 /nfs/dbraw/zinc/52/04/53/1066520453.db2.gz JDQBQOQGTCPJAT-UHFFFAOYSA-N 0 1 451.468 4.721 20 0 JJADMN CCN1CCC[C@H](NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)C1 ZINC001456158856 1066525495 /nfs/dbraw/zinc/52/54/95/1066525495.db2.gz XFTCTILZGCNFNS-AWEZNQCLSA-N 0 1 451.423 4.975 20 0 JJADMN CCCc1c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cnn1-c1cccc(C)c1 ZINC001456200816 1066536239 /nfs/dbraw/zinc/53/62/39/1066536239.db2.gz WWWGFKSJJXIAQB-UHFFFAOYSA-N 0 1 452.643 4.677 20 0 JJADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N(C)C)c12 ZINC001445080259 1066536757 /nfs/dbraw/zinc/53/67/57/1066536757.db2.gz AGLZXSBRWWKKIA-LJQANCHMSA-N 0 1 453.999 4.691 20 0 JJADMN CN(C)[C@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1 ZINC001445083017 1066537418 /nfs/dbraw/zinc/53/74/18/1066537418.db2.gz GWERJFJRWGCSNC-SNVBAGLBSA-N 0 1 453.661 4.692 20 0 JJADMN Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)c1 ZINC001445266053 1066549926 /nfs/dbraw/zinc/54/99/26/1066549926.db2.gz BBCCZNRYHCNSSL-UHFFFAOYSA-N 0 1 454.684 4.940 20 0 JJADMN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1 ZINC001445277111 1066551934 /nfs/dbraw/zinc/55/19/34/1066551934.db2.gz XCEBIEXAMIZRNR-FOJYNEPKSA-N 0 1 457.659 4.920 20 0 JJADMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)C(=O)CCC3)ccc1F ZINC001445375117 1066564406 /nfs/dbraw/zinc/56/44/06/1066564406.db2.gz TUHTXSHMDMSEAX-UHFFFAOYSA-N 0 1 452.507 4.706 20 0 JJADMN CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001546081608 1066565802 /nfs/dbraw/zinc/56/58/02/1066565802.db2.gz SODLGIORDNGUSA-QFQXNSOFSA-N 0 1 496.681 4.517 20 0 JJADMN CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001445475209 1066575533 /nfs/dbraw/zinc/57/55/33/1066575533.db2.gz YXIWCTUPORRHMQ-JOCHJYFZSA-N 0 1 457.412 4.925 20 0 JJADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590202 1066592638 /nfs/dbraw/zinc/59/26/38/1066592638.db2.gz IRQILRHZZOIGFV-GBXCKJPGSA-N 0 1 454.574 4.952 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC001361261864 1066614974 /nfs/dbraw/zinc/61/49/74/1066614974.db2.gz ZIFFOYNQFPQAAI-RTBURBONSA-N 0 1 487.645 4.502 20 0 JJADMN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001445865675 1066628457 /nfs/dbraw/zinc/62/84/57/1066628457.db2.gz WXBGDNLHHVKEQA-OAHLLOKOSA-N 0 1 450.240 4.622 20 0 JJADMN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC001361284932 1066642929 /nfs/dbraw/zinc/64/29/29/1066642929.db2.gz MNULAWFFYGZCRI-UHFFFAOYSA-N 0 1 453.675 4.552 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCc4cccc(Br)c4C3)n[nH]2)c1C ZINC001446048579 1066651394 /nfs/dbraw/zinc/65/13/94/1066651394.db2.gz LMNCFRFAUOOBQQ-ZDUSSCGKSA-N 0 1 456.388 4.822 20 0 JJADMN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001446048612 1066652099 /nfs/dbraw/zinc/65/20/99/1066652099.db2.gz PCFFKQPYMZTXAC-OAHLLOKOSA-N 0 1 457.546 4.670 20 0 JJADMN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001446048593 1066652116 /nfs/dbraw/zinc/65/21/16/1066652116.db2.gz PCFFKQPYMZTXAC-HNNXBMFYSA-N 0 1 457.546 4.670 20 0 JJADMN CC(C)(C)c1n[nH]cc1C(=O)Nc1nc(-c2ccc(I)cc2)cs1 ZINC001446091517 1066658840 /nfs/dbraw/zinc/65/88/40/1066658840.db2.gz CWDMHIQEYNQYBI-UHFFFAOYSA-N 0 1 452.321 4.688 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)c2)cc1 ZINC001446184533 1066669667 /nfs/dbraw/zinc/66/96/67/1066669667.db2.gz BWBCTAVIWKAPSP-UHFFFAOYSA-N 0 1 456.474 4.862 20 0 JJADMN CN1CC[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001446196444 1066674100 /nfs/dbraw/zinc/67/41/00/1066674100.db2.gz SLWNANPPOMGTCV-SIKLNZKXSA-N 0 1 458.603 4.513 20 0 JJADMN CC(C)(C(=O)Nc1cc(C(=O)OCc2ccccc2)[nH]n1)c1csc(-c2cccs2)n1 ZINC001456796543 1066692899 /nfs/dbraw/zinc/69/28/99/1066692899.db2.gz HSQQWNKGFOSMDZ-UHFFFAOYSA-N 0 1 452.561 4.868 20 0 JJADMN Cc1c(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cnn1-c1cc(C)ccc1C ZINC001446437217 1066705794 /nfs/dbraw/zinc/70/57/94/1066705794.db2.gz ZNNDVHOWTVDAIK-UHFFFAOYSA-N 0 1 451.324 4.654 20 0 JJADMN Cc1cc(C)cc(C2CCN(C(=O)c3cn[nH]c3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001456858333 1066707320 /nfs/dbraw/zinc/70/73/20/1066707320.db2.gz PFJTUHQKCIMABN-HXUWFJFHSA-N 0 1 452.599 4.771 20 0 JJADMN Cc1cnc([C@H](C)Cn2c(N3CCN(CCc4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001492632404 1066710504 /nfs/dbraw/zinc/71/05/04/1066710504.db2.gz DHQCODLNGVVDTP-LJQANCHMSA-N 0 1 452.672 4.509 20 0 JJADMN CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2C)CC1)NC(=O)OC(C)(C)C ZINC001545987070 1066712770 /nfs/dbraw/zinc/71/27/70/1066712770.db2.gz OPKRUCUPUZYXCZ-DEOSSOPVSA-N 0 1 496.700 4.870 20 0 JJADMN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC001446520135 1066714879 /nfs/dbraw/zinc/71/48/79/1066714879.db2.gz YPHCGKDCPPXFSV-MZNJEOGPSA-N 0 1 452.002 4.806 20 0 JJADMN COc1cccc(C(C)(C)CNC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC001446614106 1066725741 /nfs/dbraw/zinc/72/57/41/1066725741.db2.gz MCLQTAVSMFEPAI-UHFFFAOYSA-N 0 1 458.605 4.574 20 0 JJADMN COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1 ZINC001446635764 1066727127 /nfs/dbraw/zinc/72/71/27/1066727127.db2.gz KBWHXDPVDQRLDW-HSZRJFAPSA-N 0 1 453.583 4.871 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C[C@H]21 ZINC001446651628 1066729381 /nfs/dbraw/zinc/72/93/81/1066729381.db2.gz GIMXVOAZBDYAMP-NWANDNLSSA-N 0 1 450.992 4.557 20 0 JJADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001457014920 1066743461 /nfs/dbraw/zinc/74/34/61/1066743461.db2.gz LDMSVBZKUBGDDK-QMMMGPOBSA-N 0 1 457.097 4.633 20 0 JJADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001457014918 1066743504 /nfs/dbraw/zinc/74/35/04/1066743504.db2.gz LDMSVBZKUBGDDK-MRVPVSSYSA-N 0 1 457.097 4.633 20 0 JJADMN Cc1csc(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC=CCC2)c1 ZINC001492648145 1066753490 /nfs/dbraw/zinc/75/34/90/1066753490.db2.gz LBHALKIMFWHVHZ-UHFFFAOYSA-N 0 1 451.640 4.742 20 0 JJADMN C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908308 1066755779 /nfs/dbraw/zinc/75/57/79/1066755779.db2.gz IZJLRHFYHMDJTD-CQSZACIVSA-N 0 1 452.967 4.942 20 0 JJADMN COc1cc(C)c(Br)cc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446989544 1066762496 /nfs/dbraw/zinc/76/24/96/1066762496.db2.gz UUUABTWJOSXDCK-INIZCTEOSA-N 0 1 455.356 4.571 20 0 JJADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 ZINC001545991591 1066764612 /nfs/dbraw/zinc/76/46/12/1066764612.db2.gz UKXQUWMECYJRRE-FQEVSTJZSA-N 0 1 458.562 4.786 20 0 JJADMN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001545991707 1066766517 /nfs/dbraw/zinc/76/65/17/1066766517.db2.gz XJXASUSSLJPGFM-OSPHWJPCSA-N 0 1 452.002 4.806 20 0 JJADMN CCC1(CC)[C@H](NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)[C@H](C)[C@@H]1OC ZINC001447023836 1066767311 /nfs/dbraw/zinc/76/73/11/1066767311.db2.gz MDHKOHARARRVRW-RZAIGCCYSA-N 0 1 450.988 4.929 20 0 JJADMN O=C(COc1ccc(F)cc1Br)Nc1cc(Cl)cc(Br)c1O ZINC001447092638 1066772581 /nfs/dbraw/zinc/77/25/81/1066772581.db2.gz IYFCPLIHMJCBNM-UHFFFAOYSA-N 0 1 453.489 4.727 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@H](c2ccsc2)N(C)C)cs1 ZINC001492662135 1066781757 /nfs/dbraw/zinc/78/17/57/1066781757.db2.gz PMCLLRBUVHCITB-OPAMFIHVSA-N 0 1 482.679 4.901 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2C[C@@H](c2ccsc2)N(C)C)cs1 ZINC001492667086 1066792993 /nfs/dbraw/zinc/79/29/93/1066792993.db2.gz SYGDCRCTGGNJGY-IBGZPJMESA-N 0 1 458.682 4.696 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@H](c2ccco2)N(C)C)cs1 ZINC001492670438 1066800091 /nfs/dbraw/zinc/80/00/91/1066800091.db2.gz UTYOHGUOYCUHCR-LAUBAEHRSA-N 0 1 456.660 4.935 20 0 JJADMN CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)C1 ZINC001457318708 1066809877 /nfs/dbraw/zinc/80/98/77/1066809877.db2.gz RUGSCENXJSYOLP-HNNXBMFYSA-N 0 1 455.356 4.580 20 0 JJADMN CC(C)([C@H](NC(=O)c1ccc(C2N=NC(=S)O2)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001447558478 1066822049 /nfs/dbraw/zinc/82/20/49/1066822049.db2.gz MWHVJLFNNBASMP-LJQANCHMSA-N 0 1 458.534 4.649 20 0 JJADMN Cc1n[nH]c(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(C)C)CC2)n1 ZINC001492686435 1066831320 /nfs/dbraw/zinc/83/13/20/1066831320.db2.gz AYSYRMZSVMOYQY-MRXNPFEDSA-N 0 1 458.010 4.613 20 0 JJADMN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C(C)C)CC2)[nH]1 ZINC001492686435 1066831331 /nfs/dbraw/zinc/83/13/31/1066831331.db2.gz AYSYRMZSVMOYQY-MRXNPFEDSA-N 0 1 458.010 4.613 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCCCCCC2)n1 ZINC001492687534 1066832999 /nfs/dbraw/zinc/83/29/99/1066832999.db2.gz ILPRYKKKQKLSAT-UHFFFAOYSA-N 0 1 478.826 4.801 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCCCCCC2)[nH]1 ZINC001492687534 1066833002 /nfs/dbraw/zinc/83/30/02/1066833002.db2.gz ILPRYKKKQKLSAT-UHFFFAOYSA-N 0 1 478.826 4.801 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1C ZINC001457478639 1066840143 /nfs/dbraw/zinc/84/01/43/1066840143.db2.gz JNAZNLPOHAEASI-QKNQBKEWSA-N 0 1 456.608 4.893 20 0 JJADMN COc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC001457504091 1066844885 /nfs/dbraw/zinc/84/48/85/1066844885.db2.gz MGCRODMPRMBLMQ-AIYSXCBHSA-N 0 1 454.523 4.623 20 0 JJADMN COc1cc2[nH]cc(C(=O)NCC3(c4cccc(Cl)c4F)CCCC3)c(=O)c2c(OC)c1 ZINC001447715166 1066845770 /nfs/dbraw/zinc/84/57/70/1066845770.db2.gz DELXFWRXOUZQSV-UHFFFAOYSA-N 0 1 458.917 4.580 20 0 JJADMN CCc1c(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cnn1-c1ccc(Br)cc1 ZINC001457520645 1066850243 /nfs/dbraw/zinc/85/02/43/1066850243.db2.gz PMLJUDHBSALJAH-UHFFFAOYSA-N 0 1 451.328 4.543 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C)cc3C)ccc2Cl)cc1 ZINC001457532539 1066853765 /nfs/dbraw/zinc/85/37/65/1066853765.db2.gz PGDXOTGAIZSRLH-UHFFFAOYSA-N 0 1 458.967 4.696 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)Nc3nc(-c4ccccc4Cl)n[nH]3)cc21 ZINC001457555723 1066860730 /nfs/dbraw/zinc/86/07/30/1066860730.db2.gz KXWJSXSMBJHQHB-UHFFFAOYSA-N 0 1 453.930 4.604 20 0 JJADMN CC[C@]1(C)Oc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2O1 ZINC001447803274 1066862690 /nfs/dbraw/zinc/86/26/90/1066862690.db2.gz QCZAWBQAHMJPHM-HSZRJFAPSA-N 0 1 456.495 4.776 20 0 JJADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC001447917004 1066876043 /nfs/dbraw/zinc/87/60/43/1066876043.db2.gz UNAHDWPTQBCGQX-QGZVFWFLSA-N 0 1 457.481 4.969 20 0 JJADMN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC001447912407 1066876180 /nfs/dbraw/zinc/87/61/80/1066876180.db2.gz KITZKMMMFGZQOR-SFHVURJKSA-N 0 1 457.481 4.590 20 0 JJADMN O=C(OCc1ccccc1)[C@H](CNC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001447921804 1066877467 /nfs/dbraw/zinc/87/74/67/1066877467.db2.gz RCQRMUNIEUOTCX-SXOMAYOGSA-N 0 1 456.586 4.685 20 0 JJADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC001457660635 1066892027 /nfs/dbraw/zinc/89/20/27/1066892027.db2.gz PUAPWOAYFBFRMG-UHFFFAOYSA-N 0 1 450.892 4.522 20 0 JJADMN CN(C)[C@H](CNC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001448065814 1066895690 /nfs/dbraw/zinc/89/56/90/1066895690.db2.gz MVMUVKURCPEQDJ-HXUWFJFHSA-N 0 1 450.501 4.622 20 0 JJADMN CN(C)[C@@H](CNC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001448065813 1066895847 /nfs/dbraw/zinc/89/58/47/1066895847.db2.gz MVMUVKURCPEQDJ-FQEVSTJZSA-N 0 1 450.501 4.622 20 0 JJADMN CC(=O)Nc1sc(NC(=O)c2cc(Br)cc3nc[nH]c32)nc1-c1ccccc1 ZINC001448112083 1066900960 /nfs/dbraw/zinc/90/09/60/1066900960.db2.gz AJNJZYYBJHVZBR-UHFFFAOYSA-N 0 1 456.325 4.660 20 0 JJADMN Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC001457709604 1066901172 /nfs/dbraw/zinc/90/11/72/1066901172.db2.gz QIZBTVHIEJEWNM-UHFFFAOYSA-N 0 1 459.453 4.673 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC001448123646 1066901982 /nfs/dbraw/zinc/90/19/82/1066901982.db2.gz OUUQOIRFEAUCCM-VIFPVBQESA-N 0 1 453.134 4.588 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3sccc32)ccc1C ZINC001457738032 1066907652 /nfs/dbraw/zinc/90/76/52/1066907652.db2.gz GNQVAMRHDXPDJI-GOSISDBHSA-N 0 1 456.589 4.673 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001457794491 1066922622 /nfs/dbraw/zinc/92/26/22/1066922622.db2.gz ZYXBQNYERMVAOR-XMMPIXPASA-N 0 1 456.546 4.727 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001457803381 1066924103 /nfs/dbraw/zinc/92/41/03/1066924103.db2.gz OVQMXKZTLRDYHH-JOCHJYFZSA-N 0 1 457.534 4.699 20 0 JJADMN C[C@H](C1CCCCC1)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001448418545 1066925834 /nfs/dbraw/zinc/92/58/34/1066925834.db2.gz XCZYVCHCIXSPFS-OAHLLOKOSA-N 0 1 450.988 4.887 20 0 JJADMN O=C(NCCc1cccc(C(F)(F)F)n1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC001457835654 1066931035 /nfs/dbraw/zinc/93/10/35/1066931035.db2.gz SLIIUQNLDWDHRL-UHFFFAOYSA-N 0 1 453.420 4.707 20 0 JJADMN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001448478286 1066931031 /nfs/dbraw/zinc/93/10/31/1066931031.db2.gz DREJSKOMFCBWBC-HNNXBMFYSA-N 0 1 450.942 4.898 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCC[C@H]3OCC)ccc2Cl)cc1 ZINC001457869082 1066933674 /nfs/dbraw/zinc/93/36/74/1066933674.db2.gz XINFELVEAWTBFU-NHCUHLMSSA-N 0 1 481.014 4.617 20 0 JJADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)[nH]n1 ZINC001457895150 1066938012 /nfs/dbraw/zinc/93/80/12/1066938012.db2.gz SSYWLUYCOCTFBM-UHFFFAOYSA-N 0 1 459.735 4.643 20 0 JJADMN C[C@@]1(c2cccc(F)c2)CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC001457925137 1066942344 /nfs/dbraw/zinc/94/23/44/1066942344.db2.gz CCSPZLVFKWGIAO-RUZDIDTESA-N 0 1 453.583 4.575 20 0 JJADMN CC[N@H+](C)[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617164 1066942746 /nfs/dbraw/zinc/94/27/46/1066942746.db2.gz BPSFVQJUIWFTBT-QHCPKHFHSA-N 0 1 455.555 4.566 20 0 JJADMN CC[N@@H+](C)[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617164 1066942752 /nfs/dbraw/zinc/94/27/52/1066942752.db2.gz BPSFVQJUIWFTBT-QHCPKHFHSA-N 0 1 455.555 4.566 20 0 JJADMN Cc1[nH]c(SCC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)nc1Cc1ccccc1 ZINC001457936775 1066943732 /nfs/dbraw/zinc/94/37/32/1066943732.db2.gz NPCOPFDDRMTEJX-GOSISDBHSA-N 0 1 450.391 4.558 20 0 JJADMN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457956839 1066948488 /nfs/dbraw/zinc/94/84/88/1066948488.db2.gz ZNONTVZRATXTBK-IJEWVQPXSA-N 0 1 453.391 4.960 20 0 JJADMN COc1ccc([C@@H](NC(C)C)C(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)cc1 ZINC001457965954 1066949659 /nfs/dbraw/zinc/94/96/59/1066949659.db2.gz CLFLZLQUCZXOEZ-RUZDIDTESA-N 0 1 458.562 4.780 20 0 JJADMN COc1ccc([C@@H](NC(C)C)C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC001457965697 1066949743 /nfs/dbraw/zinc/94/97/43/1066949743.db2.gz BLMXGMGJLALZMA-QGZVFWFLSA-N 0 1 450.486 4.910 20 0 JJADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001458000124 1066955204 /nfs/dbraw/zinc/95/52/04/1066955204.db2.gz LSPHVGHUNCKRLL-LGVFNWMJSA-N 0 1 451.611 4.764 20 0 JJADMN C[C@@H]1CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)CN1Cc1ccccc1 ZINC001458000124 1066955213 /nfs/dbraw/zinc/95/52/13/1066955213.db2.gz LSPHVGHUNCKRLL-LGVFNWMJSA-N 0 1 451.611 4.764 20 0 JJADMN Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725581 1066982254 /nfs/dbraw/zinc/98/22/54/1066982254.db2.gz YTBKYFSUPJLLHT-VQIMIIECSA-N 0 1 458.484 4.519 20 0 JJADMN O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1)c1cc2c(cn1)OCCC2 ZINC001449135929 1066984980 /nfs/dbraw/zinc/98/49/80/1066984980.db2.gz VQHCBAHDEBQXOP-UHFFFAOYSA-N 0 1 458.301 4.924 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCCN(c4ccccc4Cl)CC3)n[nH]2)c1C ZINC001449168136 1066987130 /nfs/dbraw/zinc/98/71/30/1066987130.db2.gz DFDMYRIURISJDJ-INIZCTEOSA-N 0 1 455.006 4.867 20 0 JJADMN CC[C@@H](c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545731245 1066990023 /nfs/dbraw/zinc/99/00/23/1066990023.db2.gz LVOHJXHTZNXRDY-CEMLEFRQSA-N 0 1 451.615 4.720 20 0 JJADMN CC[C@@H](c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545731247 1066990057 /nfs/dbraw/zinc/99/00/57/1066990057.db2.gz LVOHJXHTZNXRDY-KSEOMHKRSA-N 0 1 451.615 4.720 20 0 JJADMN CNS(=O)(=O)c1cc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)ccc1O ZINC001449237602 1066992228 /nfs/dbraw/zinc/99/22/28/1066992228.db2.gz ACYSGWHOAZCLLE-UHFFFAOYSA-N 0 1 457.360 4.588 20 0 JJADMN COc1cccc([C@@H](C)N2CCN(c3ccnc(-c4ccc(Br)cc4)n3)CC2)c1 ZINC001458166839 1066994400 /nfs/dbraw/zinc/99/44/00/1066994400.db2.gz PHDPMNXJOBUNCD-QGZVFWFLSA-N 0 1 453.384 4.798 20 0 JJADMN O=C(NCc1cccc(Oc2cccc3ccccc32)c1)c1nc[nH]c(=O)c1Br ZINC001449306497 1066997111 /nfs/dbraw/zinc/99/71/11/1066997111.db2.gz ZAGYZCDAAKRSBA-UHFFFAOYSA-N 0 1 450.292 4.820 20 0 JJADMN CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735942 1066999197 /nfs/dbraw/zinc/99/91/97/1066999197.db2.gz IXCGEWPFAIMIHZ-AOHZBQACSA-N 0 1 453.675 4.944 20 0 JJADMN CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735944 1066999387 /nfs/dbraw/zinc/99/93/87/1066999387.db2.gz IXCGEWPFAIMIHZ-WPFOTENUSA-N 0 1 453.675 4.944 20 0 JJADMN CN(Cc1ccccc1)C1CN(C(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001449333643 1067000675 /nfs/dbraw/zinc/00/06/75/1067000675.db2.gz UNORVMQNGYTMIN-HSZRJFAPSA-N 0 1 455.643 4.537 20 0 JJADMN CN(Cc1ccccc1)C1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC001449331830 1067000837 /nfs/dbraw/zinc/00/08/37/1067000837.db2.gz LVQNWVFARYTYAE-UHFFFAOYSA-N 0 1 452.352 4.593 20 0 JJADMN CC[C@H](c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN(CC)CCC(F)(F)F)c1ccccc1 ZINC001545743055 1067009465 /nfs/dbraw/zinc/00/94/65/1067009465.db2.gz CTZQGHWSKRPXLY-URXFXBBRSA-N 0 1 479.591 4.711 20 0 JJADMN CNc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)c(Cl)c1 ZINC001449608600 1067017531 /nfs/dbraw/zinc/01/75/31/1067017531.db2.gz NIEIGNXUXMOMLE-ZDUSSCGKSA-N 0 1 451.796 4.537 20 0 JJADMN Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(Br)ccc3N3CCN(C)C[C@@H]3C)cc21 ZINC001449609642 1067017786 /nfs/dbraw/zinc/01/77/86/1067017786.db2.gz RSURTCVQGIFJQV-AWEZNQCLSA-N 0 1 459.363 4.771 20 0 JJADMN CCC[C@H]1CN(C(=O)[C@H](OC)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001458273331 1067017991 /nfs/dbraw/zinc/01/79/91/1067017991.db2.gz CHFZUGPKNQEWOU-FXAWDEMLSA-N 0 1 451.430 4.711 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545749819 1067021147 /nfs/dbraw/zinc/02/11/47/1067021147.db2.gz UMFASTBTUGXRGB-MDNUFGMLSA-N 0 1 451.615 4.579 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@@H](C)C1)N1CCOCC1 ZINC001545751735 1067025482 /nfs/dbraw/zinc/02/54/82/1067025482.db2.gz KMHXEPFTBYDOHT-DFCKQENNSA-N 0 1 483.701 4.572 20 0 JJADMN CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCO[C@@H](C)C1)N1CCOCC1 ZINC001545751737 1067025632 /nfs/dbraw/zinc/02/56/32/1067025632.db2.gz KMHXEPFTBYDOHT-HDYLNDSGSA-N 0 1 483.701 4.572 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545753876 1067029142 /nfs/dbraw/zinc/02/91/42/1067029142.db2.gz ADOHVIVDXZWZOV-FYYLOGMGSA-N 0 1 471.715 4.510 20 0 JJADMN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 ZINC001449890476 1067034099 /nfs/dbraw/zinc/03/40/99/1067034099.db2.gz GAASTPQNILGAMM-HSZRJFAPSA-N 0 1 458.537 4.759 20 0 JJADMN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)cc1 ZINC001449891257 1067034192 /nfs/dbraw/zinc/03/41/92/1067034192.db2.gz IXRNNWGYTOEYTG-UHFFFAOYSA-N 0 1 451.523 4.727 20 0 JJADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 ZINC001449890489 1067034220 /nfs/dbraw/zinc/03/42/20/1067034220.db2.gz GAASTPQNILGAMM-QHCPKHFHSA-N 0 1 458.537 4.759 20 0 JJADMN Cc1c(Br)c[nH]c(=O)c1C(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 ZINC001449891467 1067034655 /nfs/dbraw/zinc/03/46/55/1067034655.db2.gz JZUJAAGJZHGBST-UHFFFAOYSA-N 0 1 455.287 4.717 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)CC1 ZINC001449904473 1067036439 /nfs/dbraw/zinc/03/64/39/1067036439.db2.gz WYQNBWZJFQETJX-UHFFFAOYSA-N 0 1 452.530 4.878 20 0 JJADMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CC[C@@H](F)C1 ZINC001449984388 1067040353 /nfs/dbraw/zinc/04/03/53/1067040353.db2.gz KMICZHIDJHRGIM-LLVKDONJSA-N 0 1 451.734 4.632 20 0 JJADMN O=C(NC[C@@H]1CCCCN1CCO)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021659 1067042419 /nfs/dbraw/zinc/04/24/19/1067042419.db2.gz OMVSJAILOYNOCK-RXVVDRJESA-N 0 1 453.435 4.790 20 0 JJADMN CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545761194 1067044591 /nfs/dbraw/zinc/04/45/91/1067044591.db2.gz OFGNRDNUJCGORB-MFYODDQASA-N 0 1 497.728 4.959 20 0 JJADMN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001546019107 1067045149 /nfs/dbraw/zinc/04/51/49/1067045149.db2.gz OLDSVRWKZSVYKY-IVGWJTKZSA-N 0 1 487.664 4.724 20 0 JJADMN CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545761839 1067045774 /nfs/dbraw/zinc/04/57/74/1067045774.db2.gz XQWOQSZSBVWQHA-CQOQZXRMSA-N 0 1 465.642 4.967 20 0 JJADMN Cc1cc(Br)ccc1SCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001450075325 1067047377 /nfs/dbraw/zinc/04/73/77/1067047377.db2.gz MZQAOBCXAZWIGU-UHFFFAOYSA-N 0 1 454.353 4.822 20 0 JJADMN Cc1c(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)cnn1CCC(C)C ZINC001450131940 1067052021 /nfs/dbraw/zinc/05/20/21/1067052021.db2.gz CLECQCJIGKUZSH-AREMUKBSSA-N 0 1 459.638 4.940 20 0 JJADMN CSC[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)C1 ZINC001450157668 1067055354 /nfs/dbraw/zinc/05/53/54/1067055354.db2.gz MQIPTIXGMXGWRS-INIZCTEOSA-N 0 1 453.029 4.664 20 0 JJADMN O=C(c1cccc(I)c1O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001450160276 1067056602 /nfs/dbraw/zinc/05/66/02/1067056602.db2.gz SOUSEFZYWWRMKD-CYBMUJFWSA-N 0 1 459.736 4.657 20 0 JJADMN CCN1C[C@@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@H]1C ZINC001458431120 1067059099 /nfs/dbraw/zinc/05/90/99/1067059099.db2.gz PDDNFNCYIUNFIL-IAGOWNOFSA-N 0 1 458.400 4.565 20 0 JJADMN Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458444639 1067061885 /nfs/dbraw/zinc/06/18/85/1067061885.db2.gz AJDFYQDMWPNBDW-IIBYNOLFSA-N 0 1 453.783 4.902 20 0 JJADMN Cc1ccc(C2(C(=O)NC[C@@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)CCOCC2)cc1C ZINC001458445441 1067062593 /nfs/dbraw/zinc/06/25/93/1067062593.db2.gz CGVYLKKBNCABLY-GBXCKJPGSA-N 0 1 459.005 4.953 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448250 1067063825 /nfs/dbraw/zinc/06/38/25/1067063825.db2.gz NOGCCJLWHBAHSS-UGKGYDQZSA-N 0 1 459.993 4.564 20 0 JJADMN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001458472059 1067070985 /nfs/dbraw/zinc/07/09/85/1067070985.db2.gz XLNWTHUUMPZCEZ-SFHVURJKSA-N 0 1 458.465 4.810 20 0 JJADMN C[C@H](F)CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC001450494544 1067085325 /nfs/dbraw/zinc/08/53/25/1067085325.db2.gz VPNIVRIVFNPUAZ-JTQLQIEISA-N 0 1 453.750 4.926 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3ccc4cccc(Br)c4n3)[nH]n2)cc1OC ZINC001545790031 1067087129 /nfs/dbraw/zinc/08/71/29/1067087129.db2.gz BEJNHFZXYPIFNV-UHFFFAOYSA-N 0 1 453.296 4.657 20 0 JJADMN CCC(CC)(Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)CC(C)(C)C1)OC ZINC001545793108 1067091730 /nfs/dbraw/zinc/09/17/30/1067091730.db2.gz WQYHGWGNVQBXST-XMMPIXPASA-N 0 1 496.744 4.720 20 0 JJADMN CCC(CC)(Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1)OC ZINC001545793107 1067091790 /nfs/dbraw/zinc/09/17/90/1067091790.db2.gz WQYHGWGNVQBXST-DEOSSOPVSA-N 0 1 496.744 4.720 20 0 JJADMN CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1)N1CCOCC1 ZINC001545803687 1067114097 /nfs/dbraw/zinc/11/40/97/1067114097.db2.gz SDUPJRDTALOLHE-SANMLTNESA-N 0 1 483.701 4.895 20 0 JJADMN CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1)N1CCOCC1 ZINC001545803686 1067114165 /nfs/dbraw/zinc/11/41/65/1067114165.db2.gz SDUPJRDTALOLHE-AREMUKBSSA-N 0 1 483.701 4.895 20 0 JJADMN COc1ccc(-n2c(SCc3nn[nH]n3)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC001458726813 1067119818 /nfs/dbraw/zinc/11/98/18/1067119818.db2.gz DEGGRNLDWSUEDY-UHFFFAOYSA-N 0 1 455.975 4.699 20 0 JJADMN CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)N1CCOCC1 ZINC001545805914 1067122138 /nfs/dbraw/zinc/12/21/38/1067122138.db2.gz UVGLJXQSQZHSSW-KOSHJBKYSA-N 0 1 475.628 4.940 20 0 JJADMN CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)N1CCOCC1 ZINC001545805915 1067122224 /nfs/dbraw/zinc/12/22/24/1067122224.db2.gz UVGLJXQSQZHSSW-MHECFPHRSA-N 0 1 475.628 4.940 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccsc1)N1CCOCC1 ZINC001545807845 1067128642 /nfs/dbraw/zinc/12/86/42/1067128642.db2.gz ORORBRIKHFNEHL-NRFANRHFSA-N 0 1 489.089 4.828 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1)N1CCOCC1 ZINC001545808298 1067132914 /nfs/dbraw/zinc/13/29/14/1067132914.db2.gz WGPJIZRCUKTXLH-ZJSXRUAMSA-N 0 1 499.700 4.726 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(F)(F)C1)N1CCOCC1 ZINC001545808292 1067132964 /nfs/dbraw/zinc/13/29/64/1067132964.db2.gz WFZQIQLIBTURPO-HXUWFJFHSA-N 0 1 498.018 4.590 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(F)(F)F)N1CCOCC1 ZINC001545808464 1067135021 /nfs/dbraw/zinc/13/50/21/1067135021.db2.gz ZJFSUEQXZDVHQR-LJQANCHMSA-N 0 1 491.961 4.873 20 0 JJADMN O=C(C=Cc1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC001450910808 1067135445 /nfs/dbraw/zinc/13/54/45/1067135445.db2.gz KRUUNHDPRWSNDM-HSSRVXSRSA-N 0 1 457.361 4.580 20 0 JJADMN Nc1cn(Cc2ccc(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)cc2)nc1C(F)(F)F ZINC001545811255 1067139541 /nfs/dbraw/zinc/13/95/41/1067139541.db2.gz QKLDNKQYKQQPFD-UHFFFAOYSA-N 0 1 450.371 4.599 20 0 JJADMN O=C(CCC[S@@](=O)c1ccc(Br)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001545811140 1067139546 /nfs/dbraw/zinc/13/95/46/1067139546.db2.gz NFJMGAUDJFNLQA-HHHXNRCGSA-N 0 1 456.312 4.790 20 0 JJADMN CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccc(F)c(F)c1)N1CCOCC1 ZINC001545815049 1067144186 /nfs/dbraw/zinc/14/41/86/1067144186.db2.gz LNPNUBFELKIOMM-QHCPKHFHSA-N 0 1 461.601 4.597 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1)[NH+](C)C ZINC001545815680 1067145221 /nfs/dbraw/zinc/14/52/21/1067145221.db2.gz TXCBURGJMAEFDP-DQEYMECFSA-N 0 1 497.684 4.691 20 0 JJADMN CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC001545816093 1067145990 /nfs/dbraw/zinc/14/59/90/1067145990.db2.gz ZVGCWIWAKYVRCX-QFIPXVFZSA-N 0 1 479.591 4.736 20 0 JJADMN CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C(C)C)C1)N1CCOCC1 ZINC001545820374 1067159245 /nfs/dbraw/zinc/15/92/45/1067159245.db2.gz WIGPLATXRXZPSY-XZOQPEGZSA-N 0 1 491.771 4.645 20 0 JJADMN CCC(CC)[C@@H](Cn1c(N2CC[C@@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545820500 1067159861 /nfs/dbraw/zinc/15/98/61/1067159861.db2.gz YQAAJDBRDXWQDM-WIOPSUGQSA-N 0 1 485.692 4.921 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1C)N1CCOCC1 ZINC001545822190 1067163667 /nfs/dbraw/zinc/16/36/67/1067163667.db2.gz VXJANEXJXUIAAX-PESUVLPXSA-N 0 1 475.722 4.568 20 0 JJADMN CCc1csc(-n2cc(C(=O)N[C@@H](c3ccc(F)c(F)c3)C(C)(C)N3CCCC3)cn2)n1 ZINC001458841209 1067168219 /nfs/dbraw/zinc/16/82/19/1067168219.db2.gz YFWDWQFBEKSDSS-FQEVSTJZSA-N 0 1 459.566 4.515 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001545830628 1067182241 /nfs/dbraw/zinc/18/22/41/1067182241.db2.gz YXGOGWPYCBTOAW-RLLQIKCJSA-N 0 1 460.692 4.576 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC001451724189 1067188401 /nfs/dbraw/zinc/18/84/01/1067188401.db2.gz JLCPFWYIAFBEOM-MRXNPFEDSA-N 0 1 452.942 4.826 20 0 JJADMN O=C(c1cc(Cl)nc(Cl)c1)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC001451915246 1067198029 /nfs/dbraw/zinc/19/80/29/1067198029.db2.gz CBZNOTNWYYLCJD-QGZVFWFLSA-N 0 1 452.139 4.662 20 0 JJADMN O=C(Cc1csc(CCC(F)(F)F)n1)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC001451914394 1067198241 /nfs/dbraw/zinc/19/82/41/1067198241.db2.gz ALCLAZKQVYXONL-LJQANCHMSA-N 0 1 454.905 4.731 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001451920377 1067198667 /nfs/dbraw/zinc/19/86/67/1067198667.db2.gz NRXHKSVEMULNOH-CDXJDZJCSA-N 0 1 458.990 4.621 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001545848672 1067200468 /nfs/dbraw/zinc/20/04/68/1067200468.db2.gz DRVIMOXNDDUHTG-YUSVDLJSSA-N 0 1 496.700 4.523 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001545849949 1067204687 /nfs/dbraw/zinc/20/46/87/1067204687.db2.gz XAUYDSPBKYTWPH-TYBLODHISA-N 0 1 480.701 4.516 20 0 JJADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)[nH]1 ZINC001458952504 1067206785 /nfs/dbraw/zinc/20/67/85/1067206785.db2.gz HMCZIGZTJQSLBF-UHFFFAOYSA-N 0 1 450.326 4.674 20 0 JJADMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c1C ZINC001452309117 1067219387 /nfs/dbraw/zinc/21/93/87/1067219387.db2.gz BEUVJAPEKMKIKG-BEFAXECRSA-N 0 1 452.580 4.820 20 0 JJADMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c1C ZINC001452309209 1067219402 /nfs/dbraw/zinc/21/94/02/1067219402.db2.gz BEUVJAPEKMKIKG-HNAYVOBHSA-N 0 1 452.580 4.820 20 0 JJADMN O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001546039122 1067226377 /nfs/dbraw/zinc/22/63/77/1067226377.db2.gz NAZOVSPKTNXQAG-XZOQPEGZSA-N 0 1 455.480 4.564 20 0 JJADMN O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001546039122 1067226386 /nfs/dbraw/zinc/22/63/86/1067226386.db2.gz NAZOVSPKTNXQAG-XZOQPEGZSA-N 0 1 455.480 4.564 20 0 JJADMN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)C)CC2)O1 ZINC001546044645 1067254669 /nfs/dbraw/zinc/25/46/69/1067254669.db2.gz DLHLPEMFIQNGFS-UWUFEASWSA-N 0 1 476.065 4.950 20 0 JJADMN COc1ccc([C@H](CNC(=O)CSc2cc(C(F)(F)F)ccn2)N2CCCCC2)cc1 ZINC001459187283 1067268628 /nfs/dbraw/zinc/26/86/28/1067268628.db2.gz OZKNRWLWEJXEEP-IBGZPJMESA-N 0 1 453.530 4.545 20 0 JJADMN Cc1cc(C)c(/C=C\C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)cc1C ZINC001453125658 1067281481 /nfs/dbraw/zinc/28/14/81/1067281481.db2.gz KCKMXIPGUXYJGY-CSFCRNIUSA-N 0 1 462.487 4.827 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)N3CCC[C@]3(C)Cc3ccccc3Cl)c2C1 ZINC001453226199 1067290252 /nfs/dbraw/zinc/29/02/52/1067290252.db2.gz MHFVTMIRGRFFPQ-XMMPIXPASA-N 0 1 458.990 4.594 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CCOc4ccc(Br)cc43)[nH]n2)c1C ZINC001453259583 1067291277 /nfs/dbraw/zinc/29/12/77/1067291277.db2.gz MRSZHJYBOVNKSA-GFCCVEGCSA-N 0 1 458.360 4.663 20 0 JJADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C4CCN(C(=O)OC(C)(C)C)CC4)C3)n[nH]2)cc1 ZINC001453341704 1067299449 /nfs/dbraw/zinc/29/94/49/1067299449.db2.gz SJXNUHPGSYSPLL-OAQYLSRUSA-N 0 1 452.599 4.884 20 0 JJADMN CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001453342408 1067299534 /nfs/dbraw/zinc/29/95/34/1067299534.db2.gz UXSFYEWKDYHFMW-HNNXBMFYSA-N 0 1 450.366 4.554 20 0 JJADMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001453342408 1067299539 /nfs/dbraw/zinc/29/95/39/1067299539.db2.gz UXSFYEWKDYHFMW-HNNXBMFYSA-N 0 1 450.366 4.554 20 0 JJADMN Cc1cc(C)c(-c2csc(NC(=O)CN3CCN(CCc4cccs4)CC3)n2)c(C)c1 ZINC001459350178 1067300439 /nfs/dbraw/zinc/30/04/39/1067300439.db2.gz PPBOJGRAPWPSTQ-UHFFFAOYSA-N 0 1 454.665 4.596 20 0 JJADMN Cc1ccc(-c2cc(C(=O)Nc3ccc([C@H]4CN(C(=O)OC(C)(C)C)CCO4)cc3)[nH]n2)o1 ZINC001453393271 1067303217 /nfs/dbraw/zinc/30/32/17/1067303217.db2.gz DDZVNYNHTYMOCL-OAQYLSRUSA-N 0 1 452.511 4.539 20 0 JJADMN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1OCC ZINC001453395386 1067303469 /nfs/dbraw/zinc/30/34/69/1067303469.db2.gz HAZZRSKKHXXMJJ-FQEVSTJZSA-N 0 1 452.595 4.565 20 0 JJADMN Cc1ccc(CN2CCCN(C(=O)CN(Cc3ccccc3)Cc3ccccc3F)CC2)cc1 ZINC001459361525 1067303482 /nfs/dbraw/zinc/30/34/82/1067303482.db2.gz HHJRXRFQLYDUNF-UHFFFAOYSA-N 0 1 459.609 4.871 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@H](c4cccc(F)c4)OCC3(C)C)n[nH]2)c1C ZINC001453480019 1067308162 /nfs/dbraw/zinc/30/81/62/1067308162.db2.gz RWYOZAGCTHEZAQ-OYHNWAKOSA-N 0 1 453.562 4.992 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001453490771 1067308806 /nfs/dbraw/zinc/30/88/06/1067308806.db2.gz CSDCYDQGYORASY-DEOSSOPVSA-N 0 1 451.611 4.797 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CCN1Cc1ccccc1 ZINC001453502475 1067309878 /nfs/dbraw/zinc/30/98/78/1067309878.db2.gz XERZLYDLTAUXRO-QHCPKHFHSA-N 0 1 455.643 4.678 20 0 JJADMN CC(C)[C@H]1CN(C(=O)Cn2c3ccccc3nc2SC(F)F)CCN1Cc1ccccc1 ZINC001453498380 1067310114 /nfs/dbraw/zinc/31/01/14/1067310114.db2.gz SVNCYKFYAUVAJW-OAQYLSRUSA-N 0 1 458.578 4.720 20 0 JJADMN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001459394908 1067312639 /nfs/dbraw/zinc/31/26/39/1067312639.db2.gz ZVSXOSJWKZXBKY-JPYJTQIMSA-N 0 1 452.599 4.673 20 0 JJADMN C[C@H](C(=O)Nc1ccc(I)cc1)N(C)CCc1cccc2ccccc21 ZINC001459396670 1067313411 /nfs/dbraw/zinc/31/34/11/1067313411.db2.gz STNTYRMUCGSZRL-MRXNPFEDSA-N 0 1 458.343 4.946 20 0 JJADMN CC(C)OCC[C@@H](O)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001459422732 1067320969 /nfs/dbraw/zinc/32/09/69/1067320969.db2.gz JPRFYDURNYBMRY-HSZRJFAPSA-N 0 1 451.438 4.876 20 0 JJADMN O=C(N[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453682516 1067322054 /nfs/dbraw/zinc/32/20/54/1067322054.db2.gz NELLKJIXHNNVDV-HUUCEWRRSA-N 0 1 465.522 4.548 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546108785 1067322978 /nfs/dbraw/zinc/32/29/78/1067322978.db2.gz KWFVEVCGEQSDID-WOJBJXKFSA-N 0 1 475.628 4.663 20 0 JJADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001453739667 1067325717 /nfs/dbraw/zinc/32/57/17/1067325717.db2.gz OKDFQUZWNJSASQ-HSZRJFAPSA-N 0 1 454.412 4.842 20 0 JJADMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001453739667 1067325729 /nfs/dbraw/zinc/32/57/29/1067325729.db2.gz OKDFQUZWNJSASQ-HSZRJFAPSA-N 0 1 454.412 4.842 20 0 JJADMN COc1cc2[nH]cc(C(=O)N(Cc3ccccc3)[C@@H](C)Cc3ccccc3)c(=O)c2c(OC)c1 ZINC001453829246 1067331594 /nfs/dbraw/zinc/33/15/94/1067331594.db2.gz XCQKHTJGKNQWKN-IBGZPJMESA-N 0 1 456.542 4.819 20 0 JJADMN CNc1ccc(Cl)c(C(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)cnn2C(C)C)c1 ZINC001453838704 1067331986 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QVSPVBOXVWSITA-UHFFFAOYSA-N 0 1 454.493 4.622 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546110466 1067362754 /nfs/dbraw/zinc/36/27/54/1067362754.db2.gz AJGUNULLUICKNY-RTBURBONSA-N 0 1 474.719 4.538 20 0 JJADMN O=C(CN1CCCCC[C@H]1C[C@H](O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F ZINC001459611790 1067363788 /nfs/dbraw/zinc/36/37/88/1067363788.db2.gz YHYUYFBBTVGMRJ-HKUYNNGSSA-N 0 1 458.521 4.891 20 0 JJADMN COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1 ZINC001459628482 1067368342 /nfs/dbraw/zinc/36/83/42/1067368342.db2.gz GSWQTQJRMARAIA-IRLDBZIGSA-N 0 1 457.574 4.839 20 0 JJADMN Cc1ccc(CN(C(=O)CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687411 1067383890 /nfs/dbraw/zinc/38/38/90/1067383890.db2.gz PUQMHQVPYDKXRA-RPWUZVMVSA-N 0 1 455.643 4.740 20 0 JJADMN CC[C@@H](C)N(CCC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459690859 1067385023 /nfs/dbraw/zinc/38/50/23/1067385023.db2.gz ALWJKQLDBKPTQK-OAHLLOKOSA-N 0 1 457.372 4.727 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20 0 JJADMN CC(C)N1C(=O)C[C@@H](N[C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459954305 1067505920 /nfs/dbraw/zinc/50/59/20/1067505920.db2.gz YVVSOHHNZQNRKI-DRWCTHJISA-N 0 1 452.357 4.800 20 0 JJADMN CC[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1cc(F)cc(Br)c1 ZINC001459963446 1067509311 /nfs/dbraw/zinc/50/93/11/1067509311.db2.gz OZWLSKGPNPGDIH-MRXNPFEDSA-N 0 1 450.377 4.598 20 0 JJADMN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990746 1067517535 /nfs/dbraw/zinc/51/75/35/1067517535.db2.gz DIEGMIBKCVTCSY-LAJNKCICSA-N 0 1 455.318 4.655 20 0 JJADMN COc1cc(OC)cc(C2(F)CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1 ZINC001460013718 1067527207 /nfs/dbraw/zinc/52/72/07/1067527207.db2.gz BIDWNUGTGDJTNW-UHFFFAOYSA-N 0 1 452.526 4.688 20 0 JJADMN CCOC(=O)[C@@]1(C(C)C)CCN([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018861 1067530158 /nfs/dbraw/zinc/53/01/58/1067530158.db2.gz KLMHRPMAIJLLHK-CLOONOSVSA-N 0 1 455.624 4.612 20 0 JJADMN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001460020129 1067531183 /nfs/dbraw/zinc/53/11/83/1067531183.db2.gz UMFQPHDZNRWCLJ-KRWDZBQOSA-N 0 1 459.805 4.585 20 0 JJADMN C[C@@H]1CCc2c(sc3nc(CN[C@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024526 1067532383 /nfs/dbraw/zinc/53/23/83/1067532383.db2.gz XAMLXLBOBVSQLO-PBHICJAKSA-N 0 1 459.660 4.524 20 0 JJADMN COC(=O)c1cccc(-c2nc(CN[C@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)c1 ZINC001460030494 1067533931 /nfs/dbraw/zinc/53/39/31/1067533931.db2.gz NCGXEBRFLKMOEM-HXUWFJFHSA-N 0 1 459.612 4.770 20 0 JJADMN FC(F)(F)c1ccc(C[C@]2(NCc3cc4c(cc3Br)OCO4)CCOC2)cc1 ZINC001460068469 1067545076 /nfs/dbraw/zinc/54/50/76/1067545076.db2.gz IDYIJHOSAZPKHM-LJQANCHMSA-N 0 1 458.274 4.688 20 0 JJADMN CCOc1cccc(/C=C\C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)c1 ZINC001460096369 1067553953 /nfs/dbraw/zinc/55/39/53/1067553953.db2.gz RJZGCVLLGOCEEI-NLZINVLXSA-N 0 1 458.400 4.640 20 0 JJADMN CCOC(=O)C1(C(=O)c2ccccc2)CCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC001460130962 1067561313 /nfs/dbraw/zinc/56/13/13/1067561313.db2.gz LKBVHQGQAZJMBZ-UHFFFAOYSA-N 0 1 458.558 4.697 20 0 JJADMN CCC1(CC)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nc(C)n[nH]2)CCS1 ZINC001546114198 1067564580 /nfs/dbraw/zinc/56/45/80/1067564580.db2.gz YTQOSEWHBANFLX-LJQANCHMSA-N 0 1 483.686 4.816 20 0 JJADMN CCC1(CC)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)[nH]2)CCS1 ZINC001546114198 1067564587 /nfs/dbraw/zinc/56/45/87/1067564587.db2.gz YTQOSEWHBANFLX-LJQANCHMSA-N 0 1 483.686 4.816 20 0 JJADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC001460149074 1067565283 /nfs/dbraw/zinc/56/52/83/1067565283.db2.gz SRWHBARQYXUYNV-CYFREDJKSA-N 0 1 450.558 4.815 20 0 JJADMN O=C(CN(Cc1ccccc1)C1(CO)CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460156233 1067566351 /nfs/dbraw/zinc/56/63/51/1067566351.db2.gz AWWCNFVVGVCSLB-UHFFFAOYSA-N 0 1 457.546 4.834 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155689 1067566452 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/nfs/dbraw/zinc/61/84/84/1067618484.db2.gz JETZBQXYKJYPDP-YSSFQJQWSA-N 0 1 476.474 4.782 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCS[C@@H](c3ccccc3)C2)c2ccccc2)cc1 ZINC001460362405 1067618659 /nfs/dbraw/zinc/61/86/59/1067618659.db2.gz OWSONFACWFNPFA-LOSJGSFVSA-N 0 1 452.645 4.805 20 0 JJADMN O=C(N1C[C@H](NCc2nc(-c3c(F)cccc3F)cs2)Cc2ccccc21)C(F)(F)F ZINC001460376638 1067621729 /nfs/dbraw/zinc/62/17/29/1067621729.db2.gz WTJPZKARVOGNOG-CYBMUJFWSA-N 0 1 453.436 4.698 20 0 JJADMN CC(C)(C)OC(=O)CCC1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC001460391862 1067624964 /nfs/dbraw/zinc/62/49/64/1067624964.db2.gz SEZBPZQNXDKCNU-UHFFFAOYSA-N 0 1 454.405 4.944 20 0 JJADMN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cc3n(n2)CCCC3)cc1 ZINC001460393598 1067625778 /nfs/dbraw/zinc/62/57/78/1067625778.db2.gz VQVUCFWDUPHVEZ-ZEQRLZLVSA-N 0 1 454.615 4.501 20 0 JJADMN CCC1(CC)CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001546116200 1067632160 /nfs/dbraw/zinc/63/21/60/1067632160.db2.gz LFLOFSZRQWJKAB-OAQYLSRUSA-N 0 1 488.105 4.747 20 0 JJADMN CCOC(=O)c1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)sc2c1CCCC2 ZINC001460482114 1067642779 /nfs/dbraw/zinc/64/27/79/1067642779.db2.gz SLAYXNWBJGLWNT-JKSUJKDBSA-N 0 1 456.608 4.806 20 0 JJADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCC(Oc4cccc(F)c4)CC3)ccc2c1 ZINC001460490850 1067644877 /nfs/dbraw/zinc/64/48/77/1067644877.db2.gz OTJJNORKFVVVFY-LJQANCHMSA-N 0 1 450.554 4.878 20 0 JJADMN Cc1ccccc1[C@@H](C)N(C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001460562968 1067656469 /nfs/dbraw/zinc/65/64/69/1067656469.db2.gz XKCDQKBDXZYYBU-HXUWFJFHSA-N 0 1 457.640 4.580 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](CCN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC001460566625 1067657687 /nfs/dbraw/zinc/65/76/87/1067657687.db2.gz LAEQQGHVYSJMTI-NSISKUIASA-N 0 1 453.421 4.594 20 0 JJADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)Cc1ccc(Br)cc1F ZINC001460581705 1067661242 /nfs/dbraw/zinc/66/12/42/1067661242.db2.gz TZCGCECQQMUZRZ-UHFFFAOYSA-N 0 1 459.363 4.851 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647533 1067685302 /nfs/dbraw/zinc/68/53/02/1067685302.db2.gz ACEYUVUWDQNDRO-JYFHCDHNSA-N 0 1 458.549 4.743 20 0 JJADMN CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC001460659422 1067691374 /nfs/dbraw/zinc/69/13/74/1067691374.db2.gz HQPXIRFDOREJIS-BKMJKUGQSA-N 0 1 451.588 4.623 20 0 JJADMN Cc1ccc([C@H]2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697443 1067703659 /nfs/dbraw/zinc/70/36/59/1067703659.db2.gz OZUKFHUQKZHWMT-NQIIRXRSSA-N 0 1 459.512 4.869 20 0 JJADMN C[C@H](C(=O)Nc1cccc(Br)c1)N(C)CCCCCCNC(=O)OC(C)(C)C ZINC001460739944 1067712867 /nfs/dbraw/zinc/71/28/67/1067712867.db2.gz CCNUEWCHHASASI-MRXNPFEDSA-N 0 1 456.425 4.793 20 0 JJADMN O=C1[C@H](N[C@@H]2CCOc3ccc(Br)cc32)CCN1c1ccc(C(F)(F)F)cc1 ZINC001460746339 1067714584 /nfs/dbraw/zinc/71/45/84/1067714584.db2.gz AIRVKTWBBUXFPJ-IAGOWNOFSA-N 0 1 455.274 4.687 20 0 JJADMN Cc1ccc(CN(C(=O)C[N@H+]2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C2CC2)cc1 ZINC001460778269 1067721598 /nfs/dbraw/zinc/72/15/98/1067721598.db2.gz NYGCPOMJNXSUEA-HHHXNRCGSA-N 0 1 455.643 4.599 20 0 JJADMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](N[C@@H](CC)CO)c1ccccc1 ZINC001460797008 1067725426 /nfs/dbraw/zinc/72/54/26/1067725426.db2.gz ZGHZOQAUQMIVCM-SIKLNZKXSA-N 0 1 452.576 4.632 20 0 JJADMN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC001460800025 1067726615 /nfs/dbraw/zinc/72/66/15/1067726615.db2.gz HEXYYFSZPSVWMR-KNQAVFIVSA-N 0 1 452.364 4.724 20 0 JJADMN OC[C@H](NCc1ccc(I)c(Cl)c1)c1ccccc1C(F)(F)F ZINC001460840301 1067732831 /nfs/dbraw/zinc/73/28/31/1067732831.db2.gz YDMXUSMGYGIKCD-HNNXBMFYSA-N 0 1 455.645 4.787 20 0 JJADMN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1 ZINC001460857236 1067735433 /nfs/dbraw/zinc/73/54/33/1067735433.db2.gz XCYIKJFVXBTWQY-MRXNPFEDSA-N 0 1 457.537 4.761 20 0 JJADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460879688 1067740746 /nfs/dbraw/zinc/74/07/46/1067740746.db2.gz AEWUMQCTSJCBFE-KCZVDYSFSA-N 0 1 467.610 4.685 20 0 JJADMN COCC[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c2ccccc21 ZINC001460949026 1067752255 /nfs/dbraw/zinc/75/22/55/1067752255.db2.gz GZUAKOFTHQCRRR-NLFFAJNJSA-N 0 1 456.030 4.624 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@]12CN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1CCCC2 ZINC001460970052 1067754691 /nfs/dbraw/zinc/75/46/91/1067754691.db2.gz GOKZMVCGFOAKRL-NYHFZMIOSA-N 0 1 456.414 4.949 20 0 JJADMN Cc1sc2nc(CN3CCC4(CCC[C@@H]4CNC(=O)OC(C)(C)C)CC3)nc(N)c2c1C ZINC001460972888 1067755212 /nfs/dbraw/zinc/75/52/12/1067755212.db2.gz BYXXGNZPRZFKHH-QGZVFWFLSA-N 0 1 459.660 4.797 20 0 JJADMN Cc1nn(-c2cccc(Br)c2)cc1CNCc1cccc(NC(=O)C2CCC2)c1 ZINC001461019468 1067762980 /nfs/dbraw/zinc/76/29/80/1067762980.db2.gz QEQQVMLCPZAOLY-UHFFFAOYSA-N 0 1 453.384 4.972 20 0 JJADMN COc1cc(CNCc2cnc3c(C)cc(Br)cn23)ccc1OCC(F)(F)F ZINC001461030631 1067765567 /nfs/dbraw/zinc/76/55/67/1067765567.db2.gz KEOIBQKOQABAKA-UHFFFAOYSA-N 0 1 458.278 4.645 20 0 JJADMN C[C@@H]1CN([C@H](CNCc2c(F)cccc2Br)c2c(F)cccc2Cl)CCO1 ZINC001461050622 1067769980 /nfs/dbraw/zinc/76/99/80/1067769980.db2.gz LVIYVQREYRULPH-BFUOFWGJSA-N 0 1 459.762 4.932 20 0 JJADMN COc1ccc(CNCc2cccc(NC(=O)c3ccccn3)c2)c(OCc2cccnc2)c1 ZINC001461089094 1067779985 /nfs/dbraw/zinc/77/99/85/1067779985.db2.gz NRCIRWHULBWRGH-UHFFFAOYSA-N 0 1 454.530 4.606 20 0 JJADMN CC[C@H](C)[C@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146110 1067789028 /nfs/dbraw/zinc/78/90/28/1067789028.db2.gz AUTBRPKNVJAXSS-XDHUDOTRSA-N 0 1 450.558 4.823 20 0 JJADMN CC[C@@H](C)[C@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146103 1067789203 /nfs/dbraw/zinc/78/92/03/1067789203.db2.gz AUTBRPKNVJAXSS-OSPHWJPCSA-N 0 1 450.558 4.823 20 0 JJADMN Cc1ccc(OCc2nc(CNC[C@@H](c3cccc(Cl)c3)N3CCOCC3)cs2)cc1 ZINC001461171762 1067792445 /nfs/dbraw/zinc/79/24/45/1067792445.db2.gz CJKHGRPJBXIOGG-QHCPKHFHSA-N 0 1 458.027 4.847 20 0 JJADMN C[C@@H](NCc1cccc(F)c1I)[C@H](O)c1c(Cl)cccc1Cl ZINC001461240087 1067807320 /nfs/dbraw/zinc/80/73/20/1067807320.db2.gz SQCFQXQXVBPJKJ-ABKXIKBNSA-N 0 1 454.110 4.949 20 0 JJADMN COc1ncc(Br)cc1CNCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461288037 1067818906 /nfs/dbraw/zinc/81/89/06/1067818906.db2.gz YWNTUBNTYYDLLZ-CQSZACIVSA-N 0 1 450.377 4.728 20 0 JJADMN CC(C)c1nc(CNc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c2ccccn21 ZINC001461306986 1067824773 /nfs/dbraw/zinc/82/47/73/1067824773.db2.gz ITEJNJVIDNZIJM-UHFFFAOYSA-N 0 1 450.587 4.522 20 0 JJADMN COc1cc(CNc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OCC(F)F ZINC001461325204 1067828500 /nfs/dbraw/zinc/82/85/00/1067828500.db2.gz ZSCMGXZDXQUMMI-IRXDYDNUSA-N 0 1 450.526 4.569 20 0 JJADMN COc1cc(CNc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OCC(F)F ZINC001461325202 1067828523 /nfs/dbraw/zinc/82/85/23/1067828523.db2.gz ZSCMGXZDXQUMMI-CALCHBBNSA-N 0 1 450.526 4.569 20 0 JJADMN CCOc1cc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)ccc1OCC(=O)N1CCCCC1 ZINC001461412455 1067849534 /nfs/dbraw/zinc/84/95/34/1067849534.db2.gz VMECPPLJRNVMDD-LJQANCHMSA-N 0 1 456.631 4.587 20 0 JJADMN Cc1cc(N2CCC[C@H](NCc3cnc(-c4ccncc4)s3)C2=O)ccc1Br ZINC001461416142 1067850848 /nfs/dbraw/zinc/85/08/48/1067850848.db2.gz DYPXMMVJMUNLMB-IBGZPJMESA-N 0 1 457.397 4.561 20 0 JJADMN Cc1noc(C[C@H](NCc2cn(-c3ccccc3Br)nc2C)c2ccccc2)n1 ZINC001461430850 1067854449 /nfs/dbraw/zinc/85/44/49/1067854449.db2.gz BIDSHISQDMDFKG-FQEVSTJZSA-N 0 1 452.356 4.708 20 0 JJADMN Fc1ccc(Oc2ccc(F)cc2CNC[C@@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC001461489809 1067874106 /nfs/dbraw/zinc/87/41/06/1067874106.db2.gz ZUXQSCCZQBWJQF-LJQANCHMSA-N 0 1 450.835 4.763 20 0 JJADMN CC(C)(CNCc1ncc(Br)cc1Br)Oc1cc(F)cc(F)c1 ZINC001461493957 1067875569 /nfs/dbraw/zinc/87/55/69/1067875569.db2.gz KNZHIGHOASYKCC-UHFFFAOYSA-N 0 1 450.121 4.832 20 0 JJADMN C[C@](CO)(NCc1cc2c(cc(F)cc2Br)[nH]1)c1ccc(Br)cc1 ZINC001461497109 1067876478 /nfs/dbraw/zinc/87/64/78/1067876478.db2.gz CFYFQZWWRVZXCM-GOSISDBHSA-N 0 1 456.153 4.829 20 0 JJADMN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cccc(S(C)(=O)=O)c2)cc1 ZINC001461499609 1067876713 /nfs/dbraw/zinc/87/67/13/1067876713.db2.gz AHOMXZIZVGKHNJ-UHFFFAOYSA-N 0 1 459.615 4.854 20 0 JJADMN CCOc1cc(CNC[C@@H]2CCCS2(=O)=O)ccc1OCc1c(Cl)cccc1Cl ZINC001461499632 1067876978 /nfs/dbraw/zinc/87/69/78/1067876978.db2.gz CDHDZRBSXFKBQY-INIZCTEOSA-N 0 1 458.407 4.638 20 0 JJADMN COc1cc(Br)c(CNCCc2cnc(SC3CCCC3)nc2)c(OC)c1 ZINC001461540144 1067884778 /nfs/dbraw/zinc/88/47/78/1067884778.db2.gz NQORGFPZQDLMCU-UHFFFAOYSA-N 0 1 452.418 4.623 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N[C@H]1CCC3(C[C@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542543 1067885160 /nfs/dbraw/zinc/88/51/60/1067885160.db2.gz VXTVRZGZFQIPHF-CEXWTWQISA-N 0 1 450.551 4.859 20 0 JJADMN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461593381 1067896512 /nfs/dbraw/zinc/89/65/12/1067896512.db2.gz AHGXZHKOMQEPHU-SIKLNZKXSA-N 0 1 459.428 4.894 20 0 JJADMN COc1ccc(CCC(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461595198 1067897010 /nfs/dbraw/zinc/89/70/10/1067897010.db2.gz FQILAQXJXJSAFV-QHCPKHFHSA-N 0 1 459.428 4.759 20 0 JJADMN CCC(CC)(CNCc1c(Br)cncc1Br)C(=O)OC(C)(C)C ZINC001461596887 1067897495 /nfs/dbraw/zinc/89/74/95/1067897495.db2.gz YDUNIYKFWKPROV-UHFFFAOYSA-N 0 1 450.215 4.844 20 0 JJADMN CC(C)[C@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCN1Cc1ccccc1 ZINC001461597496 1067898174 /nfs/dbraw/zinc/89/81/74/1067898174.db2.gz KNOXIPPSVFBJFK-HSZRJFAPSA-N 0 1 453.533 4.921 20 0 JJADMN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2nc3ccccc3o2)cc1F ZINC001461624425 1067904135 /nfs/dbraw/zinc/90/41/35/1067904135.db2.gz GXCKXEQHUUUAJJ-PXNSSMCTSA-N 0 1 455.530 4.858 20 0 JJADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@@H](n2cncn2)C(F)(F)F)cc1C ZINC001461680629 1067916907 /nfs/dbraw/zinc/91/69/07/1067916907.db2.gz ATBZKALBXJYEEM-JOCHJYFZSA-N 0 1 454.500 4.700 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1CN(Cc2cccc(C)c2)CCO1 ZINC001461694063 1067919992 /nfs/dbraw/zinc/91/99/92/1067919992.db2.gz HHCYHLWVYPXTKN-JOCHJYFZSA-N 0 1 459.421 4.787 20 0 JJADMN FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001461753344 1067930672 /nfs/dbraw/zinc/93/06/72/1067930672.db2.gz HXWDHXVVGRRBCR-NHCUHLMSSA-N 0 1 479.344 4.787 20 0 JJADMN CCOc1c(Br)cc(Br)cc1CNCc1ccc2c(c1)ncn2C ZINC001461760958 1067932229 /nfs/dbraw/zinc/93/22/29/1067932229.db2.gz HSMBTQFVKZTBCA-UHFFFAOYSA-N 0 1 453.178 4.787 20 0 JJADMN Cc1ccc(Oc2cc(Cl)ccc2CNCCNS(=O)(=O)Cc2ccccc2)c(C)c1 ZINC001461760658 1067932247 /nfs/dbraw/zinc/93/22/47/1067932247.db2.gz ODYTUXFVLNNVBO-UHFFFAOYSA-N 0 1 459.011 4.958 20 0 JJADMN CCO/C=C/[C@@](O)(CNCc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772516 1067934554 /nfs/dbraw/zinc/93/45/54/1067934554.db2.gz FJCYWRRRKMHPKO-JHUUHBRDSA-N 0 1 459.512 4.840 20 0 JJADMN CCO/C=C\[C@@](O)(CNCc1cn(Cc2ccccc2)nc1-c1cccc(C)c1)C(F)(F)F ZINC001461772517 1067934602 /nfs/dbraw/zinc/93/46/02/1067934602.db2.gz FJCYWRRRKMHPKO-JPFBCYGGSA-N 0 1 459.512 4.840 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CO1 ZINC001461790793 1067937639 /nfs/dbraw/zinc/93/76/39/1067937639.db2.gz ACDRPNUKXYKZRC-HXUWFJFHSA-N 0 1 454.958 4.833 20 0 JJADMN COc1ccc(OC)c(CN2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC001461913303 1067960077 /nfs/dbraw/zinc/96/00/77/1067960077.db2.gz OZZMTVMSWHFFJC-UHFFFAOYSA-N 0 1 452.545 4.932 20 0 JJADMN CCc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccc(Br)s3)CC2)s1 ZINC001461969191 1067971354 /nfs/dbraw/zinc/97/13/54/1067971354.db2.gz OCROSILBBDUVRX-UHFFFAOYSA-N 0 1 451.459 4.842 20 0 JJADMN C[C@H](CCCCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045226 1067988322 /nfs/dbraw/zinc/98/83/22/1067988322.db2.gz BZBLKBYTZDTYDW-HXOBKFHXSA-N 0 1 450.970 4.608 20 0 JJADMN CC(C)(C)OC(=O)N1[C@H](CNCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)COC1(C)C ZINC001462047126 1067989385 /nfs/dbraw/zinc/98/93/85/1067989385.db2.gz IITZWYMSPPXLQP-RBUKOAKNSA-N 0 1 457.640 4.877 20 0 JJADMN C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001462118294 1068007909 /nfs/dbraw/zinc/00/79/09/1068007909.db2.gz CFQQTGYBAUWTMB-IAGOWNOFSA-N 0 1 450.514 4.771 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCO[C@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462166996 1068020788 /nfs/dbraw/zinc/02/07/88/1068020788.db2.gz KWKALJRRYWGFLM-FCHUYYIVSA-N 0 1 450.501 4.697 20 0 JJADMN CCc1ccccc1Oc1ccc(Cl)cc1CN1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC001462208644 1068029403 /nfs/dbraw/zinc/02/94/03/1068029403.db2.gz CQBOASNGZBJQGV-UHFFFAOYSA-N 0 1 456.030 4.681 20 0 JJADMN CN(CC(=O)NC(c1ccccc1)c1ccccc1)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001462281495 1068042862 /nfs/dbraw/zinc/04/28/62/1068042862.db2.gz UYVCYCCEWYDJMY-UHFFFAOYSA-N 0 1 451.611 4.519 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC001462337602 1068054156 /nfs/dbraw/zinc/05/41/56/1068054156.db2.gz BZJHWXOLBNAXIC-WOJBJXKFSA-N 0 1 453.421 4.733 20 0 JJADMN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC001462360913 1068059529 /nfs/dbraw/zinc/05/95/29/1068059529.db2.gz LDBOLUGJKUQIEO-AWEZNQCLSA-N 0 1 452.780 4.665 20 0 JJADMN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001462371892 1068061510 /nfs/dbraw/zinc/06/15/10/1068061510.db2.gz HPHGSLQBBJAETQ-UHFFFAOYSA-N 0 1 453.901 4.785 20 0 JJADMN COc1cc(CNC[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c(Br)cc1O ZINC001462410981 1068068771 /nfs/dbraw/zinc/06/87/71/1068068771.db2.gz MPOPTOJUUMWIER-HNNXBMFYSA-N 0 1 459.425 4.973 20 0 JJADMN C[C@H](c1ccccc1)[C@H](O)CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460294 1068078879 /nfs/dbraw/zinc/07/88/79/1068078879.db2.gz RUAQGDWXSOCCMP-FOIQADDNSA-N 0 1 453.371 4.972 20 0 JJADMN COc1cccc([C@H](O)C2CCN(Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC2)c1 ZINC001462477824 1068081864 /nfs/dbraw/zinc/08/18/64/1068081864.db2.gz GTMULDQPOLLRKU-XMMPIXPASA-N 0 1 459.512 4.904 20 0 JJADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538854 1068094593 /nfs/dbraw/zinc/09/45/93/1068094593.db2.gz ZQHQCHNENIWWKR-ZHRRBRCNSA-N 0 1 451.355 4.593 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CN2CCC(CCc3ccccc3)CC2)C1 ZINC001462585575 1068105138 /nfs/dbraw/zinc/10/51/38/1068105138.db2.gz HTYVPZDKMNFBDQ-HSZRJFAPSA-N 0 1 453.631 4.695 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462634875 1068119433 /nfs/dbraw/zinc/11/94/33/1068119433.db2.gz NNDFWZYWNQCIJS-VXKWHMMOSA-N 0 1 459.631 4.580 20 0 JJADMN Cc1sc(CN2CCC3(CO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1Br ZINC001462634236 1068119573 /nfs/dbraw/zinc/11/95/73/1068119573.db2.gz MTDCRRVVOAQVID-OAHLLOKOSA-N 0 1 459.450 4.715 20 0 JJADMN CC1CCN([C@@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)c2cccs2)CC1 ZINC001462734907 1068148213 /nfs/dbraw/zinc/14/82/13/1068148213.db2.gz UPWRNDDGCXUSTR-QFIPXVFZSA-N 0 1 457.665 4.719 20 0 JJADMN CC1CCN([C@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)c2cccs2)CC1 ZINC001462734900 1068148361 /nfs/dbraw/zinc/14/83/61/1068148361.db2.gz UPWRNDDGCXUSTR-JOCHJYFZSA-N 0 1 457.665 4.719 20 0 JJADMN CCN(CC)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC001462737717 1068149547 /nfs/dbraw/zinc/14/95/47/1068149547.db2.gz CUFIFLWEWNWKJW-IBGZPJMESA-N 0 1 459.837 4.605 20 0 JJADMN COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)oc1Cl ZINC001462894286 1068206075 /nfs/dbraw/zinc/20/60/75/1068206075.db2.gz PIQLIRLBXNYNKF-QGZVFWFLSA-N 0 1 454.331 4.635 20 0 JJADMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899357 1068208305 /nfs/dbraw/zinc/20/83/05/1068208305.db2.gz XHQBJWUMXCIDAX-UGKGYDQZSA-N 0 1 457.640 4.517 20 0 JJADMN COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)oc1Cl ZINC001462950393 1068226180 /nfs/dbraw/zinc/22/61/80/1068226180.db2.gz DWVIYGYRCDMNNI-QGZVFWFLSA-N 0 1 454.331 4.635 20 0 JJADMN CC(C)(CNS(=O)(=O)c1scc(Br)c1Br)c1cccs1 ZINC001463102181 1068288171 /nfs/dbraw/zinc/28/81/71/1068288171.db2.gz VAROMXSLJJSZLE-UHFFFAOYSA-N 0 1 459.250 4.591 20 0 JJADMN CSc1cccc([C@H](NS(=O)(=O)c2cc3cn[nH]c3cc2C)c2cc(F)ccc2F)c1 ZINC001463221805 1068324649 /nfs/dbraw/zinc/32/46/49/1068324649.db2.gz PYGDXZVKHZNWHM-QFIPXVFZSA-N 0 1 459.543 4.939 20 0 JJADMN COC(=O)c1cc2[nH]c(NC(=O)c3ccc4ccc(Cl)cc4n3)nc2c(Br)c1 ZINC001463315641 1068353301 /nfs/dbraw/zinc/35/33/01/1068353301.db2.gz AVPLDHFZPHKEBD-UHFFFAOYSA-N 0 1 459.687 4.566 20 0 JJADMN Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)s1 ZINC001463340268 1068362272 /nfs/dbraw/zinc/36/22/72/1068362272.db2.gz VQZKFMXFTUBVCO-UHFFFAOYSA-N 0 1 450.293 4.754 20 0 JJADMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC(F)F)C3)[nH]c2c1 ZINC001463408365 1068387322 /nfs/dbraw/zinc/38/73/22/1068387322.db2.gz ZWSGFYQLYYJZMO-ZDUSSCGKSA-N 0 1 455.914 4.694 20 0 JJADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001463423702 1068392650 /nfs/dbraw/zinc/39/26/50/1068392650.db2.gz LCYWSUMKCVWJAM-INIZCTEOSA-N 0 1 457.427 4.869 20 0 JJADMN O=S(=O)(N[C@@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001463487580 1068417077 /nfs/dbraw/zinc/41/70/77/1068417077.db2.gz CMVWYOVBSFMUAH-ACJLOTCBSA-N 0 1 455.926 4.545 20 0 JJADMN COc1cccc([C@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)N2CCCC2)c1 ZINC001463553942 1068439517 /nfs/dbraw/zinc/43/95/17/1068439517.db2.gz AREJLAAZFBIGPF-IBGZPJMESA-N 0 1 453.327 4.503 20 0 JJADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561586 1068443447 /nfs/dbraw/zinc/44/34/47/1068443447.db2.gz QIYSDEWSKNIMGA-GOSISDBHSA-N 0 1 456.395 4.606 20 0 JJADMN Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001463561762 1068444349 /nfs/dbraw/zinc/44/43/49/1068444349.db2.gz AXIXANRWZSKWSC-UHFFFAOYSA-N 0 1 454.939 4.658 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2cc3c([nH]2)c(C)ccc3Br)N2CCCC2)c1 ZINC001463564234 1068445706 /nfs/dbraw/zinc/44/57/06/1068445706.db2.gz YQQGAYZJMBFHCC-OAQYLSRUSA-N 0 1 456.384 4.814 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ccccc1CSC1=NCCS1)N1CCCC1 ZINC001463573777 1068451825 /nfs/dbraw/zinc/45/18/25/1068451825.db2.gz QURUTCMQUPGXDJ-OAQYLSRUSA-N 0 1 455.649 4.598 20 0 JJADMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC001463607124 1068464039 /nfs/dbraw/zinc/46/40/39/1068464039.db2.gz LUMNOVKFXRSMNU-UHFFFAOYSA-N 0 1 455.205 4.597 20 0 JJADMN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC001463646104 1068479526 /nfs/dbraw/zinc/47/95/26/1068479526.db2.gz GZAMGMDJQINLDS-MRXNPFEDSA-N 0 1 453.992 4.790 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC001463684121 1068493014 /nfs/dbraw/zinc/49/30/14/1068493014.db2.gz GGUSEUGBBJHCQB-UHFFFAOYSA-N 0 1 454.495 4.806 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCN(Cc2cccc3ccccc32)CC1)C(C)(C)C ZINC001463723769 1068504972 /nfs/dbraw/zinc/50/49/72/1068504972.db2.gz ITMWOPAUOYPJHK-QHCPKHFHSA-N 0 1 453.627 4.814 20 0 JJADMN CCc1ccc([C@H](CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)N(C)C)cc1 ZINC001463760058 1068515258 /nfs/dbraw/zinc/51/52/58/1068515258.db2.gz FZLWGEJPFMZWPY-QHCPKHFHSA-N 0 1 455.961 4.724 20 0 JJADMN O=C(NCCc1nc2ccccc2s1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001463775858 1068521740 /nfs/dbraw/zinc/52/17/40/1068521740.db2.gz OTBHUOUDXXVPSQ-UHFFFAOYSA-N 0 1 457.964 4.942 20 0 JJADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)c1cccc(Br)c1 ZINC001463793212 1068526359 /nfs/dbraw/zinc/52/63/59/1068526359.db2.gz BUXADIZCMAUDHR-UHFFFAOYSA-N 0 1 457.746 4.975 20 0 JJADMN Cc1nc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1C(C)C ZINC001463795987 1068527324 /nfs/dbraw/zinc/52/73/24/1068527324.db2.gz OJTFMKZUUQOWPP-UHFFFAOYSA-N 0 1 452.002 4.747 20 0 JJADMN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001463826664 1068538863 /nfs/dbraw/zinc/53/88/63/1068538863.db2.gz VCRUKXQQZADSQH-HXUWFJFHSA-N 0 1 459.377 4.929 20 0 JJADMN CCCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2=O)cc1 ZINC001463827037 1068538969 /nfs/dbraw/zinc/53/89/69/1068538969.db2.gz YUIRZNPQOUJGQA-GBXCKJPGSA-N 0 1 454.014 4.599 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1(C)C ZINC001463838714 1068542996 /nfs/dbraw/zinc/54/29/96/1068542996.db2.gz RNSZEKHLFJYINS-YSIASYRMSA-N 0 1 450.023 4.533 20 0 JJADMN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001463839954 1068543503 /nfs/dbraw/zinc/54/35/03/1068543503.db2.gz ZDIMRSGADMPBQX-IOMROCGXSA-N 0 1 452.039 4.923 20 0 JJADMN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(I)c1O ZINC001463849774 1068547831 /nfs/dbraw/zinc/54/78/31/1068547831.db2.gz VEPIGRCWLPKNRD-UHFFFAOYSA-N 0 1 451.260 4.681 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)c1ccccc1Cl ZINC001463915545 1068564245 /nfs/dbraw/zinc/56/42/45/1068564245.db2.gz RHRXTEIVDOPFOS-QFIPXVFZSA-N 0 1 456.974 4.560 20 0 JJADMN CC(C)Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C(C)C)cc1 ZINC001463963394 1068576310 /nfs/dbraw/zinc/57/63/10/1068576310.db2.gz SBCJBARBZALKHS-XMMPIXPASA-N 0 1 458.624 4.502 20 0 JJADMN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC001463972827 1068579273 /nfs/dbraw/zinc/57/92/73/1068579273.db2.gz AFICDCAMZWKYBN-UHFFFAOYSA-N 0 1 454.246 4.628 20 0 JJADMN Cc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)c(C)c1 ZINC001464065232 1068603446 /nfs/dbraw/zinc/60/34/46/1068603446.db2.gz JCRSHQMDPCFHQP-UHFFFAOYSA-N 0 1 458.967 4.702 20 0 JJADMN CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC001464125398 1068624307 /nfs/dbraw/zinc/62/43/07/1068624307.db2.gz NACXTOYYRPAKIL-HHHXNRCGSA-N 0 1 457.618 4.791 20 0 JJADMN Cc1[nH]nc(C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)c1C(F)(F)F ZINC001464131980 1068627893 /nfs/dbraw/zinc/62/78/93/1068627893.db2.gz GKGHKNXOAGYNPD-UHFFFAOYSA-N 0 1 457.500 4.620 20 0 JJADMN CCCCCNC(=O)C1CCN(C(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 ZINC001464179577 1068644923 /nfs/dbraw/zinc/64/49/23/1068644923.db2.gz BUPQXCYAUJXHLL-OAQYLSRUSA-N 0 1 455.565 4.633 20 0 JJADMN CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1csc2ccccc12 ZINC001464201556 1068655022 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CCCc1ccc(-c2nc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)CC(C)C)sc2C)cc1 ZINC001440657792 1065959579 /nfs/dbraw/zinc/95/95/79/1065959579.db2.gz AZAAGCLWOWYCGJ-HXUWFJFHSA-N 0 1 453.612 4.506 20 0 JJADMN CN(C)[C@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(F)c1 ZINC001440673722 1065961593 /nfs/dbraw/zinc/96/15/93/1065961593.db2.gz IFSABSYQOUMWEO-FDDCHVKYSA-N 0 1 455.574 4.864 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)c1cccc(F)c1 ZINC001440674915 1065962605 /nfs/dbraw/zinc/96/26/05/1065962605.db2.gz LOMUKORJMNWZNK-IBGZPJMESA-N 0 1 451.489 4.925 20 0 JJADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678247 1065963664 /nfs/dbraw/zinc/96/36/64/1065963664.db2.gz VSSRJMDYKILKAL-FCHUYYIVSA-N 0 1 451.394 4.587 20 0 JJADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC001440678254 1065963797 /nfs/dbraw/zinc/96/37/97/1065963797.db2.gz VSSRJMDYKILKAL-VXKWHMMOSA-N 0 1 451.394 4.587 20 0 JJADMN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001440683213 1065966081 /nfs/dbraw/zinc/96/60/81/1065966081.db2.gz XXICMAGDKLCJEA-LAUBAEHRSA-N 0 1 452.039 4.750 20 0 JJADMN Cc1cccc(C2(C(=O)NCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CCC2)c1 ZINC001440745150 1065974882 /nfs/dbraw/zinc/97/48/82/1065974882.db2.gz GCGFDLJOIHUZIF-UHFFFAOYSA-N 0 1 459.556 4.764 20 0 JJADMN O=C(CCc1ccc(Cl)cc1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440744054 1065974995 /nfs/dbraw/zinc/97/49/95/1065974995.db2.gz CPTWVPSRTFGPLB-UHFFFAOYSA-N 0 1 453.936 4.620 20 0 JJADMN CC1=C(Br)CN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 ZINC001360857549 1065975314 /nfs/dbraw/zinc/97/53/14/1065975314.db2.gz DDDIZXFNILCOOG-UHFFFAOYSA-N 0 1 492.849 4.651 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C(F)F)o3)ccc2Cl)cc1 ZINC001440755178 1065976352 /nfs/dbraw/zinc/97/63/52/1065976352.db2.gz XEWGIYDWQOXALA-UHFFFAOYSA-N 0 1 456.854 4.932 20 0 JJADMN Cc1ccc(CN2CCCN(C(=O)c3cc(NC(=O)NC(C)(C)C)ccc3Cl)CC2)cc1 ZINC001440862854 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OBNLLNVUHVMRBN-DENIHFKCSA-N 0 1 457.688 4.710 20 0 JJADMN CC[C@@H](CNC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C)N1CCc2ccccc2C1 ZINC001441238018 1066018169 /nfs/dbraw/zinc/01/81/69/1066018169.db2.gz JGGIFQGQRKLSBU-DEOSSOPVSA-N 0 1 451.014 4.768 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCCCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)c1C ZINC001360875784 1066019587 /nfs/dbraw/zinc/01/95/87/1066019587.db2.gz YWOGDSNSHGGAHB-RPWUZVMVSA-N 0 1 469.674 4.772 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC4CC4)CC3)n2CCSC(C)C)c1C ZINC001360877344 1066022473 /nfs/dbraw/zinc/02/24/73/1066022473.db2.gz KIOVOGOFUCWZAZ-OAQYLSRUSA-N 0 1 457.688 4.709 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)C)CC3)n2Cc2ccc(Cl)nc2)c1C ZINC001360877185 1066022580 /nfs/dbraw/zinc/02/25/80/1066022580.db2.gz JNWCHDGQWPFBOO-FQEVSTJZSA-N 0 1 469.033 4.662 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878673 1066026473 /nfs/dbraw/zinc/02/64/73/1066026473.db2.gz YDOYJTLMOGGMSU-BJKOFHAPSA-N 0 1 469.674 4.772 20 0 JJADMN 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CC1=C(C)CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001360888508 1066041514 /nfs/dbraw/zinc/04/15/14/1066041514.db2.gz YIQWIDXILPRUEN-FGZHOGPDSA-N 0 1 498.672 4.835 20 0 JJADMN Cc1c(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)ccc2cncn21 ZINC001441702574 1066062878 /nfs/dbraw/zinc/06/28/78/1066062878.db2.gz NHISFBSOOQTOEJ-UHFFFAOYSA-N 0 1 450.901 4.716 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC001441812106 1066071581 /nfs/dbraw/zinc/07/15/81/1066071581.db2.gz IAZQHXFJCQVIFS-QFIPXVFZSA-N 0 1 452.917 4.958 20 0 JJADMN Cc1ccsc1CCn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1C(C)(C)C ZINC001360926706 1066083410 /nfs/dbraw/zinc/08/34/10/1066083410.db2.gz YABKYCIZEPQCPN-UHFFFAOYSA-N 0 1 459.704 4.517 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC001360928364 1066084417 /nfs/dbraw/zinc/08/44/17/1066084417.db2.gz FVVLDABCZFHACB-KAYWLYCHSA-N 0 1 455.602 4.843 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCC(C)(C)c2ccccc2)c1 ZINC001442113130 1066095717 /nfs/dbraw/zinc/09/57/17/1066095717.db2.gz KUZQRKYOHIXAOP-UHFFFAOYSA-N 0 1 452.576 4.594 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)c3cc(C)n(C4CCOCC4)c3C)cc2Cl)CC1 ZINC001442246378 1066107847 /nfs/dbraw/zinc/10/78/47/1066107847.db2.gz OFJKKKDGSXOPMU-UHFFFAOYSA-N 0 1 459.034 4.894 20 0 JJADMN Cc1c2ccccc2oc1Cn1c(C(C)C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001360954026 1066111052 /nfs/dbraw/zinc/11/10/52/1066111052.db2.gz YNWQLXKMYCWYRB-UHFFFAOYSA-N 0 1 479.547 4.595 20 0 JJADMN Cc1cccc(CC(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1Br ZINC001442370782 1066120889 /nfs/dbraw/zinc/12/08/89/1066120889.db2.gz CUTSUBPXQDXOTQ-UHFFFAOYSA-N 0 1 459.365 4.740 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc(-c2ccc(CC)cc2)n1 ZINC001360983024 1066143085 /nfs/dbraw/zinc/14/30/85/1066143085.db2.gz CFUWHWZCWSVSQE-UHFFFAOYSA-N 0 1 450.608 4.775 20 0 JJADMN CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(CCc2cccs2)CC1)Oc1ccccc1F ZINC001545950498 1066146357 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CCOC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC001454205566 1066254648 /nfs/dbraw/zinc/25/46/48/1066254648.db2.gz PMBDLPNGIZZHAL-TUPIDYKKSA-N 0 1 455.967 4.998 20 0 JJADMN Cc1cc(I)cc(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C ZINC001454222407 1066256275 /nfs/dbraw/zinc/25/62/75/1066256275.db2.gz RYABGCDQZVZYGX-NSHDSACASA-N 0 1 453.711 4.929 20 0 JJADMN O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1ccc(COc2ccc(Br)cc2)o1 ZINC001454280231 1066264295 /nfs/dbraw/zinc/26/42/95/1066264295.db2.gz GUFQNBFIRMVPKY-UHFFFAOYSA-N 0 1 454.280 4.765 20 0 JJADMN O=C(Nc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001454324797 1066269716 /nfs/dbraw/zinc/26/97/16/1066269716.db2.gz CEMLISOBJSQEGS-NVMNQCDNSA-N 0 1 452.301 4.674 20 0 JJADMN CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)cs1 ZINC001454328653 1066270241 /nfs/dbraw/zinc/27/02/41/1066270241.db2.gz PHBSVEQONRQLEM-UHFFFAOYSA-N 0 1 456.355 4.646 20 0 JJADMN Cc1cc(C)c2c(c1)N(C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)CCC2 ZINC001443167760 1066276852 /nfs/dbraw/zinc/27/68/52/1066276852.db2.gz SIAAEPLDRGZVLD-HSZRJFAPSA-N 0 1 451.611 4.608 20 0 JJADMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396561 1066277306 /nfs/dbraw/zinc/27/73/06/1066277306.db2.gz BSUDSPQPZUDIIJ-VGOFRKELSA-N 0 1 457.496 4.816 20 0 JJADMN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1n[nH]c2ccc(Br)cc21 ZINC001443248135 1066284202 /nfs/dbraw/zinc/28/42/02/1066284202.db2.gz BVHNBIMHTXSDLF-UHFFFAOYSA-N 0 1 456.369 4.597 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(SC(F)(F)F)o3)CC2)c1C ZINC001443403106 1066306027 /nfs/dbraw/zinc/30/60/27/1066306027.db2.gz ANGRGWRJQGSAKK-UHFFFAOYSA-N 0 1 457.518 4.649 20 0 JJADMN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc3[nH]ncc32)c2ccc(Br)cc21 ZINC001454595383 1066306688 /nfs/dbraw/zinc/30/66/88/1066306688.db2.gz PFDIQRKBHLDGHE-HNNXBMFYSA-N 0 1 456.340 4.801 20 0 JJADMN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc3[nH]ncc32)c2ccc(Br)cc21 ZINC001454595386 1066306989 /nfs/dbraw/zinc/30/69/89/1066306989.db2.gz PFDIQRKBHLDGHE-OAHLLOKOSA-N 0 1 456.340 4.801 20 0 JJADMN COc1cc(C)cc(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1C ZINC001454597006 1066307607 /nfs/dbraw/zinc/30/76/07/1066307607.db2.gz ZOANICXEQKNCNK-UHFFFAOYSA-N 0 1 454.548 4.682 20 0 JJADMN Cc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(C)C)cc(N2CCCC2)n1 ZINC001361073093 1066314207 /nfs/dbraw/zinc/31/42/07/1066314207.db2.gz BXZNMVXPVLMEBV-UHFFFAOYSA-N 0 1 454.022 4.828 20 0 JJADMN CCc1c(NC(=O)c2cccc3c2OC(F)(F)O3)[nH]nc1-c1ccc(Br)cc1 ZINC001443495843 1066318753 /nfs/dbraw/zinc/31/87/53/1066318753.db2.gz GTYXLLDTJZOJSR-UHFFFAOYSA-N 0 1 450.239 4.975 20 0 JJADMN CCc1c(NC(=O)c2cc(-c3ccccc3O)[nH]n2)[nH]nc1-c1ccc(Br)cc1 ZINC001443493968 1066318983 /nfs/dbraw/zinc/31/89/83/1066318983.db2.gz BKEYNJYBLBIOMZ-UHFFFAOYSA-N 0 1 452.312 4.750 20 0 JJADMN CCc1c(NC(=O)c2cnc3c(cnn3C(C)C)c2)[nH]nc1-c1ccc(Br)cc1 ZINC001443500534 1066319870 /nfs/dbraw/zinc/31/98/70/1066319870.db2.gz PVFXKFUTTRYBKP-UHFFFAOYSA-N 0 1 453.344 4.980 20 0 JJADMN COCCN(CCCOc1ccc(F)cc1)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC001443576873 1066330505 /nfs/dbraw/zinc/33/05/05/1066330505.db2.gz GFNIGBNCWFFSQF-UHFFFAOYSA-N 0 1 453.539 4.988 20 0 JJADMN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001443600198 1066335596 /nfs/dbraw/zinc/33/55/96/1066335596.db2.gz GOCBFCLLNSQNAD-MUUNZHRXSA-N 0 1 456.634 4.643 20 0 JJADMN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2nc[nH]c(=O)c2Br)cc1 ZINC001443638846 1066342910 /nfs/dbraw/zinc/34/29/10/1066342910.db2.gz ZPLXYCXNHDCFER-UHFFFAOYSA-N 0 1 456.340 4.924 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001546066713 1066345169 /nfs/dbraw/zinc/34/51/69/1066345169.db2.gz TVEKMCMIIZKOCN-QDPGVEIFSA-N 0 1 499.700 4.724 20 0 JJADMN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005933 1066351792 /nfs/dbraw/zinc/35/17/92/1066351792.db2.gz ABGRPQPZRANWBX-QAPCUYQASA-N 0 1 451.792 4.569 20 0 JJADMN COc1ccc(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001455005308 1066352075 /nfs/dbraw/zinc/35/20/75/1066352075.db2.gz UXDWYVFDVIISSV-OALUTQOASA-N 0 1 456.608 4.703 20 0 JJADMN COc1ccc(C2CC2)c(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001455079034 1066358066 /nfs/dbraw/zinc/35/80/66/1066358066.db2.gz PWTCYBJNFPMMIF-QHCPKHFHSA-N 0 1 453.583 4.536 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CN(CC(C)C)CCO2)C1 ZINC001546068600 1066360199 /nfs/dbraw/zinc/36/01/99/1066360199.db2.gz SILLYVGBILBSJQ-CYFREDJKSA-N 0 1 490.490 4.691 20 0 JJADMN CC(C)(C)CCN(CCc1ccccc1)C(=O)c1cnc(I)c(O)c1 ZINC001455196955 1066369752 /nfs/dbraw/zinc/36/97/52/1066369752.db2.gz WRFBETOZRGQBOP-UHFFFAOYSA-N 0 1 452.336 4.513 20 0 JJADMN COC(=O)[C@@H](CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)Cc1ccc2ccccc2c1 ZINC001443834003 1066373765 /nfs/dbraw/zinc/37/37/65/1066373765.db2.gz GGWABLFBHSFKNJ-QGZVFWFLSA-N 0 1 453.951 4.707 20 0 JJADMN O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cn[nH]c1-c1ccccc1 ZINC001443866861 1066378093 /nfs/dbraw/zinc/37/80/93/1066378093.db2.gz NZBGYAGJYRCAOK-UHFFFAOYSA-N 0 1 453.470 4.581 20 0 JJADMN COc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001443897576 1066383177 /nfs/dbraw/zinc/38/31/77/1066383177.db2.gz QNLCADOJRSFJIV-RUZDIDTESA-N 0 1 454.592 4.767 20 0 JJADMN CC(C)CN(Cc1nn[nH]n1)C(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 ZINC001455325578 1066383514 /nfs/dbraw/zinc/38/35/14/1066383514.db2.gz XWZHFQOMRKXQCX-UHFFFAOYSA-N 0 1 453.465 4.807 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC001443909314 1066384240 /nfs/dbraw/zinc/38/42/40/1066384240.db2.gz GMJYJOBDWRTPJX-UHFFFAOYSA-N 0 1 459.527 4.810 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001361126374 1066384398 /nfs/dbraw/zinc/38/43/98/1066384398.db2.gz QVAGSQTYVJLCOK-VXNXHJTFSA-N 0 1 483.701 4.738 20 0 JJADMN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001443965010 1066388781 /nfs/dbraw/zinc/38/87/81/1066388781.db2.gz ICDCDVKKTWUMLC-UHFFFAOYSA-N 0 1 450.882 4.900 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC3(C)C)n2CCCCN2CCOCC2)c1 ZINC001361127525 1066389156 /nfs/dbraw/zinc/38/91/56/1066389156.db2.gz LATJYEFMBVNYPQ-UHFFFAOYSA-N 0 1 469.674 4.780 20 0 JJADMN COc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001443992036 1066392068 /nfs/dbraw/zinc/39/20/68/1066392068.db2.gz KNXSVAPWRMMLIP-UHFFFAOYSA-N 0 1 456.539 4.609 20 0 JJADMN COc1ccc(Br)c(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 ZINC001444023392 1066395593 /nfs/dbraw/zinc/39/55/93/1066395593.db2.gz FGLUCQWNGKFDAZ-QHCPKHFHSA-N 0 1 450.336 4.782 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC001455543285 1066408582 /nfs/dbraw/zinc/40/85/82/1066408582.db2.gz SFTDIZVNHLODPD-UHFFFAOYSA-N 0 1 459.562 4.539 20 0 JJADMN CCOc1ccccc1OCCCC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444138535 1066413160 /nfs/dbraw/zinc/41/31/60/1066413160.db2.gz PFIVJTMSPYSKQU-FQEVSTJZSA-N 0 1 450.501 4.654 20 0 JJADMN Cc1ccc([C@H](Cn2c(C3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)N(C)C)cc1 ZINC001361140042 1066417212 /nfs/dbraw/zinc/41/72/12/1066417212.db2.gz UIIYHLMIJBNGSI-NRFANRHFSA-N 0 1 477.575 4.895 20 0 JJADMN O=C(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001455640399 1066418257 /nfs/dbraw/zinc/41/82/57/1066418257.db2.gz KUCNBQXTBPCEOV-UGKGYDQZSA-N 0 1 452.561 4.915 20 0 JJADMN CC1(C)[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccc(OCc2nn[nH]n2)cc1 ZINC001444204282 1066429238 /nfs/dbraw/zinc/42/92/38/1066429238.db2.gz FRWQROVBWFZRLI-OWIHBLHKSA-N 0 1 458.349 4.923 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001361146251 1066432352 /nfs/dbraw/zinc/43/23/52/1066432352.db2.gz XNOVBXNYGALNAK-QHCPKHFHSA-N 0 1 476.650 4.870 20 0 JJADMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001444249360 1066435345 /nfs/dbraw/zinc/43/53/45/1066435345.db2.gz RKAMEMKMTUXMJU-QDSKXPNFSA-N 0 1 457.659 4.529 20 0 JJADMN CCCC[C@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001444322963 1066448829 /nfs/dbraw/zinc/44/88/29/1066448829.db2.gz QJLYFMUNRYRSBZ-QGZVFWFLSA-N 0 1 459.395 4.729 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCN2CC=CCC2)c1 ZINC001361155676 1066455576 /nfs/dbraw/zinc/45/55/76/1066455576.db2.gz XXLBFQBPHHBAKD-UHFFFAOYSA-N 0 1 462.425 4.635 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)cc1 ZINC001444369513 1066456088 /nfs/dbraw/zinc/45/60/88/1066456088.db2.gz ZDGNROLYNMRFBI-LJQANCHMSA-N 0 1 452.576 4.508 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546077892 1066460172 /nfs/dbraw/zinc/46/01/72/1066460172.db2.gz XQMBLRDPFFLMJU-TYPXCFOJSA-N 0 1 483.701 4.586 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)c2ccc(C)cc2)c1 ZINC001444461533 1066462430 /nfs/dbraw/zinc/46/24/30/1066462430.db2.gz UQOWRAFQSORIHX-LJQANCHMSA-N 0 1 452.576 4.646 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)c2ccc(C)cc2)c1 ZINC001444461526 1066462714 /nfs/dbraw/zinc/46/27/14/1066462714.db2.gz UQOWRAFQSORIHX-IBGZPJMESA-N 0 1 452.576 4.646 20 0 JJADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001444595571 1066479435 /nfs/dbraw/zinc/47/94/35/1066479435.db2.gz FSWSFUMXUZQQQQ-INIZCTEOSA-N 0 1 456.315 4.713 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@H](C(C)C)N2CCOCC2)o1 ZINC001361171517 1066487888 /nfs/dbraw/zinc/48/78/88/1066487888.db2.gz VSRNTKQBICGYLU-JTHBVZDNSA-N 0 1 451.615 4.709 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361175680 1066493345 /nfs/dbraw/zinc/49/33/45/1066493345.db2.gz UQJLWZYXHMKWLN-KSEOMHKRSA-N 0 1 465.642 4.974 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC001444726268 1066497417 /nfs/dbraw/zinc/49/74/17/1066497417.db2.gz FLQQLUNLGDKADP-GOSISDBHSA-N 0 1 458.578 4.568 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854531 1066513475 /nfs/dbraw/zinc/51/34/75/1066513475.db2.gz ZZKMFDKHCAXSMS-ZEQRLZLVSA-N 0 1 451.611 4.856 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854524 1066513521 /nfs/dbraw/zinc/51/35/21/1066513521.db2.gz ZZKMFDKHCAXSMS-DNQXCXABSA-N 0 1 451.611 4.856 20 0 JJADMN CN1CCN(CCOc2ccc(NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001444857285 1066513809 /nfs/dbraw/zinc/51/38/09/1066513809.db2.gz RGNZHOQVZKTPBP-UHFFFAOYSA-N 0 1 450.410 4.536 20 0 JJADMN O=C(c1ccc2ccc(O)cc2c1[O-])N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868648 1066514729 /nfs/dbraw/zinc/51/47/29/1066514729.db2.gz SOLOBSIODTZWEG-GOSISDBHSA-N 0 1 458.480 4.778 20 0 JJADMN O=C(c1ccc2ccc(O)cc2c1[O-])N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868648 1066514742 /nfs/dbraw/zinc/51/47/42/1066514742.db2.gz SOLOBSIODTZWEG-GOSISDBHSA-N 0 1 458.480 4.778 20 0 JJADMN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCc1ccccc1N1CCN(C)CC1 ZINC001456174657 1066529066 /nfs/dbraw/zinc/52/90/66/1066529066.db2.gz XDWAGHJARHQOBJ-UHFFFAOYSA-N 0 1 459.377 4.639 20 0 JJADMN CN(C)[C@@H](CNC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 ZINC001445093879 1066539233 /nfs/dbraw/zinc/53/92/33/1066539233.db2.gz VEZWGGATRFVFCY-QFIPXVFZSA-N 0 1 458.002 4.599 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](c2ccccc2Cl)N(C)C)o1 ZINC001361209507 1066542804 /nfs/dbraw/zinc/54/28/04/1066542804.db2.gz ZKRYPFNHWPRAFQ-GOSISDBHSA-N 0 1 497.949 4.696 20 0 JJADMN CC(C)C1CCC(N2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC001445266139 1066550272 /nfs/dbraw/zinc/55/02/72/1066550272.db2.gz BSGIOXUPTKWZPA-UHFFFAOYSA-N 0 1 459.432 4.607 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC001445294380 1066555561 /nfs/dbraw/zinc/55/55/61/1066555561.db2.gz FUYGGMWMKFQDKB-PGRDOPGGSA-N 0 1 450.560 4.514 20 0 JJADMN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cc(-c2ccccc2O)n[nH]1 ZINC001445361226 1066562571 /nfs/dbraw/zinc/56/25/71/1066562571.db2.gz UPGAGWRPGLEFLI-UHFFFAOYSA-N 0 1 452.923 4.680 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H]2CCSC(C)(C)C2)ccc1Cl ZINC001456325180 1066562741 /nfs/dbraw/zinc/56/27/41/1066562741.db2.gz VSPMOZQKJMVAQT-INIZCTEOSA-N 0 1 453.029 4.853 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001361225744 1066564552 /nfs/dbraw/zinc/56/45/52/1066564552.db2.gz LCSBBOQUZIOIJW-OALUTQOASA-N 0 1 469.552 4.687 20 0 JJADMN Cc1cc([C@H]2CCCCN2C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n[nH]1 ZINC001456380930 1066573720 /nfs/dbraw/zinc/57/37/20/1066573720.db2.gz IPROUZJDLXMYSJ-FYYLOGMGSA-N 0 1 450.970 4.987 20 0 JJADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCCc2ccccc2Cl)CC1 ZINC001456502165 1066602937 /nfs/dbraw/zinc/60/29/37/1066602937.db2.gz FFKUQMRXHCPBBI-UHFFFAOYSA-N 0 1 453.936 4.750 20 0 JJADMN CCN(C)[C@H](C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 ZINC001456624944 1066648982 /nfs/dbraw/zinc/64/89/82/1066648982.db2.gz WGVFSBDKORFUIF-URXFXBBRSA-N 0 1 457.659 4.955 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CCc4cccc(Br)c4C3)n[nH]2)c1C ZINC001446048564 1066651283 /nfs/dbraw/zinc/65/12/83/1066651283.db2.gz LMNCFRFAUOOBQQ-CYBMUJFWSA-N 0 1 456.388 4.822 20 0 JJADMN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC001446139264 1066664715 /nfs/dbraw/zinc/66/47/15/1066664715.db2.gz GTGUUTDXGGNABQ-ZDUSSCGKSA-N 0 1 453.534 4.726 20 0 JJADMN O=C(NCCCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001446183139 1066669582 /nfs/dbraw/zinc/66/95/82/1066669582.db2.gz KIQYLYLTHGUMNT-UHFFFAOYSA-N 0 1 452.960 4.704 20 0 JJADMN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC001446186834 1066670483 /nfs/dbraw/zinc/67/04/83/1066670483.db2.gz WLTFYQQYJVAWOS-UHFFFAOYSA-N 0 1 450.474 4.702 20 0 JJADMN CN1CC[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001446196440 1066674327 /nfs/dbraw/zinc/67/43/27/1066674327.db2.gz SLWNANPPOMGTCV-KNQAVFIVSA-N 0 1 458.603 4.513 20 0 JJADMN CCN1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C[C@@H]1C ZINC001446198072 1066674749 /nfs/dbraw/zinc/67/47/49/1066674749.db2.gz UAXQEXRXWYPEQK-SFHVURJKSA-N 0 1 450.608 4.657 20 0 JJADMN CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492615483 1066681797 /nfs/dbraw/zinc/68/17/97/1066681797.db2.gz OIICUXBIDFGSCH-KDURUIRLSA-N 0 1 488.474 4.752 20 0 JJADMN CC1=CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001492616021 1066683051 /nfs/dbraw/zinc/68/30/51/1066683051.db2.gz HVLLEELBOLUSTG-QZTJIDSGSA-N 0 1 464.441 4.908 20 0 JJADMN CC(C)Cn1ncc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1C(C)C ZINC001446353940 1066695627 /nfs/dbraw/zinc/69/56/27/1066695627.db2.gz UWCDPBMUAFTYCB-UHFFFAOYSA-N 0 1 458.559 4.855 20 0 JJADMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC001446520146 1066714814 /nfs/dbraw/zinc/71/48/14/1066714814.db2.gz YPHCGKDCPPXFSV-XDHUDOTRSA-N 0 1 452.002 4.806 20 0 JJADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)c1 ZINC001446527158 1066715928 /nfs/dbraw/zinc/71/59/28/1066715928.db2.gz OXHWYNJCMKYFBM-UHFFFAOYSA-N 0 1 457.360 4.868 20 0 JJADMN O=C(c1cccc(C(F)(F)F)c1O)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456895070 1066716442 /nfs/dbraw/zinc/71/64/42/1066716442.db2.gz KAPUEFVLTHXBNT-UHFFFAOYSA-N 0 1 450.638 4.862 20 0 JJADMN O=C(c1cccc(Br)c1O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001446542787 1066718909 /nfs/dbraw/zinc/71/89/09/1066718909.db2.gz ZHYNPVMJLZHQSF-XMMPIXPASA-N 0 1 452.348 4.631 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N(Cc3ccnc(OC(C)C)c3)C3CC3)n[nH]2)c1C ZINC001446582442 1066723397 /nfs/dbraw/zinc/72/33/97/1066723397.db2.gz OJDJJZUWDBELLZ-INIZCTEOSA-N 0 1 450.587 4.848 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N(Cc3ccnc(OC(C)C)c3)C3CC3)n[nH]2)c1C ZINC001446582527 1066723424 /nfs/dbraw/zinc/72/34/24/1066723424.db2.gz OJDJJZUWDBELLZ-MRXNPFEDSA-N 0 1 450.587 4.848 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)/C(C)=C/C2CCC(C)CC2)c1 ZINC001446705228 1066732292 /nfs/dbraw/zinc/73/22/92/1066732292.db2.gz BFOQDTIKZUWFEZ-SAPNQHFASA-N 0 1 458.580 4.913 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2C2CCC2)c1 ZINC001446707246 1066732967 /nfs/dbraw/zinc/73/29/67/1066732967.db2.gz HUZBBWADOGCJSM-UHFFFAOYSA-N 0 1 452.532 4.721 20 0 JJADMN CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1C ZINC001446706901 1066733035 /nfs/dbraw/zinc/73/30/35/1066733035.db2.gz GUOOGNJEHLVNIJ-UHFFFAOYSA-N 0 1 458.923 4.610 20 0 JJADMN CC(C)(C(=O)N1CCC(CCCN2CCOCC2)CC1)c1csc(-c2ccccc2F)n1 ZINC001446715265 1066733553 /nfs/dbraw/zinc/73/35/53/1066733553.db2.gz QRIAKAQUFVJFNK-UHFFFAOYSA-N 0 1 459.631 4.578 20 0 JJADMN CC[C@@H]1c2ccccc2CN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001457001353 1066739123 /nfs/dbraw/zinc/73/91/23/1066739123.db2.gz KONFSUXPIHLSHV-OAQYLSRUSA-N 0 1 456.951 4.954 20 0 JJADMN CCC[C@@H]1CN(C(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC001446813984 1066744127 /nfs/dbraw/zinc/74/41/27/1066744127.db2.gz JQCMYLVUXBIQKH-ZXVSTTAWSA-N 0 1 455.643 4.703 20 0 JJADMN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2nc(C)n[nH]2)c1 ZINC001492645416 1066745897 /nfs/dbraw/zinc/74/58/97/1066745897.db2.gz VNBLCJKIQUGSGP-OAHLLOKOSA-N 0 1 472.018 4.747 20 0 JJADMN Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2nnc(C)[nH]2)c1 ZINC001492645416 1066745902 /nfs/dbraw/zinc/74/59/02/1066745902.db2.gz VNBLCJKIQUGSGP-OAHLLOKOSA-N 0 1 472.018 4.747 20 0 JJADMN O=C(Cc1cc(Cl)ccc1Br)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446989559 1066762471 /nfs/dbraw/zinc/76/24/71/1066762471.db2.gz UZYKLCQEGAPCKU-OAHLLOKOSA-N 0 1 459.775 4.836 20 0 JJADMN O=C(Cc1cc(Cl)ccc1Br)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446989556 1066762531 /nfs/dbraw/zinc/76/25/31/1066762531.db2.gz UZYKLCQEGAPCKU-HNNXBMFYSA-N 0 1 459.775 4.836 20 0 JJADMN CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)c1ccc(C)c(F)c1 ZINC001447028058 1066767994 /nfs/dbraw/zinc/76/79/94/1066767994.db2.gz RNJSXEYUUZJGDY-NRFANRHFSA-N 0 1 456.539 4.825 20 0 JJADMN Cc1ccc2nc(CNC(=O)c3cccnc3Oc3ccc(F)cc3Br)[nH]c2c1 ZINC001457140504 1066771132 /nfs/dbraw/zinc/77/11/32/1066771132.db2.gz FYNHHSCLRDJARA-UHFFFAOYSA-N 0 1 455.287 4.890 20 0 JJADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC001447092622 1066772076 /nfs/dbraw/zinc/77/20/76/1066772076.db2.gz ISGVSLHHMAMEBV-UHFFFAOYSA-N 0 1 450.695 4.874 20 0 JJADMN CN1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447103024 1066773193 /nfs/dbraw/zinc/77/31/93/1066773193.db2.gz LJQZJJUCOGLUBJ-BMQTXXJKSA-N 0 1 468.013 4.672 20 0 JJADMN Cc1ccc(CSc2n[nH]c(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 ZINC001457165919 1066778201 /nfs/dbraw/zinc/77/82/01/1066778201.db2.gz ZVLZKBUMOCCUCP-UHFFFAOYSA-N 0 1 453.568 4.934 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2C[C@@H](c2ccsc2)N(C)C)cs1 ZINC001492662133 1066781958 /nfs/dbraw/zinc/78/19/58/1066781958.db2.gz PMCLLRBUVHCITB-AOMKIAJQSA-N 0 1 482.679 4.901 20 0 JJADMN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)C1 ZINC001457315860 1066808746 /nfs/dbraw/zinc/80/87/46/1066808746.db2.gz MULIAAGQUXHEQY-LSDHHAIUSA-N 0 1 456.340 4.910 20 0 JJADMN CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001447488048 1066814513 /nfs/dbraw/zinc/81/45/13/1066814513.db2.gz OTFIAXBTQWFCKN-UHFFFAOYSA-N 0 1 452.960 4.553 20 0 JJADMN CC[C@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CCN1Cc1ccccc1 ZINC001447514049 1066817267 /nfs/dbraw/zinc/81/72/67/1066817267.db2.gz VBCRSLFODYPUBB-SFHVURJKSA-N 0 1 451.792 4.604 20 0 JJADMN Cn1nc(C2CCCC2)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC001447532886 1066819081 /nfs/dbraw/zinc/81/90/81/1066819081.db2.gz NPMSFBHQKOVBRV-UHFFFAOYSA-N 0 1 458.971 4.784 20 0 JJADMN CCCc1c(C(=O)NCCN(C)Cc2ccc(F)cc2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001457396373 1066822029 /nfs/dbraw/zinc/82/20/29/1066822029.db2.gz WLJUYHKBSDPXFT-UHFFFAOYSA-N 0 1 451.590 4.518 20 0 JJADMN Cc1nc(Cc2nnc(N3CCN(CCc4ccccc4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492680995 1066823632 /nfs/dbraw/zinc/82/36/32/1066823632.db2.gz HXOYDRGDFICHTM-UHFFFAOYSA-N 0 1 492.615 4.587 20 0 JJADMN CCc1c(Br)cc(C(=O)NCCCCc2ccnc(N)c2)cc1Br ZINC001457428369 1066830429 /nfs/dbraw/zinc/83/04/29/1066830429.db2.gz CROUYJIQXTUQLY-UHFFFAOYSA-N 0 1 455.194 4.504 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1C ZINC001457478640 1066840165 /nfs/dbraw/zinc/84/01/65/1066840165.db2.gz JNAZNLPOHAEASI-SFHLNBCPSA-N 0 1 456.608 4.893 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1C ZINC001457478638 1066840231 /nfs/dbraw/zinc/84/02/31/1066840231.db2.gz JNAZNLPOHAEASI-IRFCIJBXSA-N 0 1 456.608 4.893 20 0 JJADMN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2C1 ZINC001447794986 1066859704 /nfs/dbraw/zinc/85/97/04/1066859704.db2.gz FYHVLAHUYFVQAR-WOJBJXKFSA-N 0 1 451.655 4.693 20 0 JJADMN CCCc1c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)nnn1-c1cccc(Cl)c1 ZINC001457554417 1066859846 /nfs/dbraw/zinc/85/98/46/1066859846.db2.gz ZBPLQCSVKKKLGO-QFIPXVFZSA-N 0 1 452.002 4.610 20 0 JJADMN Cc1[nH]c(SCC(=O)Nc2nc3cc(Br)ccc3[nH]2)nc1Cc1ccccc1 ZINC001457671632 1066894963 /nfs/dbraw/zinc/89/49/63/1066894963.db2.gz FBDMGEXUGBCNGP-UHFFFAOYSA-N 0 1 456.369 4.679 20 0 JJADMN Cc1nc(SCC(=O)Nc2nc3ccc(Br)cc3[nH]2)[nH]c1Cc1ccccc1 ZINC001457671632 1066894972 /nfs/dbraw/zinc/89/49/72/1066894972.db2.gz FBDMGEXUGBCNGP-UHFFFAOYSA-N 0 1 456.369 4.679 20 0 JJADMN C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448072947 1066896927 /nfs/dbraw/zinc/89/69/27/1066896927.db2.gz ZUZAREYGLQYHFY-FZKQIMNGSA-N 0 1 459.306 4.654 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)nc3)ccc2Cl)cc1Cl ZINC001457690336 1066898428 /nfs/dbraw/zinc/89/84/28/1066898428.db2.gz JLYBYNUWPDKKRI-UHFFFAOYSA-N 0 1 454.310 4.889 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)Cc3c(C)nn(-c4ccc(C)c(Cl)c4)c3C)[nH]c2c1 ZINC001448106248 1066899949 /nfs/dbraw/zinc/89/99/49/1066899949.db2.gz RHTVSPAPDKMAJL-HNNXBMFYSA-N 0 1 451.958 4.756 20 0 JJADMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(Br)cc2nc[nH]c21 ZINC001448108889 1066900499 /nfs/dbraw/zinc/90/04/99/1066900499.db2.gz IBSKQXKZSGYHNQ-LLVKDONJSA-N 0 1 450.720 4.646 20 0 JJADMN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccsc3)N(C)C)C2)n1 ZINC001492731791 1066903379 /nfs/dbraw/zinc/90/33/79/1066903379.db2.gz XDGMNIRGHRBCHZ-YADHBBJMSA-N 0 1 469.703 4.886 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H](c2ccsc2)N(C)C)n1 ZINC001492732400 1066905192 /nfs/dbraw/zinc/90/51/92/1066905192.db2.gz OGRZDWQEBZEWHQ-XXBNENTESA-N 0 1 481.645 4.841 20 0 JJADMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1nc(-c2ccccc2)c[nH]1 ZINC001457729957 1066905800 /nfs/dbraw/zinc/90/58/00/1066905800.db2.gz NLWZEESRCFSXRF-UHFFFAOYSA-N 0 1 450.495 4.577 20 0 JJADMN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC001457735484 1066907113 /nfs/dbraw/zinc/90/71/13/1066907113.db2.gz RMJHZDKFGLXABJ-UHFFFAOYSA-N 0 1 452.711 4.931 20 0 JJADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC001457735486 1066907204 /nfs/dbraw/zinc/90/72/04/1066907204.db2.gz RODPEUJKFMCUPS-UHFFFAOYSA-N 0 1 450.695 4.874 20 0 JJADMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001457743104 1066909107 /nfs/dbraw/zinc/90/91/07/1066909107.db2.gz IGMDMHQFLBBNST-UHFFFAOYSA-N 0 1 453.417 4.601 20 0 JJADMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(Cl)ccc2O)c1C ZINC001457758567 1066913262 /nfs/dbraw/zinc/91/32/62/1066913262.db2.gz FBCNSUZTTGAYQY-UHFFFAOYSA-N 0 1 459.955 4.727 20 0 JJADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001457769697 1066915242 /nfs/dbraw/zinc/91/52/42/1066915242.db2.gz YHMJLELHKVLYGH-MRXNPFEDSA-N 0 1 451.792 4.792 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1occc1COc1ccccc1 ZINC001457785388 1066919455 /nfs/dbraw/zinc/91/94/55/1066919455.db2.gz IKFXFCFZQDBMSP-QHCPKHFHSA-N 0 1 459.546 4.712 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C1(c2c(F)cccc2F)CCC1 ZINC001457786448 1066919911 /nfs/dbraw/zinc/91/99/11/1066919911.db2.gz GIGNGGKXXWXNQD-IBGZPJMESA-N 0 1 453.533 4.626 20 0 JJADMN C[C@@H](O)[C@@](C)(CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)Cc1ccccc1 ZINC001457801709 1066923702 /nfs/dbraw/zinc/92/37/02/1066923702.db2.gz IIMADTLURQDDCG-WHLCRQNOSA-N 0 1 456.542 4.680 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccccc4)C[C@@H]3C)n2CC(C)(C)C(C)C)n1 ZINC001492753009 1066926380 /nfs/dbraw/zinc/92/63/80/1066926380.db2.gz IROQUHIOKHXFQC-QHCPKHFHSA-N 0 1 463.674 4.533 20 0 JJADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC001457824496 1066928488 /nfs/dbraw/zinc/92/84/88/1066928488.db2.gz VMHCEYWDDAYVBC-UHFFFAOYSA-N 0 1 459.137 4.587 20 0 JJADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001457842544 1066931572 /nfs/dbraw/zinc/93/15/72/1066931572.db2.gz XQUORZIINGLZOZ-OAHLLOKOSA-N 0 1 458.381 4.624 20 0 JJADMN O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)C(F)(F)c1ccccc1Br ZINC001448499413 1066933548 /nfs/dbraw/zinc/93/35/48/1066933548.db2.gz DGLLXCZIWCLYIT-CQSZACIVSA-N 0 1 452.343 4.985 20 0 JJADMN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 ZINC001448508417 1066934925 /nfs/dbraw/zinc/93/49/25/1066934925.db2.gz VIOURWJTSABBQT-OAQYLSRUSA-N 0 1 450.627 4.863 20 0 JJADMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cc(F)c(Br)cc1F ZINC001457985067 1066952377 /nfs/dbraw/zinc/95/23/77/1066952377.db2.gz XFZNRPGTJBUALY-UHFFFAOYSA-N 0 1 455.280 4.504 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)nn3C)[nH]n2)c1C ZINC001448730164 1066954845 /nfs/dbraw/zinc/95/48/45/1066954845.db2.gz ATAJCOUFHIEYIV-LBPRGKRZSA-N 0 1 453.497 4.792 20 0 JJADMN O=C(CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1)NCCN1CC=CCC1 ZINC001448790403 1066958161 /nfs/dbraw/zinc/95/81/61/1066958161.db2.gz WTWHBNMRCQUADW-UHFFFAOYSA-N 0 1 452.396 4.908 20 0 JJADMN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1O ZINC001448846237 1066963411 /nfs/dbraw/zinc/96/34/11/1066963411.db2.gz JSPLIHWDKGNDBO-UHFFFAOYSA-N 0 1 452.473 4.968 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)[nH]n2)cc1OC ZINC001448904751 1066968974 /nfs/dbraw/zinc/96/89/74/1066968974.db2.gz ITEABHCFRVPXJG-UHFFFAOYSA-N 0 1 457.355 4.966 20 0 JJADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(CN2CCCC2=O)cc1 ZINC001458081914 1066970095 /nfs/dbraw/zinc/97/00/95/1066970095.db2.gz TVALCHOWAASNPE-UHFFFAOYSA-N 0 1 452.383 4.592 20 0 JJADMN CC[C@@H](c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545717876 1066972382 /nfs/dbraw/zinc/97/23/82/1066972382.db2.gz SXJFTCSWPPAHFX-GMKZXUHWSA-N 0 1 465.642 4.967 20 0 JJADMN CC[C@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@@H](c1ccsc1)N(C)C)c1ccccc1 ZINC001545726485 1066983247 /nfs/dbraw/zinc/98/32/47/1066983247.db2.gz QUUXWBLSODFVOU-VJBWXMMDSA-N 0 1 453.656 4.800 20 0 JJADMN CC[C@@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@@H](c1ccsc1)N(C)C)c1ccccc1 ZINC001545726487 1066983343 /nfs/dbraw/zinc/98/33/43/1066983343.db2.gz QUUXWBLSODFVOU-ZLNRFVROSA-N 0 1 453.656 4.800 20 0 JJADMN CCN(CC)[C@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)c1ccc(C(F)(F)F)cc1 ZINC001458129943 1066984226 /nfs/dbraw/zinc/98/42/26/1066984226.db2.gz HPYCREMAFYMFMO-QGZVFWFLSA-N 0 1 459.921 4.888 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC001458144552 1066987189 /nfs/dbraw/zinc/98/71/89/1066987189.db2.gz SMLHZRNSHHGYMK-CQSZACIVSA-N 0 1 452.477 4.948 20 0 JJADMN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cc(Cl)c(O)cc4F)c(=O)c23)cc1 ZINC001449204187 1066989343 /nfs/dbraw/zinc/98/93/43/1066989343.db2.gz NMTQYUBOYUBYAP-UHFFFAOYSA-N 0 1 457.914 4.960 20 0 JJADMN Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449261879 1066993838 /nfs/dbraw/zinc/99/38/38/1066993838.db2.gz QZYHVWVGQNAFCZ-UHFFFAOYSA-N 0 1 455.946 4.753 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3ccc(F)cc3OC3CCOCC3)[nH]n2)c1C ZINC001449359049 1067003511 /nfs/dbraw/zinc/00/35/11/1067003511.db2.gz WKLLUBJTYSFWOM-CQSZACIVSA-N 0 1 455.534 4.810 20 0 JJADMN CC[C@@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741793 1067008423 /nfs/dbraw/zinc/00/84/23/1067008423.db2.gz WQKXAXMXDZDAMM-IRFCIJBXSA-N 0 1 461.601 4.553 20 0 JJADMN O=C(NC[C@@H](c1nc[nH]n1)c1ccccc1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001449452222 1067010050 /nfs/dbraw/zinc/01/00/50/1067010050.db2.gz IGPNQJKXWKOXSU-DENIHFKCSA-N 0 1 450.514 4.865 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545745909 1067013139 /nfs/dbraw/zinc/01/31/39/1067013139.db2.gz ICTHKXLLYGLKKR-BXTSTYNKSA-N 0 1 483.701 4.572 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 ZINC001449574004 1067015287 /nfs/dbraw/zinc/01/52/87/1067015287.db2.gz CJMBRMHJYAFRNG-DHIUTWEWSA-N 0 1 457.659 4.954 20 0 JJADMN COCC[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1cccc(C(F)(F)F)c1 ZINC001449572548 1067015338 /nfs/dbraw/zinc/01/53/38/1067015338.db2.gz CSZKAOMTZZTISH-OAHLLOKOSA-N 0 1 456.262 4.852 20 0 JJADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC001449611568 1067018014 /nfs/dbraw/zinc/01/80/14/1067018014.db2.gz XEUUPJJYTHFGGM-KRWDZBQOSA-N 0 1 458.400 4.581 20 0 JJADMN Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1 ZINC001449663115 1067019367 /nfs/dbraw/zinc/01/93/67/1067019367.db2.gz TVQAPSNRSDOURP-RUZDIDTESA-N 0 1 457.014 4.729 20 0 JJADMN CCSCc1ccc(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001449732468 1067023685 /nfs/dbraw/zinc/02/36/85/1067023685.db2.gz NEFHRFJLJWDGPI-JOCHJYFZSA-N 0 1 457.640 4.904 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545753938 1067029784 /nfs/dbraw/zinc/02/97/84/1067029784.db2.gz BDMPJSSRLGPYBB-IFMALSPDSA-N 0 1 479.591 4.711 20 0 JJADMN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1)CC1CC1 ZINC001449889183 1067034020 /nfs/dbraw/zinc/03/40/20/1067034020.db2.gz CYNNXHYJJCHUPY-UHFFFAOYSA-N 0 1 452.530 4.878 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(C3CCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756909 1067034957 /nfs/dbraw/zinc/03/49/57/1067034957.db2.gz PYHZCLLCDRZBGM-HSZRJFAPSA-N 0 1 496.700 4.798 20 0 JJADMN CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545760559 1067043793 /nfs/dbraw/zinc/04/37/93/1067043793.db2.gz FUMJFVNGETTWES-HFOXQMJASA-N 0 1 483.701 4.571 20 0 JJADMN CSC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)C1 ZINC001450157670 1067055415 /nfs/dbraw/zinc/05/54/15/1067055415.db2.gz MQIPTIXGMXGWRS-MRXNPFEDSA-N 0 1 453.029 4.664 20 0 JJADMN Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458444656 1067061799 /nfs/dbraw/zinc/06/17/99/1067061799.db2.gz AJDFYQDMWPNBDW-KKSFZXQISA-N 0 1 453.783 4.902 20 0 JJADMN COc1ccc(Br)cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458447257 1067063164 /nfs/dbraw/zinc/06/31/64/1067063164.db2.gz KPYREPLZYHWMJK-DJJJIMSYSA-N 0 1 455.755 4.673 20 0 JJADMN CN1CC[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448232 1067063716 /nfs/dbraw/zinc/06/37/16/1067063716.db2.gz NOGCCJLWHBAHSS-DENIHFKCSA-N 0 1 459.993 4.564 20 0 JJADMN C[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)c1cccc(C2CC2)c1 ZINC001450248101 1067063850 /nfs/dbraw/zinc/06/38/50/1067063850.db2.gz OZBCJUXXROFVMO-GFCCVEGCSA-N 0 1 458.299 4.501 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449650 1067064229 /nfs/dbraw/zinc/06/42/29/1067064229.db2.gz SGHYEGFFYYQGOK-UGKGYDQZSA-N 0 1 459.993 4.678 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449002 1067064582 /nfs/dbraw/zinc/06/45/82/1067064582.db2.gz QVPFNPVUFCDQPL-YWZLYKJASA-N 0 1 452.357 4.739 20 0 JJADMN CN1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458449638 1067064789 /nfs/dbraw/zinc/06/47/89/1067064789.db2.gz SGHYEGFFYYQGOK-KNQAVFIVSA-N 0 1 459.993 4.678 20 0 JJADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001458468027 1067069561 /nfs/dbraw/zinc/06/95/61/1067069561.db2.gz AMRBQDVYFYOCQI-UHFFFAOYSA-N 0 1 451.470 4.755 20 0 JJADMN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@H]1c1ccc(OC)cc1 ZINC001458470021 1067070377 /nfs/dbraw/zinc/07/03/77/1067070377.db2.gz LYIPGRCOHFQBGX-DYESRHJHSA-N 0 1 456.493 4.838 20 0 JJADMN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC001458470031 1067070517 /nfs/dbraw/zinc/07/05/17/1067070517.db2.gz LYXVBMZLJIJZOL-UHFFFAOYSA-N 0 1 456.180 4.894 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC3(Cc4ccccc4Br)CC3)n2)cc1 ZINC001450349963 1067072817 /nfs/dbraw/zinc/07/28/17/1067072817.db2.gz NRPAQVFNJLUKFY-UHFFFAOYSA-N 0 1 457.397 4.526 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC(C(C)(C)C)C2)c1 ZINC001450355581 1067073118 /nfs/dbraw/zinc/07/31/18/1067073118.db2.gz OXLBUMXBUOQIJT-UHFFFAOYSA-N 0 1 450.988 4.704 20 0 JJADMN COc1cc2[nH]cc(C(=O)N3CCCCC[C@@H]3Cc3ccccc3Cl)c(=O)c2c(OC)c1 ZINC001450400138 1067075896 /nfs/dbraw/zinc/07/58/96/1067075896.db2.gz XNLMPDITYUYUNT-QGZVFWFLSA-N 0 1 454.954 4.826 20 0 JJADMN CCC(CC)(CNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)OC ZINC001450509301 1067085715 /nfs/dbraw/zinc/08/57/15/1067085715.db2.gz FVQVNBPWNFOFRE-UHFFFAOYSA-N 0 1 459.395 4.729 20 0 JJADMN Cc1cc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)c(C(=O)N[C@H](C)c2ccccc2)cc1F ZINC001450539460 1067088139 /nfs/dbraw/zinc/08/81/39/1067088139.db2.gz KOPRKYPKZRZAAC-QGZVFWFLSA-N 0 1 457.509 4.586 20 0 JJADMN C[C@@H](CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)C(=O)c1ccccc1 ZINC001450701891 1067106764 /nfs/dbraw/zinc/10/67/64/1067106764.db2.gz OZBWHEIENZFOPF-SFHVURJKSA-N 0 1 457.412 4.781 20 0 JJADMN CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1)N1CCOCC1 ZINC001545802871 1067111218 /nfs/dbraw/zinc/11/12/18/1067111218.db2.gz CZFPQAYMGOIJKK-ZODMCCGTSA-N 0 1 469.674 4.505 20 0 JJADMN CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(c2ncc(C)s2)CC1)N1CCOCC1 ZINC001545802908 1067111325 /nfs/dbraw/zinc/11/13/25/1067111325.db2.gz DSPBHTBORABGPM-JOCHJYFZSA-N 0 1 474.719 4.687 20 0 JJADMN 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ZINC001460018867 1067530223 /nfs/dbraw/zinc/53/02/23/1067530223.db2.gz KLMHRPMAIJLLHK-DFBJGRDBSA-N 0 1 455.624 4.612 20 0 JJADMN COC(=O)c1cccc(-c2nc(CN[C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)cs2)c1 ZINC001460030488 1067534097 /nfs/dbraw/zinc/53/40/97/1067534097.db2.gz NCGXEBRFLKMOEM-FQEVSTJZSA-N 0 1 459.612 4.770 20 0 JJADMN COc1ccc2nc(Cl)c(C(=O)Nc3cc(C)cc(CNC(=O)C(F)(F)F)c3)cc2c1 ZINC001460043885 1067537568 /nfs/dbraw/zinc/53/75/68/1067537568.db2.gz ZXNJKQHQOSWVLR-UHFFFAOYSA-N 0 1 451.832 4.636 20 0 JJADMN CCC1CCC(N(CCO)CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC001460057913 1067541505 /nfs/dbraw/zinc/54/15/05/1067541505.db2.gz ZNINTAGKZCEQTQ-HCPAQRILSA-N 0 1 458.002 4.874 20 0 JJADMN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2CCOc2cc(F)cc(Br)c2)C1 ZINC001460068164 1067545261 /nfs/dbraw/zinc/54/52/61/1067545261.db2.gz DIPZLIZLNYYEBS-VQIMIIECSA-N 0 1 457.384 4.690 20 0 JJADMN FC(F)(F)c1ccc(C[C@]2(NCc3cn4cc(Br)ccc4n3)CCOC2)cc1 ZINC001460075340 1067547383 /nfs/dbraw/zinc/54/73/83/1067547383.db2.gz ZSFAEVWKBYGNIP-LJQANCHMSA-N 0 1 454.290 4.607 20 0 JJADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077318 1067548096 /nfs/dbraw/zinc/54/80/96/1067548096.db2.gz APTQLFWSBHUPTQ-DVECYGJZSA-N 0 1 456.652 4.792 20 0 JJADMN CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC001460094333 1067553213 /nfs/dbraw/zinc/55/32/13/1067553213.db2.gz QMHIIOOPIPGDPX-IIBYNOLFSA-N 0 1 452.437 4.656 20 0 JJADMN CCOc1cccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)c1 ZINC001460096388 1067553818 /nfs/dbraw/zinc/55/38/18/1067553818.db2.gz RJZGCVLLGOCEEI-VGMNTSGFSA-N 0 1 458.400 4.640 20 0 JJADMN CCOc1cccc(/C=C\C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)c1 ZINC001460096381 1067553858 /nfs/dbraw/zinc/55/38/58/1067553858.db2.gz RJZGCVLLGOCEEI-SDMNGIDPSA-N 0 1 458.400 4.640 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113822 1067557994 /nfs/dbraw/zinc/55/79/94/1067557994.db2.gz YXNNLOKBAJUCLC-OALUTQOASA-N 0 1 456.583 4.530 20 0 JJADMN CCc1cc2c(C[N@H+]3CCC[C@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113822 1067557998 /nfs/dbraw/zinc/55/79/98/1067557998.db2.gz YXNNLOKBAJUCLC-OALUTQOASA-N 0 1 456.583 4.530 20 0 JJADMN CN(C)c1cc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)ncc1Br ZINC001460120506 1067559368 /nfs/dbraw/zinc/55/93/68/1067559368.db2.gz VRDRHFLSYILBRQ-UHFFFAOYSA-N 0 1 453.384 4.794 20 0 JJADMN O=C(CN[C@H](CCO)c1cccc(C(F)(F)F)c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460143083 1067563946 /nfs/dbraw/zinc/56/39/46/1067563946.db2.gz VKDDQFIZNYGKBO-GGAORHGYSA-N 0 1 452.492 4.905 20 0 JJADMN CCOC(=O)[C@H](CCc1ccccc1)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460160031 1067567667 /nfs/dbraw/zinc/56/76/67/1067567667.db2.gz UJEPXXQBQNGEBZ-SMIHKQSGSA-N 0 1 458.643 4.910 20 0 JJADMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001460167343 1067568358 /nfs/dbraw/zinc/56/83/58/1067568358.db2.gz SCPPPTNHYALERZ-QFIPXVFZSA-N 0 1 457.393 4.889 20 0 JJADMN COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171825 1067569552 /nfs/dbraw/zinc/56/95/52/1067569552.db2.gz BNRGCUQDQCTNGQ-CVEARBPZSA-N 0 1 455.580 4.822 20 0 JJADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001460181520 1067573084 /nfs/dbraw/zinc/57/30/84/1067573084.db2.gz QDBQHBNRZKURIX-ZHRRBRCNSA-N 0 1 455.352 4.892 20 0 JJADMN CC(C)(C)OC(=O)NCCC[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC001460183185 1067573388 /nfs/dbraw/zinc/57/33/88/1067573388.db2.gz DFESCTJFBHWKQK-QHCPKHFHSA-N 0 1 451.611 4.818 20 0 JJADMN O=C(CN[C@H](c1ccccc1)C1(CO)CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001460211384 1067580409 /nfs/dbraw/zinc/58/04/09/1067580409.db2.gz CECAQFUOBYULEX-AREMUKBSSA-N 0 1 457.574 4.761 20 0 JJADMN O=C(CN[C@@H](c1ccccc1)C1(CO)CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001460213574 1067581104 /nfs/dbraw/zinc/58/11/04/1067581104.db2.gz JDQJDVDTSUUVKO-QFIPXVFZSA-N 0 1 457.546 4.910 20 0 JJADMN O=C(CN[C@@H](c1ccccc1)C1(CO)CCCC1)Nc1ccc(Br)cc1Cl ZINC001460218046 1067582341 /nfs/dbraw/zinc/58/23/41/1067582341.db2.gz WLYJYRPKEOKAHM-FQEVSTJZSA-N 0 1 451.792 4.925 20 0 JJADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCSC[C@H]1C1CCC1 ZINC001460273442 1067595290 /nfs/dbraw/zinc/59/52/90/1067595290.db2.gz URSMUTJABWCBJH-DVECYGJZSA-N 0 1 451.636 4.676 20 0 JJADMN COc1ccc(Br)cc1C1([NH2+]Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC001460278843 1067596510 /nfs/dbraw/zinc/59/65/10/1067596510.db2.gz PBOYWIASSIYNCX-UHFFFAOYSA-N 0 1 450.716 4.702 20 0 JJADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CCC1)Nc1ccc(Br)cc1Cl ZINC001460297379 1067600935 /nfs/dbraw/zinc/60/09/35/1067600935.db2.gz WTJMPAVOEVXVHA-HXUWFJFHSA-N 0 1 451.792 4.704 20 0 JJADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303259 1067602781 /nfs/dbraw/zinc/60/27/81/1067602781.db2.gz XYMYYGBPCBGMLR-VCFYHUQZSA-N 0 1 452.570 4.545 20 0 JJADMN C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303257 1067602816 /nfs/dbraw/zinc/60/28/16/1067602816.db2.gz XYMYYGBPCBGMLR-LDLZHSJESA-N 0 1 452.570 4.545 20 0 JJADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303256 1067602907 /nfs/dbraw/zinc/60/29/07/1067602907.db2.gz XYMYYGBPCBGMLR-ABQRKTDGSA-N 0 1 452.570 4.545 20 0 JJADMN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1C ZINC001460308081 1067604351 /nfs/dbraw/zinc/60/43/51/1067604351.db2.gz MQCQTKHJUDWUEI-WOIUINJBSA-N 0 1 455.599 4.723 20 0 JJADMN Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460343313 1067612927 /nfs/dbraw/zinc/61/29/27/1067612927.db2.gz ZGMSFZKEMJREQR-XXBNENTESA-N 0 1 458.647 4.549 20 0 JJADMN O=C(c1cncc(C(F)(F)F)c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001460347485 1067613773 /nfs/dbraw/zinc/61/37/73/1067613773.db2.gz DXNJTOYDWYQFPR-HSZRJFAPSA-N 0 1 454.496 4.802 20 0 JJADMN CC(C)COc1ncccc1C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001460350575 1067614542 /nfs/dbraw/zinc/61/45/42/1067614542.db2.gz RNTXXIXYNVZKAS-RUZDIDTESA-N 0 1 458.606 4.818 20 0 JJADMN CCOC(=O)C1C(CN[C@H](c2ccccc2F)C(C)C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460366389 1067619414 /nfs/dbraw/zinc/61/94/14/1067619414.db2.gz WFQFEMZPQNBQOU-VXKWHMMOSA-N 0 1 459.949 4.637 20 0 JJADMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(CC(=O)NCC1(c3ccccc3)CCCCC1)C2 ZINC001460367212 1067619469 /nfs/dbraw/zinc/61/94/69/1067619469.db2.gz ZQIYLDJUWLKDCN-FIPFOOKPSA-N 0 1 469.670 4.632 20 0 JJADMN CCc1ccc([C@H](NC(=O)CN2CC[C@H](C(=O)OC)[C@H]3CCCC[C@@H]32)c2cccs2)cc1 ZINC001460368414 1067620006 /nfs/dbraw/zinc/62/00/06/1067620006.db2.gz XXGSVCXIABOYNP-KXEAFHOWSA-N 0 1 454.636 4.570 20 0 JJADMN COc1ncc(Br)cc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001460408785 1067629213 /nfs/dbraw/zinc/62/92/13/1067629213.db2.gz NEDFCVFTLKWWPI-WOJBJXKFSA-N 0 1 476.415 4.736 20 0 JJADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413016 1067630240 /nfs/dbraw/zinc/63/02/40/1067630240.db2.gz UDOVNMUFFQQLEB-FUHWJXTLSA-N 0 1 451.558 4.651 20 0 JJADMN CC(C)CN(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1cccc(C(F)(F)F)c1 ZINC001460514223 1067647159 /nfs/dbraw/zinc/64/71/59/1067647159.db2.gz JKYBOFCVPXXBKD-UHFFFAOYSA-N 0 1 451.508 4.651 20 0 JJADMN CCOC(=O)C1=C(CN[C@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600652 1067667097 /nfs/dbraw/zinc/66/70/97/1067667097.db2.gz FUWYTBJGFLCVKY-XUZZJYLKSA-N 0 1 459.949 4.565 20 0 JJADMN COc1ccc(C(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC001460618157 1067674491 /nfs/dbraw/zinc/67/44/91/1067674491.db2.gz SLHRRBMYZNAMFY-SQHAQQRYSA-N 0 1 480.992 4.683 20 0 JJADMN COC(=O)c1c(NC(=O)CN[C@H](C)c2cccc(OC(F)(F)F)c2)sc2c1CCCC2 ZINC001460747958 1067714930 /nfs/dbraw/zinc/71/49/30/1067714930.db2.gz XIJMHYMYDSAOFI-GFCCVEGCSA-N 0 1 456.486 4.601 20 0 JJADMN CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC001460758549 1067718212 /nfs/dbraw/zinc/71/82/12/1067718212.db2.gz AORSXTLYGVGYFO-VOQZNFBZSA-N 0 1 453.583 4.778 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](C[C@H](O)c1ccccc1Br)C2 ZINC001460777570 1067721508 /nfs/dbraw/zinc/72/15/08/1067721508.db2.gz GKAUGMOXKYTUHF-UGKGYDQZSA-N 0 1 453.421 4.596 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C[C@H](O)c1ccccc1Br)C2 ZINC001460777570 1067721514 /nfs/dbraw/zinc/72/15/14/1067721514.db2.gz GKAUGMOXKYTUHF-UGKGYDQZSA-N 0 1 453.421 4.596 20 0 JJADMN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN[C@H](C)c2c(F)cccc2F)cc1 ZINC001460808729 1067727829 /nfs/dbraw/zinc/72/78/29/1067727829.db2.gz HJBNCQOGOAPOMF-MRXNPFEDSA-N 0 1 453.489 4.905 20 0 JJADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001460811468 1067728258 /nfs/dbraw/zinc/72/82/58/1067728258.db2.gz ILXCLUPGLHARMQ-QFIPXVFZSA-N 0 1 452.555 4.628 20 0 JJADMN Cc1ccc([C@@H](NC(=O)CN2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001460863846 1067737233 /nfs/dbraw/zinc/73/72/33/1067737233.db2.gz XHHBMZNKSDWXJK-XMMPIXPASA-N 0 1 457.659 4.825 20 0 JJADMN COc1ccccc1NC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC001460910708 1067746648 /nfs/dbraw/zinc/74/66/48/1067746648.db2.gz ZIAAKITXJRJITF-JXALWOEJSA-N 0 1 459.590 4.765 20 0 JJADMN CCOc1ccc(CCN(C)[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC001460921113 1067748374 /nfs/dbraw/zinc/74/83/74/1067748374.db2.gz UZRFUFNEBBYOFP-GOSISDBHSA-N 0 1 451.592 4.901 20 0 JJADMN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN(C)[C@@H]1CCc2ccccc2C1 ZINC001460930782 1067749985 /nfs/dbraw/zinc/74/99/85/1067749985.db2.gz BQQDOSIBUXXPQK-LJQANCHMSA-N 0 1 451.592 4.518 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1nnc(-c3c(Cl)cccc3Cl)o1)C2 ZINC001460931887 1067750472 /nfs/dbraw/zinc/75/04/72/1067750472.db2.gz QVARCRUDFYFBMV-MJBXVCDLSA-N 0 1 453.370 4.921 20 0 JJADMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983206 1067756973 /nfs/dbraw/zinc/75/69/73/1067756973.db2.gz UZHOINNSUQTIDM-IRXDYDNUSA-N 0 1 451.558 4.699 20 0 JJADMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983201 1067756998 /nfs/dbraw/zinc/75/69/98/1067756998.db2.gz UZHOINNSUQTIDM-DLBZAZTESA-N 0 1 451.558 4.699 20 0 JJADMN CC[C@H](NCc1ccc(Br)cc1SC)c1ccccc1OCC(=O)N(C)C ZINC001461064841 1067774329 /nfs/dbraw/zinc/77/43/29/1067774329.db2.gz QXXOTQRYHRXNNP-SFHVURJKSA-N 0 1 451.430 4.879 20 0 JJADMN COc1ccc(CNC(=O)CNCc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1 ZINC001461107121 1067783078 /nfs/dbraw/zinc/78/30/78/1067783078.db2.gz VEZXSGFGSZQMGT-UHFFFAOYSA-N 0 1 454.574 4.571 20 0 JJADMN CC[C@@H](C)[C@@H](NCc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146341 1067789078 /nfs/dbraw/zinc/78/90/78/1067789078.db2.gz CQWLLEICBNJCHE-OPAMFIHVSA-N 0 1 459.432 4.896 20 0 JJADMN CC[C@H](C)[C@@H](NCc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146337 1067789173 /nfs/dbraw/zinc/78/91/73/1067789173.db2.gz CQWLLEICBNJCHE-KSFYIVLOSA-N 0 1 459.432 4.896 20 0 JJADMN O=C(Nc1cccc(CNCc2ccnc(OC3CCOCC3)c2)c1)c1ccccc1Cl ZINC001461199094 1067798340 /nfs/dbraw/zinc/79/83/40/1067798340.db2.gz ZLSQEWCVISDBHD-UHFFFAOYSA-N 0 1 451.954 4.835 20 0 JJADMN CN(c1ccccc1)c1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC001461207713 1067799853 /nfs/dbraw/zinc/79/98/53/1067799853.db2.gz APOGKRVVFAIQHY-QFIPXVFZSA-N 0 1 452.505 4.736 20 0 JJADMN Cc1ccc(N2CCC[C@@H](NCc3ccc(Br)c(Br)c3)C2=O)cc1 ZINC001461253943 1067810957 /nfs/dbraw/zinc/81/09/57/1067810957.db2.gz QWVTYPIFBCJZOX-GOSISDBHSA-N 0 1 452.190 4.805 20 0 JJADMN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2cn3ccc(Br)cc3n2)cc1 ZINC001461286550 1067818085 /nfs/dbraw/zinc/81/80/85/1067818085.db2.gz UPRCOHCVHGYNCZ-HNNXBMFYSA-N 0 1 459.388 4.972 20 0 JJADMN COc1ncc(Br)cc1CNCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001461288032 1067818847 /nfs/dbraw/zinc/81/88/47/1067818847.db2.gz YWNTUBNTYYDLLZ-AWEZNQCLSA-N 0 1 450.377 4.728 20 0 JJADMN C[C@@H]1CN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001461298609 1067821522 /nfs/dbraw/zinc/82/15/22/1067821522.db2.gz DFSKRPATPLNUNC-CEXWTWQISA-N 0 1 453.583 4.985 20 0 JJADMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001461298611 1067821915 /nfs/dbraw/zinc/82/19/15/1067821915.db2.gz DFSKRPATPLNUNC-GBESFXJTSA-N 0 1 453.583 4.985 20 0 JJADMN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001461298906 1067822123 /nfs/dbraw/zinc/82/21/23/1067822123.db2.gz GPOZPWLIIMTOLS-WDSOQIARSA-N 0 1 450.608 4.890 20 0 JJADMN COc1cc(CNCc2ccc(C)cc2O[C@H]2CCOC2)ccc1OCc1c(C)noc1C ZINC001461339547 1067833527 /nfs/dbraw/zinc/83/35/27/1067833527.db2.gz KXTMTZZOCKCDRP-QFIPXVFZSA-N 0 1 452.551 4.645 20 0 JJADMN O=C(CCc1ccccc1)N1CC[C@H](NCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001461342647 1067834360 /nfs/dbraw/zinc/83/43/60/1067834360.db2.gz VCGIDGJCOXVJHA-SFHVURJKSA-N 0 1 455.318 4.791 20 0 JJADMN COc1cccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1OC(C)C ZINC001461346052 1067835217 /nfs/dbraw/zinc/83/52/17/1067835217.db2.gz OTQAUQSXHKOXCQ-UHFFFAOYSA-N 0 1 458.555 4.712 20 0 JJADMN FC(F)(F)c1cccnc1OCCNCc1cc(Br)ccc1Br ZINC001461353986 1067836822 /nfs/dbraw/zinc/83/68/22/1067836822.db2.gz VRHNGPPMEBVSJC-UHFFFAOYSA-N 0 1 454.084 4.794 20 0 JJADMN CCCOc1c(Br)cc(CN[C@H](CC(N)=O)c2cccc(Cl)c2)cc1OC ZINC001461395742 1067845550 /nfs/dbraw/zinc/84/55/50/1067845550.db2.gz XCDXBSYNWYTKNR-QGZVFWFLSA-N 0 1 455.780 4.606 20 0 JJADMN C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001461414403 1067849901 /nfs/dbraw/zinc/84/99/01/1067849901.db2.gz AGAJMFWVVYFQCW-UAOJZALGSA-N 0 1 470.894 4.721 20 0 JJADMN CSc1ccc(/C=C\C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC001461421331 1067852872 /nfs/dbraw/zinc/85/28/72/1067852872.db2.gz VWKKMHRSQKGNLU-GECAAYIISA-N 0 1 472.529 4.686 20 0 JJADMN COc1cc(CN[C@H]2CCCN(C3CCCCC3)C2=O)cc(OC)c1OCc1ccccc1 ZINC001461434055 1067855471 /nfs/dbraw/zinc/85/54/71/1067855471.db2.gz FXVXLDTVNTYENP-QHCPKHFHSA-N 0 1 452.595 4.696 20 0 JJADMN COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1cccc(CN(C)Cc3ccccc3)c1)CCC2 ZINC001461447459 1067859040 /nfs/dbraw/zinc/85/90/40/1067859040.db2.gz YUZTVWIKWOIRNB-SANMLTNESA-N 0 1 456.586 4.955 20 0 JJADMN Cc1nn(C(C)(C)C)c2nc(Cl)c(CNC[C@H](O)c3cccc(Br)c3)cc12 ZINC001461458401 1067861798 /nfs/dbraw/zinc/86/17/98/1067861798.db2.gz LPEYQMGMPTVCGA-KRWDZBQOSA-N 0 1 451.796 4.734 20 0 JJADMN CCOc1cc(CNC[C@H]2CCCS2(=O)=O)ccc1OCc1c(Cl)cccc1Cl ZINC001461499633 1067876958 /nfs/dbraw/zinc/87/69/58/1067876958.db2.gz CDHDZRBSXFKBQY-MRXNPFEDSA-N 0 1 458.407 4.638 20 0 JJADMN COc1cc(CNCc2n[nH]c(C(C)(C)C)n2)cc(Br)c1OCc1ccccc1 ZINC001461566841 1067890450 /nfs/dbraw/zinc/89/04/50/1067890450.db2.gz VZODQVJJCKBGKG-UHFFFAOYSA-N 0 1 459.388 4.742 20 0 JJADMN O[C@@H](CNCc1cc(OC(F)F)ccc1Br)c1ccccc1Br ZINC001461578211 1067892516 /nfs/dbraw/zinc/89/25/16/1067892516.db2.gz FSSSBTQDTBQTTG-HNNXBMFYSA-N 0 1 451.105 4.636 20 0 JJADMN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c(Br)c1 ZINC001461593397 1067896688 /nfs/dbraw/zinc/89/66/88/1067896688.db2.gz AHGXZHKOMQEPHU-UGKGYDQZSA-N 0 1 459.428 4.894 20 0 JJADMN Cc1cc(CNCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)c(Br)cc1F ZINC001461652392 1067910459 /nfs/dbraw/zinc/91/04/59/1067910459.db2.gz KWTJYWKCKQIXHV-UHFFFAOYSA-N 0 1 457.343 4.718 20 0 JJADMN COc1cc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC001461695633 1067919943 /nfs/dbraw/zinc/91/99/43/1067919943.db2.gz NWUNKNSAODPKPZ-HXUWFJFHSA-N 0 1 450.457 4.721 20 0 JJADMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001461721802 1067925542 /nfs/dbraw/zinc/92/55/42/1067925542.db2.gz FPHQKBRPHKUNIJ-XMMPIXPASA-N 0 1 451.611 4.785 20 0 JJADMN O=C(Nc1nc2ccc(I)cc2[nH]1)c1cc2c(cncc2Cl)s1 ZINC001461771490 1067933929 /nfs/dbraw/zinc/93/39/29/1067933929.db2.gz KLFQXYFTDTUWNB-UHFFFAOYSA-N 0 1 454.680 4.683 20 0 JJADMN O=C(Nc1nc2ccc(I)cc2[nH]1)c1ccccc1CCC(F)(F)F ZINC001461773209 1067934572 /nfs/dbraw/zinc/93/45/72/1067934572.db2.gz RDCBFBYMYOFMCS-UHFFFAOYSA-N 0 1 459.209 4.915 20 0 JJADMN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC001461786352 1067936869 /nfs/dbraw/zinc/93/68/69/1067936869.db2.gz SMJDDKYGFJFJHA-TZIWHRDSSA-N 0 1 450.938 4.995 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2c(Cl)cccc2OCc2ccccc2Cl)C1 ZINC001461838904 1067944669 /nfs/dbraw/zinc/94/46/69/1067944669.db2.gz VGAFGYDZRSNNHQ-LAUBAEHRSA-N 0 1 481.420 4.890 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CN3CCC[C@@H]3[C@@H](O)C(F)(F)F)n2)cc1 ZINC001461849752 1067946566 /nfs/dbraw/zinc/94/65/66/1067946566.db2.gz NBPBJTOVNLJPGV-WOJBJXKFSA-N 0 1 451.489 4.983 20 0 JJADMN O=C(Nc1ccccc1Br)C1CCN(Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC001461850889 1067946708 /nfs/dbraw/zinc/94/67/08/1067946708.db2.gz GUEJXRGDYQIMFT-UHFFFAOYSA-N 0 1 457.347 4.625 20 0 JJADMN CO[C@@H](C)c1nc(CN2CCCN(Cc3c(C)nn(-c4ccccc4C)c3C)CC2)cs1 ZINC001461880425 1067953665 /nfs/dbraw/zinc/95/36/65/1067953665.db2.gz GZYJZODSHQDZGA-NRFANRHFSA-N 0 1 453.656 4.669 20 0 JJADMN CO[C@H](C)c1nc(CN2CCCN(Cc3c(C)nn(-c4ccccc4C)c3C)CC2)cs1 ZINC001461880432 1067953718 /nfs/dbraw/zinc/95/37/18/1067953718.db2.gz GZYJZODSHQDZGA-OAQYLSRUSA-N 0 1 453.656 4.669 20 0 JJADMN Cc1cc(CN(Cc2cn(C)nc2-c2ccc(F)cc2)CC(C)C)nc(N2CCCCC2)n1 ZINC001461914085 1067960147 /nfs/dbraw/zinc/96/01/47/1067960147.db2.gz RPJXFZNDVXKKNK-UHFFFAOYSA-N 0 1 450.606 4.973 20 0 JJADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001461914220 1067960165 /nfs/dbraw/zinc/96/01/65/1067960165.db2.gz URPMNMNGAPTGDJ-OLZOCXBDSA-N 0 1 455.493 4.986 20 0 JJADMN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001461916621 1067960621 /nfs/dbraw/zinc/96/06/21/1067960621.db2.gz HFIRTVHDJNCZNT-SECBINFHSA-N 0 1 454.111 4.697 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CN2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001461948940 1067967246 /nfs/dbraw/zinc/96/72/46/1067967246.db2.gz JLQLREVTCIDTDY-FCHUYYIVSA-N 0 1 457.594 4.586 20 0 JJADMN CCN(Cc1cc(Br)cnc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001461985807 1067975310 /nfs/dbraw/zinc/97/53/10/1067975310.db2.gz GLJRCKDQDSQTFD-UHFFFAOYSA-N 0 1 450.400 4.696 20 0 JJADMN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN(Cc2ccco2)Cc2cccs2)cnn1C ZINC001462036055 1067985521 /nfs/dbraw/zinc/98/55/21/1067985521.db2.gz CZLVVTNHMCMWPD-IBGZPJMESA-N 0 1 458.628 4.769 20 0 JJADMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001462143519 1068014168 /nfs/dbraw/zinc/01/41/68/1068014168.db2.gz BMPYXQRCYACNGJ-QLJPJBMISA-N 0 1 457.727 4.691 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCO[C@H](c2ccccc2OC)C1)c1cccc(C(F)(F)F)c1 ZINC001462167008 1068020722 /nfs/dbraw/zinc/02/07/22/1068020722.db2.gz KWKALJRRYWGFLM-VXKWHMMOSA-N 0 1 450.501 4.697 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001462190026 1068025765 /nfs/dbraw/zinc/02/57/65/1068025765.db2.gz LIRQPUCEQGDVPW-CQSZACIVSA-N 0 1 452.464 4.537 20 0 JJADMN OC1(Cc2ccc(OC(F)(F)F)cc2)CCN(Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC001462204677 1068028957 /nfs/dbraw/zinc/02/89/57/1068028957.db2.gz OBYLDVLCDRJGFI-UHFFFAOYSA-N 0 1 452.423 4.981 20 0 JJADMN Oc1cc(Br)cnc1CN1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001462216891 1068030849 /nfs/dbraw/zinc/03/08/49/1068030849.db2.gz UQPZDYJPLNEXLM-UHFFFAOYSA-N 0 1 450.686 4.544 20 0 JJADMN CC(C)N(CC(=O)N1CCCCCC1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC001462223021 1068031813 /nfs/dbraw/zinc/03/18/13/1068031813.db2.gz SJGYPWWFNUYQLE-UHFFFAOYSA-N 0 1 451.327 4.961 20 0 JJADMN Brc1ncccc1CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001462263308 1068040711 /nfs/dbraw/zinc/04/07/11/1068040711.db2.gz PHBKNZPLUKEIFH-AWEZNQCLSA-N 0 1 457.153 4.513 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC001462337408 1068054058 /nfs/dbraw/zinc/05/40/58/1068054058.db2.gz BZJHWXOLBNAXIC-UXHICEINSA-N 0 1 453.421 4.733 20 0 JJADMN CCN1CCN(c2ccc(NC(=O)c3ccc(Br)c(Cl)c3F)cc2F)CC1 ZINC001462359039 1068059015 /nfs/dbraw/zinc/05/90/15/1068059015.db2.gz DXJMZXOVHWIXBL-UHFFFAOYSA-N 0 1 458.734 4.775 20 0 JJADMN Cn1cc([C@@H]2CN(Cc3ccc(Oc4cccc(F)c4)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001462368863 1068061578 /nfs/dbraw/zinc/06/15/78/1068061578.db2.gz BTCNRWKKCQUHMV-BJKOFHAPSA-N 0 1 466.557 4.844 20 0 JJADMN COCCN(C(=O)OC(C)(C)C)C1CCN(C[C@@H](C)c2cccc(Br)c2)CC1 ZINC001462413367 1068069241 /nfs/dbraw/zinc/06/92/41/1068069241.db2.gz XTHBCUGHCBWGNF-QGZVFWFLSA-N 0 1 455.437 4.901 20 0 JJADMN COC(=O)c1ccc(COc2ccc(CN3CCS[C@H](c4ccccc4)C3)cc2OC)o1 ZINC001462415174 1068070091 /nfs/dbraw/zinc/07/00/91/1068070091.db2.gz OPMXBAXKBSPEDD-DEOSSOPVSA-N 0 1 453.560 4.944 20 0 JJADMN Cc1cc(Br)c(CN2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC001462440463 1068074745 /nfs/dbraw/zinc/07/47/45/1068074745.db2.gz PQEJXKHUIITSLT-AWEZNQCLSA-N 0 1 453.368 4.832 20 0 JJADMN Cc1nc(CN2CCN(Cc3cc(F)ccc3Oc3ccc(Cl)c(Cl)c3)CC2)n[nH]1 ZINC001462442775 1068075037 /nfs/dbraw/zinc/07/50/37/1068075037.db2.gz OKELWGCEINIXBG-UHFFFAOYSA-N 0 1 450.345 4.669 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC001462489782 1068083993 /nfs/dbraw/zinc/08/39/93/1068083993.db2.gz USAIVWLRNQFRQD-MUUNZHRXSA-N 0 1 457.618 4.997 20 0 JJADMN Cc1cc(Br)c(CN2CC3(CN(Cc4ccccc4)C3)C2)cc1Br ZINC001462507823 1068087598 /nfs/dbraw/zinc/08/75/98/1068087598.db2.gz UZNPTTXISOPEKU-UHFFFAOYSA-N 0 1 450.218 4.838 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3c(C)nn(C(C)(C)C)c3C)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462520745 1068090361 /nfs/dbraw/zinc/09/03/61/1068090361.db2.gz RLIJIZXWKGKBAG-XZOQPEGZSA-N 0 1 456.631 4.756 20 0 JJADMN COc1ccc(C2=NO[C@@H](CNCc3ccccc3OCc3ccc(F)cc3F)C2)cc1F ZINC001462544160 1068095056 /nfs/dbraw/zinc/09/50/56/1068095056.db2.gz CYJFKQNCYATWAV-HXUWFJFHSA-N 0 1 456.464 4.974 20 0 JJADMN CCOc1cc(CN2CCN([C@H](CC)c3ccc(F)cc3)CC2)cc(Br)c1O ZINC001462555918 1068097653 /nfs/dbraw/zinc/09/76/53/1068097653.db2.gz LPVGZZVNUUZGED-HXUWFJFHSA-N 0 1 451.380 4.961 20 0 JJADMN CN(C)c1nc(CNC2(CCO)CCCCC2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462557127 1068098059 /nfs/dbraw/zinc/09/80/59/1068098059.db2.gz QJSAZICITFZPIF-UHFFFAOYSA-N 0 1 455.828 4.529 20 0 JJADMN COC(=O)c1ccc(COc2ccc(CN3CC[C@H](c4c(F)cccc4F)C3)cc2OC)o1 ZINC001462576249 1068102513 /nfs/dbraw/zinc/10/25/13/1068102513.db2.gz BVNRGEOCGQJNGS-KRWDZBQOSA-N 0 1 457.473 4.922 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CN2CCC(CCc3ccccc3)CC2)C1 ZINC001462585589 1068105184 /nfs/dbraw/zinc/10/51/84/1068105184.db2.gz HTYVPZDKMNFBDQ-QHCPKHFHSA-N 0 1 453.631 4.695 20 0 JJADMN CCn1cc(CN2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)c(-c2ccccc2)n1 ZINC001462610939 1068111549 /nfs/dbraw/zinc/11/15/49/1068111549.db2.gz IIYCSASACIXGQJ-UHFFFAOYSA-N 0 1 454.615 4.608 20 0 JJADMN COc1cc(C(=O)Nc2nc3cccc(Br)c3[nH]2)ccc1OCc1cscn1 ZINC001462710944 1068139031 /nfs/dbraw/zinc/13/90/31/1068139031.db2.gz NSHOANVHZZSNNC-UHFFFAOYSA-N 0 1 459.325 4.622 20 0 JJADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)OCc1ccc(Cl)cc1 ZINC001462756193 1068156906 /nfs/dbraw/zinc/15/69/06/1068156906.db2.gz AGIUWIMPBBAVEB-UHFFFAOYSA-N 0 1 455.908 4.797 20 0 JJADMN O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)s1 ZINC001462803947 1068171761 /nfs/dbraw/zinc/17/17/61/1068171761.db2.gz GDSIUTBLLYTPLD-VXGBXAGGSA-N 0 1 458.449 4.998 20 0 JJADMN O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001462820281 1068176168 /nfs/dbraw/zinc/17/61/68/1068176168.db2.gz WZHPCGASLTUSJV-UHFFFAOYSA-N 0 1 456.995 4.859 20 0 JJADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)N2CCCC2)cc1 ZINC001462956316 1068228835 /nfs/dbraw/zinc/22/88/35/1068228835.db2.gz PXOPYMBOPUPOFF-SFHVURJKSA-N 0 1 457.821 4.526 20 0 JJADMN CCC(CC)(CNS(=O)(=O)c1c(O)cccc1OC(F)(F)F)c1ccc(Cl)cc1 ZINC001462976717 1068235838 /nfs/dbraw/zinc/23/58/38/1068235838.db2.gz BEWCSOCGJZLYIL-UHFFFAOYSA-N 0 1 451.894 4.981 20 0 JJADMN O=S(=O)(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1c(O)cccc1OC(F)(F)F ZINC001463192542 1068316202 /nfs/dbraw/zinc/31/62/02/1068316202.db2.gz HXJFPYUKLVXLTG-UHFFFAOYSA-N 0 1 455.376 4.667 20 0 JJADMN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC[C@@H]3CCCCN3C)cc12 ZINC001463219850 1068324071 /nfs/dbraw/zinc/32/40/71/1068324071.db2.gz AQVGRJFZZHBJKS-INIZCTEOSA-N 0 1 451.423 4.975 20 0 JJADMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC001463285593 1068344096 /nfs/dbraw/zinc/34/40/96/1068344096.db2.gz YGDFYPJGFZOQBL-MRVPVSSYSA-N 0 1 450.706 4.875 20 0 JJADMN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NS(=O)(=O)c1ccccc1O ZINC001463294693 1068347918 /nfs/dbraw/zinc/34/79/18/1068347918.db2.gz PIUQTQGJMQJIKZ-GFCCVEGCSA-N 0 1 453.383 4.626 20 0 JJADMN CCOC(=O)c1cccc2nc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)[nH]c21 ZINC001463316571 1068353609 /nfs/dbraw/zinc/35/36/09/1068353609.db2.gz UGZFCLUYHVSCMV-UHFFFAOYSA-N 0 1 458.902 4.992 20 0 JJADMN COc1cc(Br)cc2sc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)nc21 ZINC001463346631 1068366067 /nfs/dbraw/zinc/36/60/67/1068366067.db2.gz JZTTVMNUSUUBNI-ZJUUUORDSA-N 0 1 453.280 4.754 20 0 JJADMN O=S(=O)(N[C@H](CN1CCCCC1)c1ccccc1)c1c(Cl)cccc1Br ZINC001463521676 1068426680 /nfs/dbraw/zinc/42/66/80/1068426680.db2.gz VIXWOUQDQBNUKT-GOSISDBHSA-N 0 1 457.821 4.608 20 0 JJADMN COc1cccc([C@@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)N2CCCC2)c1 ZINC001463553943 1068439475 /nfs/dbraw/zinc/43/94/75/1068439475.db2.gz AREJLAAZFBIGPF-LJQANCHMSA-N 0 1 453.327 4.503 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2cc(Cl)c(F)cc2Br)N2CCCC2)c1 ZINC001463559401 1068442551 /nfs/dbraw/zinc/44/25/51/1068442551.db2.gz RSKWOAKFDXBGSV-LJQANCHMSA-N 0 1 455.755 4.817 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)N2CCCC2)c1 ZINC001463559497 1068442591 /nfs/dbraw/zinc/44/25/91/1068442591.db2.gz TWSLOGZVCJGYEM-QFIPXVFZSA-N 0 1 459.377 4.755 20 0 JJADMN COc1ccc([C@H](CNC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)N2CCCC2)cc1 ZINC001463561116 1068443218 /nfs/dbraw/zinc/44/32/18/1068443218.db2.gz CIKWWRKCMMYFMA-FQEVSTJZSA-N 0 1 459.468 4.936 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1cc(Br)cc2cccnc21)N1CCCC1 ZINC001463570441 1068450396 /nfs/dbraw/zinc/45/03/96/1068450396.db2.gz HGJQJKVSMMJXCQ-HXUWFJFHSA-N 0 1 454.368 4.573 20 0 JJADMN CSc1nc2ccc(NC(=O)c3cn[nH]c3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2s1 ZINC001463588722 1068458227 /nfs/dbraw/zinc/45/82/27/1068458227.db2.gz BYSZCUUOHUXOOA-GFCCVEGCSA-N 0 1 459.597 4.718 20 0 JJADMN O=S(=O)(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cscc1Br ZINC001463612541 1068466208 /nfs/dbraw/zinc/46/62/08/1068466208.db2.gz PQSMMUWKWZKOCK-NSHDSACASA-N 0 1 452.676 4.885 20 0 JJADMN O=S(=O)(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cscc1Br ZINC001463612537 1068466286 /nfs/dbraw/zinc/46/62/86/1068466286.db2.gz PQSMMUWKWZKOCK-LLVKDONJSA-N 0 1 452.676 4.885 20 0 JJADMN COc1ccc([C@H](CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)N2CCCCC2)cc1 ZINC001463657511 1068484376 /nfs/dbraw/zinc/48/43/76/1068484376.db2.gz FBCQZPGESNNNTO-QHCPKHFHSA-N 0 1 453.583 4.844 20 0 JJADMN COc1ccc(NC(=O)CC2(CSC)CC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001463700144 1068498613 /nfs/dbraw/zinc/49/86/13/1068498613.db2.gz PSQZZZXIYONKIT-UHFFFAOYSA-N 0 1 455.001 4.621 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)ccc2OC)cc1 ZINC001463699576 1068498643 /nfs/dbraw/zinc/49/86/43/1068498643.db2.gz MRGHCLSNGHSBFV-NNZMDNLPSA-N 0 1 458.580 4.660 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C)c3)ccc2OC)cc1 ZINC001463699586 1068498719 /nfs/dbraw/zinc/49/87/19/1068498719.db2.gz NBVPEKPFNCEJNT-XZOQPEGZSA-N 0 1 480.586 4.945 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](C)c3cccc(C)c3)ccc2OC)cc1 ZINC001463700792 1068499013 /nfs/dbraw/zinc/49/90/13/1068499013.db2.gz VGWCGAVEXAHMQU-KRWDZBQOSA-N 0 1 454.548 4.555 20 0 JJADMN Cc1ccccc1C(C)(C)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463764577 1068517113 /nfs/dbraw/zinc/51/71/13/1068517113.db2.gz QLDWCOGXOMFXKO-AZGAKELHSA-N 0 1 466.622 4.957 20 0 JJADMN COc1cccc([C@H](CNC(=O)CSc2cc(C)c(Br)cc2C)N(C)C)c1 ZINC001463770537 1068519395 /nfs/dbraw/zinc/51/93/95/1068519395.db2.gz QMIDZVXVBNBOOK-IBGZPJMESA-N 0 1 451.430 4.586 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC001463795161 1068526847 /nfs/dbraw/zinc/52/68/47/1068526847.db2.gz JGWZNQCEDIHLRA-FQEVSTJZSA-N 0 1 452.039 4.750 20 0 JJADMN CC(C)(C)OC(=O)N(CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001463795156 1068526921 /nfs/dbraw/zinc/52/69/21/1068526921.db2.gz JGOJTSQJCNPVNC-UHFFFAOYSA-N 0 1 458.002 4.862 20 0 JJADMN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001463826661 1068538891 /nfs/dbraw/zinc/53/88/91/1068538891.db2.gz VCRUKXQQZADSQH-FQEVSTJZSA-N 0 1 459.377 4.929 20 0 JJADMN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001463839839 1068543673 /nfs/dbraw/zinc/54/36/73/1068543673.db2.gz ZDIMRSGADMPBQX-DZFGPLHGSA-N 0 1 452.039 4.923 20 0 JJADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001463842656 1068544877 /nfs/dbraw/zinc/54/48/77/1068544877.db2.gz YSBXVQFWVQNDLV-PCCBWWKXSA-N 0 1 451.577 4.940 20 0 JJADMN CCc1ccc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1CC ZINC001463844366 1068545522 /nfs/dbraw/zinc/54/55/22/1068545522.db2.gz GEJBEHLBHYZBMH-RRPNLBNLSA-N 0 1 466.622 4.897 20 0 JJADMN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1 ZINC001463846205 1068546546 /nfs/dbraw/zinc/54/65/46/1068546546.db2.gz MWHCHULSBLWXRP-LOSJGSFVSA-N 0 1 452.595 4.697 20 0 JJADMN O=S(=O)(CCc1cccc(Cl)c1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848857 1068547115 /nfs/dbraw/zinc/54/71/15/1068547115.db2.gz WCGJHIZIZXVXAK-LOSJGSFVSA-N 0 1 473.013 4.609 20 0 JJADMN Cc1cccc(N2CCN(CCCNC(=O)COc3ccc(Cl)c4ccccc34)CC2)c1 ZINC001463876888 1068554045 /nfs/dbraw/zinc/55/40/45/1068554045.db2.gz LPVYENPRHAKFJE-UHFFFAOYSA-N 0 1 451.998 4.509 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC001463885521 1068555639 /nfs/dbraw/zinc/55/56/39/1068555639.db2.gz JDWUMUZLSBMCLQ-DEOSSOPVSA-N 0 1 450.560 4.686 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)[nH]n2)c1C ZINC001463886973 1068556237 /nfs/dbraw/zinc/55/62/37/1068556237.db2.gz NGTUQZYIWUYVCC-CQSZACIVSA-N 0 1 456.978 4.603 20 0 JJADMN CC[C@H](C)c1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C(C)C)cc1 ZINC001463963168 1068576363 /nfs/dbraw/zinc/57/63/63/1068576363.db2.gz RESJUJKIZMSIHB-UUOWRZLLSA-N 0 1 458.624 4.817 20 0 JJADMN COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1O ZINC001463966046 1068577076 /nfs/dbraw/zinc/57/70/76/1068577076.db2.gz OGLJZJAEVSZCEX-JOCHJYFZSA-N 0 1 455.436 4.744 20 0 JJADMN CN(C)Cc1ccsc1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001464042184 1068597620 /nfs/dbraw/zinc/59/76/20/1068597620.db2.gz MOHOVZZYXOQDLX-UHFFFAOYSA-N 0 1 459.011 4.677 20 0 JJADMN CC(C)(Cc1ccc(O)cc1)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC001464072085 1068604975 /nfs/dbraw/zinc/60/49/75/1068604975.db2.gz HGKTVVVJLQDZCG-UHFFFAOYSA-N 0 1 457.618 4.917 20 0 JJADMN Cc1cccc(CN(Cc2ccco2)C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001464073061 1068605598 /nfs/dbraw/zinc/60/55/98/1068605598.db2.gz KRPCRWGDLIHZGB-UHFFFAOYSA-N 0 1 451.998 4.983 20 0 JJADMN CC[C@@H](CNC(=O)CCCC(=O)c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC001464096921 1068614042 /nfs/dbraw/zinc/61/40/42/1068614042.db2.gz FATYQNBJMKMSEI-QFIPXVFZSA-N 0 1 457.412 4.755 20 0 JJADMN CC[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)N1CCc2ccccc2C1 ZINC001464101826 1068616152 /nfs/dbraw/zinc/61/61/52/1068616152.db2.gz SDSFTTXHABODTE-NRFANRHFSA-N 0 1 456.512 4.766 20 0 JJADMN Cc1sc(Br)c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC001464117959 1068621128 /nfs/dbraw/zinc/62/11/28/1068621128.db2.gz BLPFFIAAMVNHDW-KBPBESRZSA-N 0 1 451.430 4.667 20 0 JJADMN Cc1sc(Br)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001464117963 1068621195 /nfs/dbraw/zinc/62/11/95/1068621195.db2.gz BLPFFIAAMVNHDW-OKILXGFUSA-N 0 1 451.430 4.667 20 0 JJADMN COc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC1CCCC1 ZINC001464120271 1068621822 /nfs/dbraw/zinc/62/18/22/1068621822.db2.gz JVUNKDQJPVVNEM-PMACEKPBSA-N 0 1 452.595 4.556 20 0 JJADMN CCc1sc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001464122066 1068622400 /nfs/dbraw/zinc/62/24/00/1068622400.db2.gz OQFKTIOHVVSPHP-GASCZTMLSA-N 0 1 451.430 4.612 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC001464124011 1068623612 /nfs/dbraw/zinc/62/36/12/1068623612.db2.gz UZIHZAVFKGTLPH-HUUCEWRRSA-N 0 1 456.892 4.778 20 0 JJADMN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cn[nH]c1-c1cccc(Cl)c1 ZINC001464178013 1068644322 /nfs/dbraw/zinc/64/43/22/1068644322.db2.gz BEAUETWMFVBSLR-UHFFFAOYSA-N 0 1 452.923 4.783 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCOc2ccc(C(C)C)cc2)cc1 ZINC001464190647 1068649699 /nfs/dbraw/zinc/64/96/99/1068649699.db2.gz CCFQCYWDHMEURN-UHFFFAOYSA-N 0 1 458.605 4.790 20 0 JJADMN CCCOc1ccc([C@H](C)NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)cc1OC ZINC001464207933 1068658069 /nfs/dbraw/zinc/65/80/69/1068658069.db2.gz BFKDSQWGMVTUBF-ZDUSSCGKSA-N 0 1 459.340 4.579 20 0 JJADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001464227611 1068665855 /nfs/dbraw/zinc/66/58/55/1068665855.db2.gz PJNZPLISTFXGLQ-CHWSQXEVSA-N 0 1 452.479 4.708 20 0 JJADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1oc(C2CC2)nc1C(F)F ZINC001464232852 1068667708 /nfs/dbraw/zinc/66/77/08/1068667708.db2.gz ZBGLTAFZZYLPFG-UHFFFAOYSA-N 0 1 457.455 4.743 20 0 JJADMN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccc(I)c3O)sc2C1 ZINC001546145356 1068669134 /nfs/dbraw/zinc/66/91/34/1068669134.db2.gz JAQFGCBWZQNFKL-JTQLQIEISA-N 0 1 456.349 4.857 20 0 JJADMN CC(C)(C(=O)NC1CCN(Cc2ccncc2)CC1)c1csc(-c2cc(F)ccc2F)n1 ZINC001464312223 1068701121 /nfs/dbraw/zinc/70/11/21/1068701121.db2.gz RQQUGWFVOLNWRY-UHFFFAOYSA-N 0 1 456.562 4.542 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)N1CCCCC1 ZINC001464337777 1068711074 /nfs/dbraw/zinc/71/10/74/1068711074.db2.gz SDYAYCRGMHCLGO-IBGZPJMESA-N 0 1 453.564 4.559 20 0 JJADMN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC001464492037 1068765171 /nfs/dbraw/zinc/76/51/71/1068765171.db2.gz KWQJBUQOEJNIKL-AWEZNQCLSA-N 0 1 450.901 4.703 20 0 JJADMN O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cc(Cl)c2ccccc2c1O ZINC001464538523 1068776193 /nfs/dbraw/zinc/77/61/93/1068776193.db2.gz CTVKLISSRJAKHQ-UHFFFAOYSA-N 0 1 457.715 4.853 20 0 JJADMN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001464600327 1068795853 /nfs/dbraw/zinc/79/58/53/1068795853.db2.gz CMRMDNOQZIJMMX-GJZUVCINSA-N 0 1 450.623 4.546 20 0 JJADMN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001464600328 1068795942 /nfs/dbraw/zinc/79/59/42/1068795942.db2.gz CMRMDNOQZIJMMX-NVQXNPDNSA-N 0 1 450.623 4.546 20 0 JJADMN CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)cc1OC ZINC001464641360 1068808740 /nfs/dbraw/zinc/80/87/40/1068808740.db2.gz OUOIBAXAKZIIHK-UHFFFAOYSA-N 0 1 458.511 4.595 20 0 JJADMN C[C@@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC001464707887 1068832933 /nfs/dbraw/zinc/83/29/33/1068832933.db2.gz XSCYIQNIOMADPS-NRFANRHFSA-N 0 1 457.659 4.673 20 0 JJADMN CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638327 719261077 /nfs/dbraw/zinc/26/10/77/719261077.db2.gz OLBBQUMAHMNDNX-VYCLJVNGSA-N 0 1 469.633 4.910 20 0 JJADMN c1sc([C@@H]2C[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@@H]3O2)nc1C1CC1 ZINC001164645069 719288203 /nfs/dbraw/zinc/28/82/03/719288203.db2.gz 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20 0 JJADMN C[C@@H](Cn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001360586233 1065586565 /nfs/dbraw/zinc/58/65/65/1065586565.db2.gz CTVUDBSUIRNBTP-QFIPXVFZSA-N 0 1 453.675 4.708 20 0 JJADMN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437733304 1065596938 /nfs/dbraw/zinc/59/69/38/1065596938.db2.gz ZOBDRJBAWOYLQT-PKTZIBPZSA-N 0 1 459.675 4.931 20 0 JJADMN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437733301 1065597292 /nfs/dbraw/zinc/59/72/92/1065597292.db2.gz ZOBDRJBAWOYLQT-GOTSBHOMSA-N 0 1 459.675 4.931 20 0 JJADMN C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCCCC1)CN1CCOCC1 ZINC001360602490 1065626879 /nfs/dbraw/zinc/62/68/79/1065626879.db2.gz AZZVOHKDKONJAY-GOSISDBHSA-N 0 1 464.029 4.722 20 0 JJADMN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)CN1CCOCC1 ZINC001360602754 1065626909 /nfs/dbraw/zinc/62/69/09/1065626909.db2.gz CVGKCPHNWHEZAJ-IBGZPJMESA-N 0 1 487.023 4.516 20 0 JJADMN 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BPFGUWNNUHPMSZ-CRAIPNDOSA-N 0 1 472.018 4.913 20 0 JJADMN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCSC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001360762480 1065839308 /nfs/dbraw/zinc/83/93/08/1065839308.db2.gz GHSWEXPXUAKMHP-QRFRQXIXSA-N 0 1 475.659 4.863 20 0 JJADMN C[C@H](Oc1ccccc1F)c1nnc(N2CCSC[C@H]2C)n1C[C@H](c1ccsc1)N(C)C ZINC001360777940 1065883421 /nfs/dbraw/zinc/88/34/21/1065883421.db2.gz IDFXXEICXLARSY-FUHIMQAGSA-N 0 1 475.659 4.863 20 0 JJADMN CC(C)(C)c1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2CCCCN2CCOCC2)cc1 ZINC001360808838 1065922808 /nfs/dbraw/zinc/92/28/08/1065922808.db2.gz WHQCNJMBJYHJDI-UHFFFAOYSA-N 0 1 483.701 4.893 20 0 JJADMN CC(C)(C)c1ccc(OCc2nnc(N3CCC(C)(C)CC3)n2CCN2CCSCC2)cc1 ZINC001360817219 1065929971 /nfs/dbraw/zinc/92/99/71/1065929971.db2.gz IZGRAAYXBHENIU-UHFFFAOYSA-N 0 1 471.715 4.830 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(C)C)cc2)cc1 ZINC001440365218 1065932382 /nfs/dbraw/zinc/93/23/82/1065932382.db2.gz ABYCVUPNGRHXOE-UHFFFAOYSA-N 0 1 452.576 4.592 20 0 JJADMN CCc1c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC001440377145 1065934130 /nfs/dbraw/zinc/93/41/30/1065934130.db2.gz YEZDAUFKRIRVGV-QHCPKHFHSA-N 0 1 452.986 4.664 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2cc3c([nH]2)c(Br)ccc3C)N2CCCC2)cc1 ZINC001440376385 1065934157 /nfs/dbraw/zinc/93/41/57/1065934157.db2.gz RCFIEXOUGDHPHJ-OAQYLSRUSA-N 0 1 456.384 4.814 20 0 JJADMN COc1cccc([C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)N2CCCC2)c1 ZINC001440383276 1065935484 /nfs/dbraw/zinc/93/54/84/1065935484.db2.gz ZFKBRAZHCAFVPM-OAQYLSRUSA-N 0 1 450.476 4.838 20 0 JJADMN COc1ccc(NC(=O)c2ccc(C(C)C)cn2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440595095 1065952941 /nfs/dbraw/zinc/95/29/41/1065952941.db2.gz KFYKNDSQGIZNKX-UHFFFAOYSA-N 0 1 459.955 4.920 20 0 JJADMN Cc1c(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)n[nH]c1C(F)(F)F ZINC001440681864 1065965484 /nfs/dbraw/zinc/96/54/84/1065965484.db2.gz OPLHOLUZWANTGK-UHFFFAOYSA-N 0 1 452.477 4.563 20 0 JJADMN COc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1OCc1ccccc1Cl ZINC001440702924 1065967830 /nfs/dbraw/zinc/96/78/30/1065967830.db2.gz FQJFKEBWLKGBQQ-QFIPXVFZSA-N 0 1 450.966 4.932 20 0 JJADMN C[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC001440714193 1065970547 /nfs/dbraw/zinc/97/05/47/1065970547.db2.gz OFLDZAWLYNGQCE-YADARESESA-N 0 1 451.014 4.622 20 0 JJADMN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCCN(Cc2ccccc2)CC1 ZINC001440727820 1065971280 /nfs/dbraw/zinc/97/12/80/1065971280.db2.gz OCTDEGFNUMPECV-UHFFFAOYSA-N 0 1 457.361 4.924 20 0 JJADMN CSc1c(F)cccc1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440745729 1065975461 /nfs/dbraw/zinc/97/54/61/1065975461.db2.gz HQTZIYUVLPUDRW-UHFFFAOYSA-N 0 1 455.521 4.509 20 0 JJADMN O=C(CCc1cccc(Cl)c1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440747826 1065975667 /nfs/dbraw/zinc/97/56/67/1065975667.db2.gz QKKPLSBNHHIQFI-UHFFFAOYSA-N 0 1 453.936 4.620 20 0 JJADMN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCN2CCc3sccc3C2)c1C ZINC001360865314 1065984300 /nfs/dbraw/zinc/98/43/00/1065984300.db2.gz YNONAAUJDKZZFU-UHFFFAOYSA-N 0 1 494.709 4.678 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@H](c2ccco2)N(C)C)c1C ZINC001360865444 1065984615 /nfs/dbraw/zinc/98/46/15/1065984615.db2.gz BLSJRQLCWJCWJP-QZTJIDSGSA-N 0 1 465.520 4.929 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2C[C@@H](c2ccco2)N(C)C)c1C ZINC001360865445 1065984661 /nfs/dbraw/zinc/98/46/61/1065984661.db2.gz BLSJRQLCWJCWJP-ROUUACIJSA-N 0 1 465.520 4.929 20 0 JJADMN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC001440870183 1065986315 /nfs/dbraw/zinc/98/63/15/1065986315.db2.gz FVHPCYOGWCKURH-SDNWHVSQSA-N 0 1 459.590 4.780 20 0 JJADMN Cc1occc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCSCC1 ZINC001360865973 1065986664 /nfs/dbraw/zinc/98/66/64/1065986664.db2.gz KSJDZMIIKREGKJ-OAQYLSRUSA-N 0 1 469.655 4.622 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360866151 1065987325 /nfs/dbraw/zinc/98/73/25/1065987325.db2.gz NJSCTSYHOPZNSW-QWFCFKBJSA-N 0 1 497.606 4.921 20 0 JJADMN CCN(CC)[C@H](CNC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1)c1ccccc1Cl ZINC001440874142 1065987743 /nfs/dbraw/zinc/98/77/43/1065987743.db2.gz GTKNHGIMSXVZNV-WOJBJXKFSA-N 0 1 452.357 4.825 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](c2ccco2)N(C)C)c1C ZINC001360873632 1066010303 /nfs/dbraw/zinc/01/03/03/1066010303.db2.gz HFPSBEFZABQQGS-KSEOMHKRSA-N 0 1 467.614 4.546 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C)[C@H](C)C3)n2CCN2CCSCC2)c1C ZINC001360874131 1066011966 /nfs/dbraw/zinc/01/19/66/1066011966.db2.gz MTTIOKJNZBMHGX-SYYKKAFVSA-N 0 1 457.688 4.566 20 0 JJADMN Cc1ccccc1CN1CCCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC001441189556 1066013446 /nfs/dbraw/zinc/01/34/46/1066013446.db2.gz SRPXXECIVIJMCW-UHFFFAOYSA-N 0 1 457.018 4.917 20 0 JJADMN CCc1ccccc1O[C@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001441213211 1066015811 /nfs/dbraw/zinc/01/58/11/1066015811.db2.gz XRISSQRHJIAICE-NDEPHWFRSA-N 0 1 457.618 4.698 20 0 JJADMN CC[C@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)N1CCc2ccccc2C1 ZINC001441247076 1066020136 /nfs/dbraw/zinc/02/01/36/1066020136.db2.gz YOENYGYYNWDQHX-HXUWFJFHSA-N 0 1 454.368 4.671 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)c1C ZINC001360878061 1066024816 /nfs/dbraw/zinc/02/48/16/1066024816.db2.gz QVJBKBYNKKFUQU-CUYJMHBOSA-N 0 1 469.674 4.626 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CCC(C)C)c1C ZINC001360878093 1066025031 /nfs/dbraw/zinc/02/50/31/1066025031.db2.gz RQVSLKLHXSWAHO-BJKOFHAPSA-N 0 1 469.674 4.630 20 0 JJADMN CCCOc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC(C)C)c1 ZINC001441329242 1066029301 /nfs/dbraw/zinc/02/93/01/1066029301.db2.gz WLZNONUYHZEEOV-OYRHEFFESA-N 0 1 454.611 4.802 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCN2CCSCC2)c1C ZINC001360881208 1066034088 /nfs/dbraw/zinc/03/40/88/1066034088.db2.gz HUBCQOMEMVMIJU-YZGWKJHDSA-N 0 1 497.631 4.718 20 0 JJADMN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001441548076 1066050231 /nfs/dbraw/zinc/05/02/31/1066050231.db2.gz LJTXXWMZGBIAOK-LBPRGKRZSA-N 0 1 454.932 4.747 20 0 JJADMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc12 ZINC001441812284 1066071931 /nfs/dbraw/zinc/07/19/31/1066071931.db2.gz JBHOTEDODDMGEW-NRFANRHFSA-N 0 1 454.546 4.765 20 0 JJADMN Cc1ccsc1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(C)C)CC1 ZINC001360919800 1066075135 /nfs/dbraw/zinc/07/51/35/1066075135.db2.gz BMKQOSJVVSQUKQ-UHFFFAOYSA-N 0 1 492.462 4.990 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)N1CCCCC1 ZINC001441881789 1066077158 /nfs/dbraw/zinc/07/71/58/1066077158.db2.gz HLLZOGDGLFDBRE-JOCHJYFZSA-N 0 1 453.583 4.844 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)Cc1cccc(OCC(F)(F)F)c1)N1CCCCC1 ZINC001441890754 1066079118 /nfs/dbraw/zinc/07/91/18/1066079118.db2.gz WDHVUNJFHJXHRE-OAQYLSRUSA-N 0 1 450.501 4.522 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1ccc(Nc2nccs2)cc1F)N1CCCCC1 ZINC001441891995 1066079268 /nfs/dbraw/zinc/07/92/68/1066079268.db2.gz WRDARHNFNAVIBH-NRFANRHFSA-N 0 1 454.571 4.991 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928948 1066084768 /nfs/dbraw/zinc/08/47/68/1066084768.db2.gz SEFXXTLIISDWQW-DNQXCXABSA-N 0 1 451.611 4.938 20 0 JJADMN O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cccc(I)c1O ZINC001442236453 1066106501 /nfs/dbraw/zinc/10/65/01/1066106501.db2.gz KQEQUEMGLMVPEY-UHFFFAOYSA-N 0 1 455.723 4.892 20 0 JJADMN COc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1-c1ccccn1 ZINC001442375302 1066121456 /nfs/dbraw/zinc/12/14/56/1066121456.db2.gz LJZMKOCIWBPQBV-UHFFFAOYSA-N 0 1 459.527 4.810 20 0 JJADMN CCCN(C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)[C@@H](C)c1ccccc1OC ZINC001442399041 1066124137 /nfs/dbraw/zinc/12/41/37/1066124137.db2.gz UZXCRDZLXDLCJG-ZWKOTPCHSA-N 0 1 456.587 4.756 20 0 JJADMN CC[C@H](C)n1nc(C)c(-c2cc(C(=O)Nc3cc(C(=O)OC)ccc3OC(C)C)[nH]n2)c1C ZINC001442466782 1066128434 /nfs/dbraw/zinc/12/84/34/1066128434.db2.gz CFVAZHIHCYTIPO-AWEZNQCLSA-N 0 1 453.543 4.687 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC001360983614 1066143873 /nfs/dbraw/zinc/14/38/73/1066143873.db2.gz TUMOEDSKKLPRDT-HNNXBMFYSA-N 0 1 452.382 4.550 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC001360983616 1066143918 /nfs/dbraw/zinc/14/39/18/1066143918.db2.gz TUMOEDSKKLPRDT-OAHLLOKOSA-N 0 1 452.382 4.550 20 0 JJADMN CC(C)(C)c1nc2ccc(NC(=O)c3ccnc(Cl)c3I)cc2[nH]1 ZINC001442606256 1066143971 /nfs/dbraw/zinc/14/39/71/1066143971.db2.gz DUUGZTFEPVBUNB-UHFFFAOYSA-N 0 1 454.699 4.766 20 0 JJADMN O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(I)c([O-])c1 ZINC001442610938 1066144887 /nfs/dbraw/zinc/14/48/87/1066144887.db2.gz CVXSJEBVQLTTGW-UHFFFAOYSA-N 0 1 450.320 4.625 20 0 JJADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442718682 1066155346 /nfs/dbraw/zinc/15/53/46/1066155346.db2.gz PBENSJRVEPNOEQ-FQEVSTJZSA-N 0 1 456.999 4.926 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)C1 ZINC001442727707 1066156122 /nfs/dbraw/zinc/15/61/22/1066156122.db2.gz XWSILWTWOUCDAK-IQGLISFBSA-N 0 1 453.587 4.745 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCCN1CCOCC1 ZINC001360991927 1066170793 /nfs/dbraw/zinc/17/07/93/1066170793.db2.gz GZEQHILQGVORRJ-SJBKTWHCSA-N 0 1 494.055 4.595 20 0 JJADMN C[N@@H+](CCN(Cc1ccccc1)C(=O)CN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1 ZINC001361013187 1066198151 /nfs/dbraw/zinc/19/81/51/1066198151.db2.gz DENSGDVRTHAKJL-UHFFFAOYSA-N 0 1 451.611 4.547 20 0 JJADMN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](c2ccsc2)N(C)C)c(C)c1 ZINC001361014917 1066202265 /nfs/dbraw/zinc/20/22/65/1066202265.db2.gz WZJVXSQCQADRHJ-QFIPXVFZSA-N 0 1 480.682 4.910 20 0 JJADMN CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cc1OC ZINC001442771372 1066221249 /nfs/dbraw/zinc/22/12/49/1066221249.db2.gz VNBACTHGGWGZIB-UHFFFAOYSA-N 0 1 458.511 4.595 20 0 JJADMN CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C1CCCCC1 ZINC001442780053 1066221827 /nfs/dbraw/zinc/22/18/27/1066221827.db2.gz FQVUDOVYIFLIDQ-HXUWFJFHSA-N 0 1 450.988 4.935 20 0 JJADMN COc1cccc(-c2cc(C(=O)Nc3cc(C)nn3-c3cccc(Br)c3)[nH]n2)c1 ZINC001442824368 1066227603 /nfs/dbraw/zinc/22/76/03/1066227603.db2.gz GBCRISYMJUSZGS-UHFFFAOYSA-N 0 1 452.312 4.594 20 0 JJADMN O=C(CCc1cc(Br)ccc1F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC001442881646 1066236889 /nfs/dbraw/zinc/23/68/89/1066236889.db2.gz SXNMKLBALPDRAJ-UHFFFAOYSA-N 0 1 457.347 4.712 20 0 JJADMN CC(C)(C)OC(=O)C1(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C(C)(C)C1(C)C ZINC001442884103 1066237298 /nfs/dbraw/zinc/23/72/98/1066237298.db2.gz YQXXRYRTUREISJ-UHFFFAOYSA-N 0 1 452.599 4.572 20 0 JJADMN Cc1nc(CNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)nc2ccccc12 ZINC001442969203 1066247827 /nfs/dbraw/zinc/24/78/27/1066247827.db2.gz SJESIRQNVDXZQU-UHFFFAOYSA-N 0 1 452.923 4.541 20 0 JJADMN Cc1cc(I)cc(C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C ZINC001454222406 1066256252 /nfs/dbraw/zinc/25/62/52/1066256252.db2.gz RYABGCDQZVZYGX-LLVKDONJSA-N 0 1 453.711 4.929 20 0 JJADMN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC001454256502 1066258260 /nfs/dbraw/zinc/25/82/60/1066258260.db2.gz UZJCKJFCHWFFEQ-QGZVFWFLSA-N 0 1 457.321 4.804 20 0 JJADMN CCCc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC001454406831 1066279233 /nfs/dbraw/zinc/27/92/33/1066279233.db2.gz POSJULCROYNULV-PGRDOPGGSA-N 0 1 452.002 4.514 20 0 JJADMN CCc1c(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[nH]nc1-c1ccncc1 ZINC001443246999 1066283529 /nfs/dbraw/zinc/28/35/29/1066283529.db2.gz NZDQZVHACIDUBH-UHFFFAOYSA-N 0 1 452.584 4.799 20 0 JJADMN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC001443265407 1066287210 /nfs/dbraw/zinc/28/72/10/1066287210.db2.gz PRZVREYXRKAFLB-UHFFFAOYSA-N 0 1 458.952 4.845 20 0 JJADMN CCC1(N2CCOCC2)CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001454478923 1066290027 /nfs/dbraw/zinc/29/00/27/1066290027.db2.gz 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TXUGSAATYXVUJE-UHFFFAOYSA-N 0 1 455.287 4.624 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361178744 1066499594 /nfs/dbraw/zinc/49/95/94/1066499594.db2.gz RFCBGZXEBWEDHD-OALUTQOASA-N 0 1 458.006 4.636 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546079357 1066508413 /nfs/dbraw/zinc/50/84/13/1066508413.db2.gz KMQKHMZDGMUPBD-YZIHRLCOSA-N 0 1 487.714 4.705 20 0 JJADMN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001444890926 1066516328 /nfs/dbraw/zinc/51/63/28/1066516328.db2.gz FCFHEFPTQLJSLV-OAQYLSRUSA-N 0 1 452.576 4.589 20 0 JJADMN COc1ccnc(N2CCN(C(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)CC2)c1 ZINC001456139035 1066519194 /nfs/dbraw/zinc/51/91/94/1066519194.db2.gz CTAYMUUTCRPSSA-HSZRJFAPSA-N 0 1 455.530 4.551 20 0 JJADMN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001361201877 1066531917 /nfs/dbraw/zinc/53/19/17/1066531917.db2.gz JGTLGERFRRNDQE-FFGOWVMKSA-N 0 1 490.490 4.750 20 0 JJADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccsc1NC(=O)c1ccccc1Cl ZINC001445059558 1066535217 /nfs/dbraw/zinc/53/52/17/1066535217.db2.gz ZEAYSEABQMMLTQ-UHFFFAOYSA-N 0 1 454.939 4.826 20 0 JJADMN CN(C)[C@H](CNC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccc(Cl)cc1 ZINC001445097531 1066539615 /nfs/dbraw/zinc/53/96/15/1066539615.db2.gz YGAWXWXXTSIVEC-JOCHJYFZSA-N 0 1 458.002 4.546 20 0 JJADMN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ccc3nc(CC4CCCCC4)[nH]c3c2)C1 ZINC001445230549 1066548003 /nfs/dbraw/zinc/54/80/03/1066548003.db2.gz DGQLDTNFEJRUKX-IBGZPJMESA-N 0 1 456.587 4.650 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCCOCCC(C)C)cc1Br ZINC001361221086 1066559455 /nfs/dbraw/zinc/55/94/55/1066559455.db2.gz NELVFJUSNZEDCO-UHFFFAOYSA-N 0 1 492.506 4.999 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001361221355 1066560098 /nfs/dbraw/zinc/56/00/98/1066560098.db2.gz WORACSWVFFXTKW-OALUTQOASA-N 0 1 490.490 4.750 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCSC(C)(C)C2)ccc1Cl ZINC001456325181 1066562645 /nfs/dbraw/zinc/56/26/45/1066562645.db2.gz VSPMOZQKJMVAQT-MRXNPFEDSA-N 0 1 453.029 4.853 20 0 JJADMN Cc1cccc(C(NC(=O)c2cnc(I)c(O)c2)c2cccc(C)c2)c1 ZINC001445389165 1066566108 /nfs/dbraw/zinc/56/61/08/1066566108.db2.gz DWOBTCNMZVLCNZ-UHFFFAOYSA-N 0 1 458.299 4.528 20 0 JJADMN CC(C)(C)OC(=O)NCc1nc2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2[nH]1 ZINC001456376476 1066573666 /nfs/dbraw/zinc/57/36/66/1066573666.db2.gz SANOHENBXBDZTP-UHFFFAOYSA-N 0 1 450.417 4.564 20 0 JJADMN Cc1ccc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@@H](C)CN2CCOCC2)s1 ZINC001361251222 1066598420 /nfs/dbraw/zinc/59/84/20/1066598420.db2.gz JQRDIJOYBWWRTH-KRWDZBQOSA-N 0 1 460.047 4.573 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC001361252954 1066600512 /nfs/dbraw/zinc/60/05/12/1066600512.db2.gz MDPDQHAWBUSNBB-UHFFFAOYSA-N 0 1 450.970 4.805 20 0 JJADMN Cc1cc([C@@H]2CCCCN2C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)n[nH]1 ZINC001456500027 1066601545 /nfs/dbraw/zinc/60/15/45/1066601545.db2.gz XXYZYEGEZKJUOQ-KRWDZBQOSA-N 0 1 457.328 4.693 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512569 1066607662 /nfs/dbraw/zinc/60/76/62/1066607662.db2.gz XOQKWAQVDQHRTF-NZQKXSOJSA-N 0 1 456.428 4.507 20 0 JJADMN Cc1cccc(-n2ncc(C(=O)N3CCCN(Cc4ccccc4)C[C@@H]3C)c2C(F)(F)F)c1 ZINC001456544602 1066620581 /nfs/dbraw/zinc/62/05/81/1066620581.db2.gz CFZZPOZEOYNEGB-IBGZPJMESA-N 0 1 456.512 4.936 20 0 JJADMN Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)C)CC2)s1 ZINC001361268255 1066621411 /nfs/dbraw/zinc/62/14/11/1066621411.db2.gz RMIZDOHXWOYYQZ-NRFANRHFSA-N 0 1 453.656 4.984 20 0 JJADMN Cc1cccnc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(C)C)CC1 ZINC001492604777 1066661350 /nfs/dbraw/zinc/66/13/50/1066661350.db2.gz FILZNKBWNDGIEF-UHFFFAOYSA-N 0 1 462.642 4.652 20 0 JJADMN Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001446175917 1066668857 /nfs/dbraw/zinc/66/88/57/1066668857.db2.gz PSANRLBVSSLUFI-ZWKOTPCHSA-N 0 1 454.412 4.834 20 0 JJADMN CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](c2ccco2)N(C)C)C1 ZINC001492608577 1066669049 /nfs/dbraw/zinc/66/90/49/1066669049.db2.gz DMXNGJUVHLWSNC-LJQANCHMSA-N 0 1 474.378 4.899 20 0 JJADMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001446511291 1066712872 /nfs/dbraw/zinc/71/28/72/1066712872.db2.gz GAERGLVYEVNBPQ-KRWDZBQOSA-N 0 1 457.500 4.550 20 0 JJADMN Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC001492633468 1066715038 /nfs/dbraw/zinc/71/50/38/1066715038.db2.gz ZXCJXKNTJRDHNH-ROUUACIJSA-N 0 1 474.719 4.612 20 0 JJADMN Cc1csc([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)C)CC2)n1 ZINC001492637289 1066723060 /nfs/dbraw/zinc/72/30/60/1066723060.db2.gz OHQUJZARQSSKRM-INIZCTEOSA-N 0 1 476.597 4.646 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3sccc3c2)c1 ZINC001446709138 1066732852 /nfs/dbraw/zinc/73/28/52/1066732852.db2.gz JGXFKVDWOCQOOS-UHFFFAOYSA-N 0 1 454.529 4.669 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3c(cccc3C)o2)c1 ZINC001446713802 1066733572 /nfs/dbraw/zinc/73/35/72/1066733572.db2.gz QWWHONNMXGDYDY-UHFFFAOYSA-N 0 1 452.488 4.509 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1(c2ccccc2OC)CCCCC1 ZINC001457009755 1066741025 /nfs/dbraw/zinc/74/10/25/1066741025.db2.gz LBFNHKZBGWETPB-UHFFFAOYSA-N 0 1 451.611 4.686 20 0 JJADMN CCC[C@@H]1CN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccccc1 ZINC001446813934 1066744094 /nfs/dbraw/zinc/74/40/94/1066744094.db2.gz JQCMYLVUXBIQKH-BCWBWYQASA-N 0 1 455.643 4.703 20 0 JJADMN C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446908302 1066755931 /nfs/dbraw/zinc/75/59/31/1066755931.db2.gz IZJLRHFYHMDJTD-AWEZNQCLSA-N 0 1 452.967 4.942 20 0 JJADMN Cc1cscc1Cn1c(-c2ccccc2C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001492654725 1066764406 /nfs/dbraw/zinc/76/44/06/1066764406.db2.gz ZWRRPTJYAMNHAA-UHFFFAOYSA-N 0 1 493.599 4.763 20 0 JJADMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001545991705 1066766763 /nfs/dbraw/zinc/76/67/63/1066766763.db2.gz XJXASUSSLJPGFM-BXKMTCNYSA-N 0 1 452.002 4.806 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3ccsc3)n2C[C@H](c2ccsc2)N(C)C)cs1 ZINC001492667087 1066792831 /nfs/dbraw/zinc/79/28/31/1066792831.db2.gz SYGDCRCTGGNJGY-LJQANCHMSA-N 0 1 458.682 4.696 20 0 JJADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001457226089 1066794469 /nfs/dbraw/zinc/79/44/69/1066794469.db2.gz SJDPJIAVIHGVRU-UHFFFAOYSA-N 0 1 452.799 4.575 20 0 JJADMN CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC001457313473 1066808116 /nfs/dbraw/zinc/80/81/16/1066808116.db2.gz CVWYPWOVDNDBBA-SGTLLEGYSA-N 0 1 459.344 4.702 20 0 JJADMN C[C@H](Oc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445334 1066809883 /nfs/dbraw/zinc/80/98/83/1066809883.db2.gz HOTHRZGZDBZMJG-LHSJRXKWSA-N 0 1 451.889 4.652 20 0 JJADMN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)C1 ZINC001457318710 1066809986 /nfs/dbraw/zinc/80/99/86/1066809986.db2.gz RUGSCENXJSYOLP-OAHLLOKOSA-N 0 1 455.356 4.580 20 0 JJADMN C[C@@H]1CCCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469704 1066812804 /nfs/dbraw/zinc/81/28/04/1066812804.db2.gz APSPBCFTANJEGW-OFNKIYASSA-N 0 1 451.611 4.942 20 0 JJADMN C[C@H]1CCCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469706 1066812839 /nfs/dbraw/zinc/81/28/39/1066812839.db2.gz APSPBCFTANJEGW-REWPJTCUSA-N 0 1 451.611 4.942 20 0 JJADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC001447488030 1066814674 /nfs/dbraw/zinc/81/46/74/1066814674.db2.gz RVONNJPZEUSULU-QFIPXVFZSA-N 0 1 450.514 4.942 20 0 JJADMN CC[C@@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC001447498063 1066815330 /nfs/dbraw/zinc/81/53/30/1066815330.db2.gz LLLIIGJBOPSBPF-NRUKRLKBSA-N 0 1 453.671 4.755 20 0 JJADMN Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H](c2ccsc2)N(C)C)cs1 ZINC001492677175 1066815905 /nfs/dbraw/zinc/81/59/05/1066815905.db2.gz YDTROWLYXKTVEC-NQIIRXRSSA-N 0 1 458.701 4.871 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492686970 1066831911 /nfs/dbraw/zinc/83/19/11/1066831911.db2.gz PYVBZPTXAKVXCQ-MPGHIAIKSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2C[C@@H](C)C[C@H](C)C2)[nH]1 ZINC001492686970 1066831925 /nfs/dbraw/zinc/83/19/25/1066831925.db2.gz PYVBZPTXAKVXCQ-MPGHIAIKSA-N 0 1 472.037 4.840 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2cc(Cl)ccn2)n1 ZINC001492687391 1066832683 /nfs/dbraw/zinc/83/26/83/1066832683.db2.gz HGHTUJCRRASBEA-UHFFFAOYSA-N 0 1 477.787 4.606 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)Cc2cc(Cl)ccn2)[nH]1 ZINC001492687391 1066832690 /nfs/dbraw/zinc/83/26/90/1066832690.db2.gz HGHTUJCRRASBEA-UHFFFAOYSA-N 0 1 477.787 4.606 20 0 JJADMN Cc1n[nH]c(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccc(Cl)s2)n1 ZINC001492687433 1066833011 /nfs/dbraw/zinc/83/30/11/1066833011.db2.gz XMKVGCLQTSOUQA-CYBMUJFWSA-N 0 1 475.981 4.578 20 0 JJADMN Cc1nnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccc(Cl)s2)[nH]1 ZINC001492687433 1066833019 /nfs/dbraw/zinc/83/30/19/1066833019.db2.gz XMKVGCLQTSOUQA-CYBMUJFWSA-N 0 1 475.981 4.578 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(Cl)=C(Cl)C2)n1 ZINC001492687841 1066834350 /nfs/dbraw/zinc/83/43/50/1066834350.db2.gz RWBBEVAPQSHZBW-UHFFFAOYSA-N 0 1 473.195 4.820 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(Cl)=C(Cl)C2)[nH]1 ZINC001492687841 1066834362 /nfs/dbraw/zinc/83/43/62/1066834362.db2.gz RWBBEVAPQSHZBW-UHFFFAOYSA-N 0 1 473.195 4.820 20 0 JJADMN O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N(CCO)Cc1cc(Br)cs1 ZINC001447650562 1066835490 /nfs/dbraw/zinc/83/54/90/1066835490.db2.gz KLUKVULRAFLDRU-UHFFFAOYSA-N 0 1 456.365 4.689 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(C)(C)C)C2)n1 ZINC001492691574 1066836928 /nfs/dbraw/zinc/83/69/28/1066836928.db2.gz KREMFCWVAZWQRV-OAHLLOKOSA-N 0 1 478.428 4.706 20 0 JJADMN Cc1nnc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](C(C)(C)C)C2)[nH]1 ZINC001492691574 1066836932 /nfs/dbraw/zinc/83/69/32/1066836932.db2.gz KREMFCWVAZWQRV-OAHLLOKOSA-N 0 1 478.428 4.706 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C2CCC(C)CC2)n1 ZINC001492692170 1066837448 /nfs/dbraw/zinc/83/74/48/1066837448.db2.gz VDDYEKBEAOMGBN-UHFFFAOYSA-N 0 1 478.428 4.848 20 0 JJADMN Cc1nnc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C2CCC(C)CC2)[nH]1 ZINC001492692170 1066837458 /nfs/dbraw/zinc/83/74/58/1066837458.db2.gz VDDYEKBEAOMGBN-UHFFFAOYSA-N 0 1 478.428 4.848 20 0 JJADMN CCN(CCCNC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1)c1ccccc1 ZINC001457479761 1066840086 /nfs/dbraw/zinc/84/00/86/1066840086.db2.gz MXFWONOKCAAFDK-UHFFFAOYSA-N 0 1 454.574 4.668 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001457550462 1066859333 /nfs/dbraw/zinc/85/93/33/1066859333.db2.gz CINPVPPRKXSNEW-MPGHIAIKSA-N 0 1 459.978 4.879 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)C1 ZINC001457555518 1066860578 /nfs/dbraw/zinc/86/05/78/1066860578.db2.gz JNLXKVIXXQNXOA-UHFFFAOYSA-N 0 1 453.930 4.671 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(CO)c(C)cc2C)ccc1Cl ZINC001447805091 1066863040 /nfs/dbraw/zinc/86/30/40/1066863040.db2.gz CJVXFBMQCSALGD-UHFFFAOYSA-N 0 1 458.967 4.811 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001457585388 1066871517 /nfs/dbraw/zinc/87/15/17/1066871517.db2.gz RMFHIDFQVPJRNT-BMGDILEWSA-N 0 1 459.978 4.879 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001457585409 1066872051 /nfs/dbraw/zinc/87/20/51/1066872051.db2.gz RMFHIDFQVPJRNT-WBAXXEDZSA-N 0 1 459.978 4.879 20 0 JJADMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cccnc1I ZINC001457611503 1066878559 /nfs/dbraw/zinc/87/85/59/1066878559.db2.gz RIAUPKZDZXEQDV-UHFFFAOYSA-N 0 1 458.234 4.621 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)ccc2Cl)cc1 ZINC001457631688 1066886930 /nfs/dbraw/zinc/88/69/30/1066886930.db2.gz IFHQNILOKCARTE-STXHMFSFSA-N 0 1 450.988 4.704 20 0 JJADMN CC[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC001457650762 1066890218 /nfs/dbraw/zinc/89/02/18/1066890218.db2.gz NQQLJENIOWJDJJ-YJBOKZPZSA-N 0 1 450.988 4.848 20 0 JJADMN CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC001448047435 1066893527 /nfs/dbraw/zinc/89/35/27/1066893527.db2.gz JPHFMPCMHJTMNG-QHCPKHFHSA-N 0 1 457.482 4.522 20 0 JJADMN Cc1ccc(-c2n[nH]c(NC(=O)CC3(CNC(=O)OCc4ccccc4)CCCCC3)n2)o1 ZINC001457691527 1066898182 /nfs/dbraw/zinc/89/81/82/1066898182.db2.gz RXFKTQIAXIWRAO-UHFFFAOYSA-N 0 1 451.527 4.579 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2C[C@H](c2ccsc2)N(C)C)n1 ZINC001492732399 1066904831 /nfs/dbraw/zinc/90/48/31/1066904831.db2.gz OGRZDWQEBZEWHQ-WMZHIEFXSA-N 0 1 481.645 4.841 20 0 JJADMN CCN(CC(F)F)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC001457739984 1066908105 /nfs/dbraw/zinc/90/81/05/1066908105.db2.gz BJWBEPBIJQFCGV-UHFFFAOYSA-N 0 1 451.322 4.830 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC(C)(C)C3)ccc2Cl)cc1 ZINC001457753205 1066911973 /nfs/dbraw/zinc/91/19/73/1066911973.db2.gz YBUSYWRKBURAIF-UHFFFAOYSA-N 0 1 450.988 4.802 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](c2[nH]ncc2C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001448286566 1066916068 /nfs/dbraw/zinc/91/60/68/1066916068.db2.gz ZDDHGVBQRFKYGX-SFHVURJKSA-N 0 1 458.990 4.807 20 0 JJADMN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCCN3CCC[C@H]3C)cc12 ZINC001457775037 1066916941 /nfs/dbraw/zinc/91/69/41/1066916941.db2.gz UVMQJQBDAYMWQX-CYBMUJFWSA-N 0 1 451.423 4.975 20 0 JJADMN Cc1cc(C)c(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1I ZINC001457777669 1066917464 /nfs/dbraw/zinc/91/74/64/1066917464.db2.gz DSARWSBBUHHPPQ-UHFFFAOYSA-N 0 1 458.259 4.692 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C1(c2c(F)cccc2F)CCC1 ZINC001457786450 1066919781 /nfs/dbraw/zinc/91/97/81/1066919781.db2.gz GIGNGGKXXWXNQD-LJQANCHMSA-N 0 1 453.533 4.626 20 0 JJADMN COc1ccc(C(=O)CCC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c(OC)c1OC ZINC001457804675 1066924064 /nfs/dbraw/zinc/92/40/64/1066924064.db2.gz UPRFBODFYVAEIG-UHFFFAOYSA-N 0 1 459.502 4.857 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CC(C)(C)C(C)C)n1 ZINC001492753008 1066926347 /nfs/dbraw/zinc/92/63/47/1066926347.db2.gz IROQUHIOKHXFQC-HSZRJFAPSA-N 0 1 463.674 4.533 20 0 JJADMN Cc1[nH]c(SCC(=O)Nc2cc([C@H](O)c3ccccn3)ccc2C)nc1Cc1ccccc1 ZINC001457823368 1066928471 /nfs/dbraw/zinc/92/84/71/1066928471.db2.gz QOCPPAGBWHJGQG-VWLOTQADSA-N 0 1 458.587 4.825 20 0 JJADMN C[C@H](C(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1)N1CCc2ccccc2C1 ZINC001448461476 1066930341 /nfs/dbraw/zinc/93/03/41/1066930341.db2.gz WHNJCKPUKXCRQH-QGZVFWFLSA-N 0 1 450.476 4.819 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC(C(C)(C)C)C3)ccc2Cl)cc1 ZINC001457843368 1066931544 /nfs/dbraw/zinc/93/15/44/1066931544.db2.gz AKSJORFMSWGGOE-UHFFFAOYSA-N 0 1 450.988 4.704 20 0 JJADMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CS[C@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860283 1066932883 /nfs/dbraw/zinc/93/28/83/1066932883.db2.gz JNKWCMIFQGPCAQ-OCCSQVGLSA-N 0 1 459.420 4.726 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2(c3ccccc3C)CC2)ccc1C ZINC001457869973 1066933703 /nfs/dbraw/zinc/93/37/03/1066933703.db2.gz CBCKXMCEZSJWHJ-UHFFFAOYSA-N 0 1 450.560 4.532 20 0 JJADMN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001457909027 1066939720 /nfs/dbraw/zinc/93/97/20/1066939720.db2.gz MZRJWPGEBXHCHE-BBRMVZONSA-N 0 1 450.423 4.575 20 0 JJADMN O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001457932349 1066942775 /nfs/dbraw/zinc/94/27/75/1066942775.db2.gz FEJCMHKLVAPSGK-ZDUSSCGKSA-N 0 1 457.789 4.675 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c2ccccc21 ZINC001448619180 1066943277 /nfs/dbraw/zinc/94/32/77/1066943277.db2.gz JSJVQKDTDXDXQW-OAHLLOKOSA-N 0 1 451.502 4.868 20 0 JJADMN C[C@@H]1CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001458000123 1066955087 /nfs/dbraw/zinc/95/50/87/1066955087.db2.gz LSPHVGHUNCKRLL-DPLHUUCSSA-N 0 1 451.611 4.764 20 0 JJADMN C[C@@H]1CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC001458000123 1066955094 /nfs/dbraw/zinc/95/50/94/1066955094.db2.gz LSPHVGHUNCKRLL-DPLHUUCSSA-N 0 1 451.611 4.764 20 0 JJADMN C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccccc1 ZINC001458005129 1066956286 /nfs/dbraw/zinc/95/62/86/1066956286.db2.gz QDDIFQAICKIOKF-LUGTWXOSSA-N 0 1 457.659 4.972 20 0 JJADMN COc1nc(C)cc(N2CCN(Cc3ccc(-c4ccc(Br)cc4)s3)CC2)n1 ZINC001458092552 1066972292 /nfs/dbraw/zinc/97/22/92/1066972292.db2.gz ARPYHHGDVGICLA-UHFFFAOYSA-N 0 1 459.413 4.607 20 0 JJADMN CC(C)CCn1ncc(NC(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(C)C ZINC001449035168 1066978197 /nfs/dbraw/zinc/97/81/97/1066978197.db2.gz AIXHQBOGFLBVSO-QGZVFWFLSA-N 0 1 458.607 4.752 20 0 JJADMN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(c2ncc(C(F)(F)F)cc2I)C1 ZINC001458113166 1066979911 /nfs/dbraw/zinc/97/99/11/1066979911.db2.gz LLKRQKXUZFAEBF-SCRDCRAPSA-N 0 1 453.290 4.547 20 0 JJADMN Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)n2)cc1F ZINC001545725578 1066982404 /nfs/dbraw/zinc/98/24/04/1066982404.db2.gz YTBKYFSUPJLLHT-APWZRJJASA-N 0 1 458.484 4.519 20 0 JJADMN CC[C@H](c1nnc(N(C)C[C@H]2CCCO2)n1C[C@H](c1ccsc1)N(C)C)c1ccccc1 ZINC001545726486 1066983510 /nfs/dbraw/zinc/98/35/10/1066983510.db2.gz QUUXWBLSODFVOU-XPWALMASSA-N 0 1 453.656 4.800 20 0 JJADMN Cc1cccc(-c2cnc(NC(=O)c3cn[nH]c3[C@H]3CCN(C(=O)OC(C)(C)C)C3)s2)c1 ZINC001449133323 1066984563 /nfs/dbraw/zinc/98/45/63/1066984563.db2.gz DTCJIEYNAIJABF-INIZCTEOSA-N 0 1 453.568 4.818 20 0 JJADMN Cc1cccc(-c2cnc(NC(=O)c3cn[nH]c3[C@@H]3CCN(C(=O)OC(C)(C)C)C3)s2)c1 ZINC001449133326 1066984633 /nfs/dbraw/zinc/98/46/33/1066984633.db2.gz DTCJIEYNAIJABF-MRXNPFEDSA-N 0 1 453.568 4.818 20 0 JJADMN O=C(Cn1ncc2ccccc21)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC001449134222 1066985012 /nfs/dbraw/zinc/98/50/12/1066985012.db2.gz PURVLGQZTBDMNK-UHFFFAOYSA-N 0 1 455.301 4.940 20 0 JJADMN O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1)c1ccn(CC(F)F)n1 ZINC001449135166 1066985094 /nfs/dbraw/zinc/98/50/94/1066985094.db2.gz RUUZJHGJHTYNAB-UHFFFAOYSA-N 0 1 455.248 4.665 20 0 JJADMN CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CCCN(c4ccccc4Cl)CC3)n[nH]2)c1C ZINC001449168170 1066986995 /nfs/dbraw/zinc/98/69/95/1066986995.db2.gz DFDMYRIURISJDJ-MRXNPFEDSA-N 0 1 455.006 4.867 20 0 JJADMN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N(C)CCCN(C)Cc1ccco1)OCC3 ZINC001449232634 1066991786 /nfs/dbraw/zinc/99/17/86/1066991786.db2.gz ZISNHDLGOXVOFD-MHZLTWQESA-N 0 1 451.611 4.872 20 0 JJADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC001449307999 1066997381 /nfs/dbraw/zinc/99/73/81/1066997381.db2.gz JWBRUMZLFHCEHT-UHFFFAOYSA-N 0 1 454.058 4.818 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3cccc4cc(Br)cnc43)[nH]n2)cc1OC ZINC001449310702 1066998015 /nfs/dbraw/zinc/99/80/15/1066998015.db2.gz MWDFDZUFGFWPGQ-UHFFFAOYSA-N 0 1 453.296 4.657 20 0 JJADMN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC001449361584 1067004043 /nfs/dbraw/zinc/00/40/43/1067004043.db2.gz LDDYBDBLLQYBGK-FRSADPSXSA-N 0 1 456.533 4.542 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001458214172 1067004905 /nfs/dbraw/zinc/00/49/05/1067004905.db2.gz PCLUKTGOJONCOW-OLKYXYMISA-N 0 1 455.643 4.501 20 0 JJADMN CC[C@@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545741795 1067008590 /nfs/dbraw/zinc/00/85/90/1067008590.db2.gz WQKXAXMXDZDAMM-SVFBPWRDSA-N 0 1 461.601 4.553 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@@H](c1ccsc1)N(C)C)c1ccccc1 ZINC001545745462 1067012053 /nfs/dbraw/zinc/01/20/53/1067012053.db2.gz BKCBTSGYIDOITI-MZYLBHOOSA-N 0 1 481.666 4.574 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545745910 1067013393 /nfs/dbraw/zinc/01/33/93/1067013393.db2.gz ICTHKXLLYGLKKR-INNMJMHTSA-N 0 1 483.701 4.572 20 0 JJADMN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC001449570325 1067015166 /nfs/dbraw/zinc/01/51/66/1067015166.db2.gz ADBWZNAPLNEEDI-SFHVURJKSA-N 0 1 456.505 4.909 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545748742 1067018143 /nfs/dbraw/zinc/01/81/43/1067018143.db2.gz FEFHPVDPIVOWMR-UBFVSLLYSA-N 0 1 453.675 4.802 20 0 JJADMN CC[C@@H](c1nnc(N2CCCC[C@H](C)C2)n1C[C@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545751397 1067023995 /nfs/dbraw/zinc/02/39/95/1067023995.db2.gz FLTWHRSMSAXQNQ-ICDZXHCJSA-N 0 1 453.675 4.803 20 0 JJADMN CC[C@@H](C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)OC ZINC001449917189 1067037333 /nfs/dbraw/zinc/03/73/33/1067037333.db2.gz ONOYJVFRFUUAMZ-FZKQIMNGSA-N 0 1 459.395 4.585 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758682 1067039837 /nfs/dbraw/zinc/03/98/37/1067039837.db2.gz LKCIPWOZNJXIFV-RXVVDRJESA-N 0 1 472.559 4.813 20 0 JJADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001449979892 1067040192 /nfs/dbraw/zinc/04/01/92/1067040192.db2.gz NXWYUIANJRUMQL-QPNANDPSSA-N 0 1 459.937 4.602 20 0 JJADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 ZINC001449988028 1067040476 /nfs/dbraw/zinc/04/04/76/1067040476.db2.gz XTJIRSRTVMTPSF-OLZOCXBDSA-N 0 1 455.971 4.706 20 0 JJADMN CC(C)OCCCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001450001716 1067040960 /nfs/dbraw/zinc/04/09/60/1067040960.db2.gz RICTVSHFTXXHFJ-UHFFFAOYSA-N 0 1 459.395 4.681 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CCC1(COC)CCCC1)c1ccccc1 ZINC001545759253 1067041401 /nfs/dbraw/zinc/04/14/01/1067041401.db2.gz VDOUSNLLYCNTHG-VWNXMTODSA-N 0 1 453.675 4.947 20 0 JJADMN O=C(NC[C@H]1CCCCN1CCO)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021654 1067042145 /nfs/dbraw/zinc/04/21/45/1067042145.db2.gz OMVSJAILOYNOCK-NQIIRXRSSA-N 0 1 453.435 4.790 20 0 JJADMN O=C(NC[C@@H]1CCCCN1CCO)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001450021649 1067042187 /nfs/dbraw/zinc/04/21/87/1067042187.db2.gz OMVSJAILOYNOCK-GHTZIAJQSA-N 0 1 453.435 4.790 20 0 JJADMN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001546019108 1067044864 /nfs/dbraw/zinc/04/48/64/1067044864.db2.gz OLDSVRWKZSVYKY-NAMDQGSHSA-N 0 1 487.664 4.724 20 0 JJADMN CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)cc1)[C@H]1C[C@@H]1C ZINC001450075184 1067047488 /nfs/dbraw/zinc/04/74/88/1067047488.db2.gz GGGVRTUECAEXNX-ZSEKCTLFSA-N 0 1 458.440 4.989 20 0 JJADMN CC(=O)N(c1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)cc1)[C@@H]1C[C@H]1C ZINC001450075176 1067047671 /nfs/dbraw/zinc/04/76/71/1067047671.db2.gz GGGVRTUECAEXNX-LRTDBIEQSA-N 0 1 458.440 4.989 20 0 JJADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)c1 ZINC001450218116 1067060823 /nfs/dbraw/zinc/06/08/23/1067060823.db2.gz NPDKDLFIRYOPNN-UHFFFAOYSA-N 0 1 458.923 4.691 20 0 JJADMN COc1ccc(Br)cc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458447259 1067062978 /nfs/dbraw/zinc/06/29/78/1067062978.db2.gz KPYREPLZYHWMJK-ORAYPTAESA-N 0 1 455.755 4.673 20 0 JJADMN COc1ccc(CC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446458 1067063297 /nfs/dbraw/zinc/06/32/97/1067063297.db2.gz GUWXXHZJPBOOJQ-BTYIYWSLSA-N 0 1 455.357 4.501 20 0 JJADMN C[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245184 1067064049 /nfs/dbraw/zinc/06/40/49/1067064049.db2.gz HYIJKQMDKKZJEO-CYFREDJKSA-N 0 1 451.611 4.767 20 0 JJADMN CN1CC[C@H](CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458448997 1067064267 /nfs/dbraw/zinc/06/42/67/1067064267.db2.gz QVPFNPVUFCDQPL-QRWLVFNGSA-N 0 1 452.357 4.739 20 0 JJADMN COc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450456 1067065160 /nfs/dbraw/zinc/06/51/60/1067065160.db2.gz VERPCQZAIAKBPI-AUUYWEPGSA-N 0 1 455.755 4.673 20 0 JJADMN CN1CC[C@H](CNC(=O)c2ccccc2OCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458452009 1067066565 /nfs/dbraw/zinc/06/65/65/1067066565.db2.gz ZEOBQOQKNVQNFS-DVECYGJZSA-N 0 1 453.945 4.876 20 0 JJADMN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@H]1c1ccc(OC)cc1 ZINC001458470024 1067070459 /nfs/dbraw/zinc/07/04/59/1067070459.db2.gz LYIPGRCOHFQBGX-LAUBAEHRSA-N 0 1 456.493 4.838 20 0 JJADMN CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C)SC ZINC001545777679 1067071912 /nfs/dbraw/zinc/07/19/12/1067071912.db2.gz JTHXRYXXIPRLFY-OAQYLSRUSA-N 0 1 466.699 4.916 20 0 JJADMN CC(C)c1ccc2ncnc(N3CC[C@@H](c4ccc(F)cc4)[C@@H](NC(=O)C(F)(F)F)C3)c2c1 ZINC001458480245 1067072788 /nfs/dbraw/zinc/07/27/88/1067072788.db2.gz VAMYRWLVWPWFOG-RXVVDRJESA-N 0 1 460.475 4.933 20 0 JJADMN COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)cc(OC)c1C ZINC001450400124 1067076193 /nfs/dbraw/zinc/07/61/93/1067076193.db2.gz RCUHLJRZZZHEPL-UHFFFAOYSA-N 0 1 454.548 4.682 20 0 JJADMN CCC(O)(CC)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@H]2C1 ZINC001546022542 1067077751 /nfs/dbraw/zinc/07/77/51/1067077751.db2.gz HOUWMTBLQYDOCK-UNMCSNQZSA-N 0 1 490.092 4.914 20 0 JJADMN C[C@@H](F)CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC001450494574 1067085241 /nfs/dbraw/zinc/08/52/41/1067085241.db2.gz VPNIVRIVFNPUAZ-SNVBAGLBSA-N 0 1 453.750 4.926 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H]1C)N1CCOCC1 ZINC001545805306 1067118980 /nfs/dbraw/zinc/11/89/80/1067118980.db2.gz LEMCMNANOIYYLN-VWEIPLKFSA-N 0 1 487.664 4.929 20 0 JJADMN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2n[nH]c(C(C)(C)C)n2)cc1Cl ZINC001458729600 1067121628 /nfs/dbraw/zinc/12/16/28/1067121628.db2.gz MWPZASMSWIUGHB-UHFFFAOYSA-N 0 1 455.971 4.756 20 0 JJADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001450810001 1067125136 /nfs/dbraw/zinc/12/51/36/1067125136.db2.gz YTQNGRLJWCUYJB-LAUBAEHRSA-N 0 1 451.567 4.841 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(C)C)N1CCOCC1 ZINC001545807726 1067127573 /nfs/dbraw/zinc/12/75/73/1067127573.db2.gz NGCORJXALPCOSU-VWLOTQADSA-N 0 1 464.658 4.723 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1C)N1CCOCC1 ZINC001545807876 1067129687 /nfs/dbraw/zinc/12/96/87/1067129687.db2.gz PBWNKJGNVPHXCB-QFIPXVFZSA-N 0 1 487.048 4.668 20 0 JJADMN O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001545809150 1067135087 /nfs/dbraw/zinc/13/50/87/1067135087.db2.gz WHMCEOLPAAKWJM-DZGCQCFKSA-N 0 1 453.848 4.806 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)=C(C)C1)N1CCOCC1 ZINC001545808478 1067135168 /nfs/dbraw/zinc/13/51/68/1067135168.db2.gz ZSUOFLYKBHDNIH-XMMPIXPASA-N 0 1 497.684 4.646 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(F)(F)C1)N1CCOCC1 ZINC001545809544 1067136230 /nfs/dbraw/zinc/13/62/30/1067136230.db2.gz FXRJDFYMCIVWLT-FQEVSTJZSA-N 0 1 467.992 4.581 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001451031873 1067140756 /nfs/dbraw/zinc/14/07/56/1067140756.db2.gz CPBIIRUHDVBHLG-HZPDHXFCSA-N 0 1 456.921 4.818 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccccc1)N1CCOCC1 ZINC001545814399 1067142521 /nfs/dbraw/zinc/14/25/21/1067142521.db2.gz AQWAPYNFPWKIAO-SDUSCBPUSA-N 0 1 469.674 4.507 20 0 JJADMN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1cc(-c2ccccc2)n[nH]1 ZINC001451055900 1067143943 /nfs/dbraw/zinc/14/39/43/1067143943.db2.gz YKGOVTKLGSOKAY-UHFFFAOYSA-N 0 1 456.731 4.990 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC001451050059 1067144181 /nfs/dbraw/zinc/14/41/81/1067144181.db2.gz TWQNJKHKNOQSNI-ISJGIBHGSA-N 0 1 481.612 4.700 20 0 JJADMN COc1ccc(CCNc2nnc(S[C@H]3CCN(Cc4ccccc4)C3)s2)cc1OC ZINC001458784672 1067146099 /nfs/dbraw/zinc/14/60/99/1067146099.db2.gz VFGCPCVHKBXDJZ-IBGZPJMESA-N 0 1 456.637 4.577 20 0 JJADMN CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(C)C1)N1CCOCC1 ZINC001545817176 1067147297 /nfs/dbraw/zinc/14/72/97/1067147297.db2.gz FWSGJQJQQBDASI-SANMLTNESA-N 0 1 465.686 4.861 20 0 JJADMN CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N(C)[C@H]1CCc2ccccc21)N1CCOCC1 ZINC001545817177 1067147412 /nfs/dbraw/zinc/14/74/12/1067147412.db2.gz FXFBLQBHYFHCJY-DQEYMECFSA-N 0 1 453.675 4.737 20 0 JJADMN O=c1[nH]nc(SCCOc2ccc(Cl)cc2Br)n1CCc1ccccc1 ZINC001458796553 1067149970 /nfs/dbraw/zinc/14/99/70/1067149970.db2.gz ZUKGJACXRAWIJJ-UHFFFAOYSA-N 0 1 454.777 4.813 20 0 JJADMN CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1)N1CCOCC1 ZINC001545817682 1067151160 /nfs/dbraw/zinc/15/11/60/1067151160.db2.gz OAUMMRATXJYHEV-XMMPIXPASA-N 0 1 471.665 4.771 20 0 JJADMN Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cc2)ccc1F ZINC001451189449 1067152807 /nfs/dbraw/zinc/15/28/07/1067152807.db2.gz ADTJMMCXRHJTOV-UHFFFAOYSA-N 0 1 455.555 4.557 20 0 JJADMN CCC(CC)[C@@H](Cn1c(N(C)[C@@H]2CCc3ccccc32)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819354 1067154366 /nfs/dbraw/zinc/15/43/66/1067154366.db2.gz DNHGLBDZVBQJJG-DNQXCXABSA-N 0 1 453.675 4.836 20 0 JJADMN C[C@H]1CC=C(C(=O)N2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)[nH]n3)CC2)CC1 ZINC001451242458 1067155164 /nfs/dbraw/zinc/15/51/64/1067155164.db2.gz FNYLOVJGKAUQAW-SFHVURJKSA-N 0 1 456.631 4.977 20 0 JJADMN CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(F)(F)CC1)N1CCOCC1 ZINC001545819885 1067156509 /nfs/dbraw/zinc/15/65/09/1067156509.db2.gz NWQZOFVCQLEOFQ-HSZRJFAPSA-N 0 1 491.627 4.538 20 0 JJADMN CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCCCCCC1)N1CCOCC1 ZINC001545820031 1067157197 /nfs/dbraw/zinc/15/71/97/1067157197.db2.gz QFMUMJUXKUTPHC-AREMUKBSSA-N 0 1 467.702 4.971 20 0 JJADMN CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1)N1CCOCC1 ZINC001545820025 1067157207 /nfs/dbraw/zinc/15/72/07/1067157207.db2.gz QCFGXZBBCVXEOY-UMFSSWHCSA-N 0 1 483.701 4.785 20 0 JJADMN CCC(CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1C)N1CCOCC1 ZINC001545820538 1067159992 /nfs/dbraw/zinc/15/99/92/1067159992.db2.gz ZMUSAUDDRNPIJT-LADGPHEKSA-N 0 1 469.674 4.600 20 0 JJADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC001458835335 1067164224 /nfs/dbraw/zinc/16/42/24/1067164224.db2.gz NAPFMPGBRAVGLC-OCCSQVGLSA-N 0 1 453.406 4.829 20 0 JJADMN Cc1c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cnn1-c1ccccc1F ZINC001458836134 1067164283 /nfs/dbraw/zinc/16/42/83/1067164283.db2.gz MBRHBICARDTEHC-HSZRJFAPSA-N 0 1 456.512 4.944 20 0 JJADMN CC(C)Cn1ncc2cc(C(=O)N[C@H](c3ccc(F)c(F)c3)C(C)(C)N3CCCC3)cnc21 ZINC001458841228 1067168205 /nfs/dbraw/zinc/16/82/05/1067168205.db2.gz YTALONRVIJFCNZ-JOCHJYFZSA-N 0 1 455.553 4.711 20 0 JJADMN CCC(CC)c1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(CC)[C@H](C)C2)on1 ZINC001545826522 1067174637 /nfs/dbraw/zinc/17/46/37/1067174637.db2.gz OWNAUTKKHRDNTK-GOSISDBHSA-N 0 1 487.048 4.981 20 0 JJADMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CSc2nc(-c3ccccc3O)n[nH]2)cc1 ZINC001458864501 1067177866 /nfs/dbraw/zinc/17/78/66/1067177866.db2.gz YTYXMNHAMRJIMJ-INIZCTEOSA-N 0 1 456.568 4.587 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001545827767 1067177783 /nfs/dbraw/zinc/17/77/83/1067177783.db2.gz AMSIRJVOLMLFOY-HXJXPZHGSA-N 0 1 454.663 4.514 20 0 JJADMN O=C(NCc1n[nH]c(-c2ccncc2)n1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC001451611946 1067181027 /nfs/dbraw/zinc/18/10/27/1067181027.db2.gz UYYLBJFLXOZQGJ-UHFFFAOYSA-N 0 1 454.317 4.683 20 0 JJADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC001458903672 1067190963 /nfs/dbraw/zinc/19/09/63/1067190963.db2.gz NUKHERQDHIGBQN-GCZGRYASSA-N 0 1 456.593 4.895 20 0 JJADMN CN(CCC1CCN(C(=O)c2cc(-c3c[nH]c4ccccc43)[nH]n2)CC1)C(=O)OC(C)(C)C ZINC001545838647 1067192011 /nfs/dbraw/zinc/19/20/11/1067192011.db2.gz YEPSWQNJHHOGJQ-UHFFFAOYSA-N 0 1 451.571 4.667 20 0 JJADMN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)s1 ZINC001451928421 1067199152 /nfs/dbraw/zinc/19/91/52/1067199152.db2.gz YZVAVGWVJNIJDI-QGZVFWFLSA-N 0 1 459.959 4.655 20 0 JJADMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)c1C ZINC001452309205 1067219279 /nfs/dbraw/zinc/21/92/79/1067219279.db2.gz BEUVJAPEKMKIKG-DNVCBOLYSA-N 0 1 452.580 4.820 20 0 JJADMN O=C(Nc1ccc(CO)cc1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001452443585 1067224407 /nfs/dbraw/zinc/22/44/07/1067224407.db2.gz MYPKESFTKXDRHK-UHFFFAOYSA-N 0 1 451.331 4.539 20 0 JJADMN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)[C@H]1CCCCO1 ZINC001452630017 1067238957 /nfs/dbraw/zinc/23/89/57/1067238957.db2.gz GFNDJWLCZXWXGG-AZUAARDMSA-N 0 1 450.988 4.527 20 0 JJADMN CCC1(CC)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)N(C)C)C1 ZINC001546106164 1067241772 /nfs/dbraw/zinc/24/17/72/1067241772.db2.gz LJUSOKRKMFKYFT-OAQYLSRUSA-N 0 1 467.614 4.875 20 0 JJADMN Cc1ccc(CC(=O)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Br ZINC001452687725 1067243355 /nfs/dbraw/zinc/24/33/55/1067243355.db2.gz AWRRAAGRECVYNN-KDURUIRLSA-N 0 1 459.428 4.568 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CN(C)C(=O)c3ccc(OCC(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC001452688251 1067243783 /nfs/dbraw/zinc/24/37/83/1067243783.db2.gz DKCLRXSVJOGIEL-HDICACEKSA-N 0 1 450.501 4.509 20 0 JJADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC001459076943 1067246389 /nfs/dbraw/zinc/24/63/89/1067246389.db2.gz SQYSOBNOEJQMMF-GXTWGEPZSA-N 0 1 453.406 4.515 20 0 JJADMN C[C@H](C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1)N1CCC(Cc2ccccc2)CC1 ZINC001452752555 1067248592 /nfs/dbraw/zinc/24/85/92/1067248592.db2.gz DQLHDJCAPRZYTC-QHAWAJNXSA-N 0 1 453.602 4.721 20 0 JJADMN Cc1sc2ncnc(SCC(=O)N3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@H]3C)c2c1C ZINC001452779553 1067251833 /nfs/dbraw/zinc/25/18/33/1067251833.db2.gz XVLKRQVGRMBYMJ-RYQLBKOJSA-N 0 1 454.665 4.910 20 0 JJADMN CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC1CCC1 ZINC001452818870 1067255805 /nfs/dbraw/zinc/25/58/05/1067255805.db2.gz OHGGUNKXYLVBHJ-QHCPKHFHSA-N 0 1 452.599 4.615 20 0 JJADMN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)C)CC2)O1 ZINC001546045315 1067259585 /nfs/dbraw/zinc/25/95/85/1067259585.db2.gz NLIVNPNYNRUUNT-QHWMMSMNSA-N 0 1 469.674 4.913 20 0 JJADMN CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC001452926239 1067265063 /nfs/dbraw/zinc/26/50/63/1067265063.db2.gz AEDMMHBPDULIEO-DEOSSOPVSA-N 0 1 457.659 4.831 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001452987990 1067271113 /nfs/dbraw/zinc/27/11/13/1067271113.db2.gz BDXZFHLXPSUVQP-IRXDYDNUSA-N 0 1 468.447 4.856 20 0 JJADMN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncc(Br)cc1O ZINC001452997133 1067272874 /nfs/dbraw/zinc/27/28/74/1067272874.db2.gz KQCQQMCKXIQKJS-SFHVURJKSA-N 0 1 459.262 4.686 20 0 JJADMN CSCC1(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1 ZINC001453069653 1067276498 /nfs/dbraw/zinc/27/64/98/1067276498.db2.gz BAYBIKOCPRPSMO-UHFFFAOYSA-N 0 1 456.992 4.543 20 0 JJADMN CC(C)Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC001453135516 1067283335 /nfs/dbraw/zinc/28/33/35/1067283335.db2.gz ZXXVJPHAUFMPTC-ROUUACIJSA-N 0 1 456.505 4.763 20 0 JJADMN C[C@]12CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C[C@H]1C2(Br)Br ZINC001453360162 1067300950 /nfs/dbraw/zinc/30/09/50/1067300950.db2.gz VRSIKPODYMEYDO-ZBFHGGJFSA-N 0 1 473.596 4.698 20 0 JJADMN CC(C)[C@H]1CN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CCN1Cc1ccccc1 ZINC001453490775 1067308916 /nfs/dbraw/zinc/30/89/16/1067308916.db2.gz CSDCYDQGYORASY-XMMPIXPASA-N 0 1 451.611 4.797 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCOC3)ccc1Cl ZINC001453528825 1067310910 /nfs/dbraw/zinc/31/09/10/1067310910.db2.gz WTHRVXREZMBLKI-UHFFFAOYSA-N 0 1 456.951 4.774 20 0 JJADMN COc1cccc(S(=O)(=O)CCN(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC001459388302 1067310866 /nfs/dbraw/zinc/31/08/66/1067310866.db2.gz AWLMZMQYLQIKED-YCRNBWNJSA-N 0 1 459.608 4.525 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](c4cccc(Cl)c4)[C@@H]3C)n[nH]2)c1C ZINC001453674785 1067321240 /nfs/dbraw/zinc/32/12/40/1067321240.db2.gz IMIGOLKIRAHQJO-GAJHUEQPSA-N 0 1 455.990 4.946 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546108784 1067323236 /nfs/dbraw/zinc/32/32/36/1067323236.db2.gz KWFVEVCGEQSDID-PMACEKPBSA-N 0 1 475.628 4.663 20 0 JJADMN CC(C)c1ccc(CN(C(=O)CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001459451136 1067326436 /nfs/dbraw/zinc/32/64/36/1067326436.db2.gz QJLTXWFOPFGCFX-UHFFFAOYSA-N 0 1 457.659 4.880 20 0 JJADMN O=C(CN(Cc1ccccc1)CC1CCOCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001459483981 1067336166 /nfs/dbraw/zinc/33/61/66/1067336166.db2.gz PPDKCHWLPIJTNB-UHFFFAOYSA-N 0 1 457.546 4.956 20 0 JJADMN COc1cc(CN(C)CCc2nc3sc4c(c3c(N)n2)CCCC4)c(SC)cc1OC ZINC001459532348 1067346729 /nfs/dbraw/zinc/34/67/29/1067346729.db2.gz XBVMEPHDYIRQHC-UHFFFAOYSA-N 0 1 458.653 4.566 20 0 JJADMN CO[C@]1(C)C[C@@H](N(C)CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC001459554988 1067349944 /nfs/dbraw/zinc/34/99/44/1067349944.db2.gz BIIQKKQNURAQCK-AUZMWRNASA-N 0 1 451.611 4.594 20 0 JJADMN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C[C@H](O)c1cc(Br)no1)CCO2 ZINC001459566563 1067353596 /nfs/dbraw/zinc/35/35/96/1067353596.db2.gz AYOBKBHWWHKRFZ-OALUTQOASA-N 0 1 459.340 4.505 20 0 JJADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001459605932 1067361181 /nfs/dbraw/zinc/36/11/81/1067361181.db2.gz DWLLZZFTSVJMSB-XMMPIXPASA-N 0 1 451.014 4.986 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546110464 1067362915 /nfs/dbraw/zinc/36/29/15/1067362915.db2.gz AJGUNULLUICKNY-KDURUIRLSA-N 0 1 474.719 4.538 20 0 JJADMN C[C@@H](N[C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668607 1067377983 /nfs/dbraw/zinc/37/79/83/1067377983.db2.gz LMHNHUNRUGSEMH-XMSQKQJNSA-N 0 1 459.575 4.555 20 0 JJADMN CCOC(=O)C1=C(CN[C@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@H]1c1ccco1 ZINC001459685630 1067383339 /nfs/dbraw/zinc/38/33/39/1067383339.db2.gz PHQXOJMHJVRFEE-ZEQRLZLVSA-N 0 1 453.583 4.636 20 0 JJADMN CC[C@@H](C)N(CCC(=O)Nc1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC001459698260 1067387273 /nfs/dbraw/zinc/38/72/73/1067387273.db2.gz YGJNPHSYVSQJBG-OAHLLOKOSA-N 0 1 457.372 4.727 20 0 JJADMN CCCCn1c(CN2CCC[C@H](C)[C@@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706941 1067389664 /nfs/dbraw/zinc/38/96/64/1067389664.db2.gz BZFYRUVJKFATEI-FPOVZHCZSA-N 0 1 451.615 4.548 20 0 JJADMN CCOC(=O)C[C@@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715507 1067393339 /nfs/dbraw/zinc/39/33/39/1067393339.db2.gz IIEKZXAUXZGIHK-CPJSRVTESA-N 0 1 452.595 4.861 20 0 JJADMN CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715515 1067393459 /nfs/dbraw/zinc/39/34/59/1067393459.db2.gz IIEKZXAUXZGIHK-NBGIEHNGSA-N 0 1 452.595 4.861 20 0 JJADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCCC2 ZINC001459724839 1067396682 /nfs/dbraw/zinc/39/66/82/1067396682.db2.gz ZBOIRNSUQKUVPT-AZXNSQLWSA-N 0 1 457.659 4.756 20 0 JJADMN O=C(CNC1(c2ccc(Br)cc2)CCC1)Nc1ccc(Br)cc1F ZINC001459746524 1067403966 /nfs/dbraw/zinc/40/39/66/1067403966.db2.gz AFVLSMBJTUENOD-UHFFFAOYSA-N 0 1 456.153 4.958 20 0 JJADMN Cc1cc(NC(=O)CNC2(c3ccc(Br)cc3)CCC2)n(-c2ccc(C)cc2)n1 ZINC001459747340 1067404553 /nfs/dbraw/zinc/40/45/53/1067404553.db2.gz FEOOXSIDLBNPBM-UHFFFAOYSA-N 0 1 453.384 4.859 20 0 JJADMN COC(=O)Nc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)cc1 ZINC001459751359 1067406281 /nfs/dbraw/zinc/40/62/81/1067406281.db2.gz ZYHASFNRSSCJCC-SANMLTNESA-N 0 1 457.574 4.979 20 0 JJADMN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC001459754517 1067407950 /nfs/dbraw/zinc/40/79/50/1067407950.db2.gz QVVKOEITCAKSRN-SFHVURJKSA-N 0 1 458.908 4.585 20 0 JJADMN CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459757474 1067409847 /nfs/dbraw/zinc/40/98/47/1067409847.db2.gz UMYYEQSXNAJUIE-OAQYLSRUSA-N 0 1 458.400 4.825 20 0 JJADMN CCN(CC)[C@H](C(=O)N1CCN(c2cccc(F)c2F)CC1)c1cccc(C(F)(F)F)c1 ZINC001459759312 1067410877 /nfs/dbraw/zinc/41/08/77/1067410877.db2.gz FAHSJEVWCRPCIR-NRFANRHFSA-N 0 1 455.471 4.715 20 0 JJADMN O=C(CN1CCC(c2ccccc2C(F)(F)F)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459765926 1067413344 /nfs/dbraw/zinc/41/33/44/1067413344.db2.gz WWLSKALRDMVEMA-QFIPXVFZSA-N 0 1 450.476 4.624 20 0 JJADMN CCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001459771842 1067415613 /nfs/dbraw/zinc/41/56/13/1067415613.db2.gz MGDJCKZFEDQQEP-HXUWFJFHSA-N 0 1 452.595 4.547 20 0 JJADMN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1(C(N)=O)CCCC1 ZINC001459774396 1067416738 /nfs/dbraw/zinc/41/67/38/1067416738.db2.gz NDJUKBJGJHKCOE-UHFFFAOYSA-N 0 1 453.384 4.532 20 0 JJADMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CN(Cc1csc(Br)c1)C1CC1)O2 ZINC001459794671 1067426739 /nfs/dbraw/zinc/42/67/39/1067426739.db2.gz CJNUDTVNJGMIMW-MRXNPFEDSA-N 0 1 457.434 4.644 20 0 JJADMN COc1ccc(N=c2scc(CN3CCC[C@](C)(CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001459798533 1067428603 /nfs/dbraw/zinc/42/86/03/1067428603.db2.gz SUWPDFJRUBXRGN-FNZWTVRRSA-N 0 1 451.636 4.994 20 0 JJADMN O=C(CN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC001459798983 1067428620 /nfs/dbraw/zinc/42/86/20/1067428620.db2.gz WSUOTBVWMGMDCG-RUZDIDTESA-N 0 1 454.492 4.980 20 0 JJADMN CCC[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CCN1Cc1ccccc1 ZINC001459812189 1067433951 /nfs/dbraw/zinc/43/39/51/1067433951.db2.gz CIFYAVPNKFMTTF-GMAHTHKFSA-N 0 1 456.428 4.689 20 0 JJADMN CC(C)([C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001459816517 1067436038 /nfs/dbraw/zinc/43/60/38/1067436038.db2.gz WTCYQUNUNBEBLQ-FQEVSTJZSA-N 0 1 458.521 4.666 20 0 JJADMN CCC[C@H]1CN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCN1Cc1ccccc1 ZINC001459815861 1067436075 /nfs/dbraw/zinc/43/60/75/1067436075.db2.gz UUVYWFDPORNZII-LADGPHEKSA-N 0 1 457.565 4.770 20 0 JJADMN CN(C(=O)CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nc2ccccc2s1 ZINC001459817302 1067436456 /nfs/dbraw/zinc/43/64/56/1067436456.db2.gz ZTMZNWXMMGUYOW-QFIPXVFZSA-N 0 1 458.578 4.743 20 0 JJADMN COC(=O)c1cc(Br)c(CN[C@@H](C)[C@H](OC)c2ccccc2Cl)cc1OC ZINC001459836637 1067446472 /nfs/dbraw/zinc/44/64/72/1067446472.db2.gz AZPBPLWGIYMTTM-BUXKBTBVSA-N 0 1 456.764 4.764 20 0 JJADMN COC(=O)c1cc(Br)c(CN[C@H](C)[C@@H](OC)c2ccccc2Cl)cc1OC ZINC001459836640 1067446903 /nfs/dbraw/zinc/44/69/03/1067446903.db2.gz AZPBPLWGIYMTTM-CWTRNNRKSA-N 0 1 456.764 4.764 20 0 JJADMN COc1cc([C@H](C)NCC(=O)NCc2ccc(F)cc2C(F)(F)F)ccc1OCC(C)C ZINC001459840519 1067448047 /nfs/dbraw/zinc/44/80/47/1067448047.db2.gz IZYLMLNLZBSQNR-HNNXBMFYSA-N 0 1 456.480 4.855 20 0 JJADMN COc1ccc([C@H](C)NCC(=O)Nc2ccc(Br)c(C)c2)cc1Br ZINC001459845789 1067451414 /nfs/dbraw/zinc/45/14/14/1067451414.db2.gz YWUOTTCSZFUZBI-LBPRGKRZSA-N 0 1 456.178 4.818 20 0 JJADMN CC[C@H](C)[C@@H](NCC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850860 1067456072 /nfs/dbraw/zinc/45/60/72/1067456072.db2.gz OLJDDRKVUWPTGM-UQBPGWFLSA-N 0 1 456.030 4.764 20 0 JJADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2NC1=O ZINC001459851789 1067456785 /nfs/dbraw/zinc/45/67/85/1067456785.db2.gz NKHIETCKFWUDAN-SZNDQCEHSA-N 0 1 450.564 4.517 20 0 JJADMN C[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC001459866189 1067464152 /nfs/dbraw/zinc/46/41/52/1067464152.db2.gz FMCPUKQVRJAUOL-CABCVRRESA-N 0 1 454.527 4.584 20 0 JJADMN C[C@@H](NCC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868958 1067465784 /nfs/dbraw/zinc/46/57/84/1067465784.db2.gz RTCBTXGBFPYZGN-NGOKVRLYSA-N 0 1 459.565 4.851 20 0 JJADMN C[C@@H](NCc1ccnc(-c2ccc(Br)cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC001459870280 1067466877 /nfs/dbraw/zinc/46/68/77/1067466877.db2.gz YZULBVIKFFMKGS-MRXNPFEDSA-N 0 1 451.368 4.884 20 0 JJADMN O=C(CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)NCCc1nc2ccccc2s1 ZINC001459875134 1067468890 /nfs/dbraw/zinc/46/88/90/1067468890.db2.gz HECRLFFEHCSZNR-QFIPXVFZSA-N 0 1 451.542 4.807 20 0 JJADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCC(c2ccccn2)CC1 ZINC001459877198 1067469878 /nfs/dbraw/zinc/46/98/78/1067469878.db2.gz RZLXMKUJAPJSOP-NRFANRHFSA-N 0 1 456.590 4.733 20 0 JJADMN CCOc1cccc2cc([C@H](C)NCC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901303 1067480372 /nfs/dbraw/zinc/48/03/72/1067480372.db2.gz NHAQWTHGVVWHRH-PXNSSMCTSA-N 0 1 452.551 4.863 20 0 JJADMN CCOc1cccc2cc([C@@H](C)NCC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)oc21 ZINC001459901312 1067480392 /nfs/dbraw/zinc/48/03/92/1067480392.db2.gz NHAQWTHGVVWHRH-XLIONFOSSA-N 0 1 452.551 4.863 20 0 JJADMN CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546112601 1067481413 /nfs/dbraw/zinc/48/14/13/1067481413.db2.gz XPWPSXOZAUJNQE-GOTSBHOMSA-N 0 1 469.674 4.681 20 0 JJADMN C[C@H](NCC[C@H]1Sc2ccccc2NC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC001459913312 1067487923 /nfs/dbraw/zinc/48/79/23/1067487923.db2.gz VLGCPIDLQLPVFY-YVEFUNNKSA-N 0 1 459.369 4.653 20 0 JJADMN CC(C)CNC(=O)c1cccc(CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951802 1067504833 /nfs/dbraw/zinc/50/48/33/1067504833.db2.gz QTBQDYICMOHWOC-ISKFKSNPSA-N 0 1 459.993 4.705 20 0 JJADMN CC[C@H](C[N@@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001459959612 1067507539 /nfs/dbraw/zinc/50/75/39/1067507539.db2.gz DJOVXKVXZFOOEU-CQSZACIVSA-N 0 1 451.803 4.584 20 0 JJADMN CC[C@H](CN(C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)Oc1ccc(Cl)c(Cl)c1 ZINC001459959612 1067507545 /nfs/dbraw/zinc/50/75/45/1067507545.db2.gz DJOVXKVXZFOOEU-CQSZACIVSA-N 0 1 451.803 4.584 20 0 JJADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC001459978922 1067514014 /nfs/dbraw/zinc/51/40/14/1067514014.db2.gz GTDCTPUNJZFZMN-FQEVSTJZSA-N 0 1 459.432 4.726 20 0 JJADMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001459981029 1067514390 /nfs/dbraw/zinc/51/43/90/1067514390.db2.gz ZDUGDNQWSWOWGD-GOSISDBHSA-N 0 1 454.636 4.856 20 0 JJADMN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001459981032 1067514859 /nfs/dbraw/zinc/51/48/59/1067514859.db2.gz ZDUGDNQWSWOWGD-SFHVURJKSA-N 0 1 454.636 4.856 20 0 JJADMN O[C@H](CN[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cc(Br)no1 ZINC001459986295 1067516044 /nfs/dbraw/zinc/51/60/44/1067516044.db2.gz GEFMBXOCCPKWSF-GHMZBOCLSA-N 0 1 458.072 4.516 20 0 JJADMN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990754 1067517600 /nfs/dbraw/zinc/51/76/00/1067517600.db2.gz DIEGMIBKCVTCSY-QKVFXAPYSA-N 0 1 455.318 4.655 20 0 JJADMN CCCOc1cccc(CNC(=O)CN2CCC(C)(c3ccc(Br)cc3)CC2)c1 ZINC001460001718 1067522053 /nfs/dbraw/zinc/52/20/53/1067522053.db2.gz IGGNNJQNIGOPNR-UHFFFAOYSA-N 0 1 459.428 4.908 20 0 JJADMN CCOC(=O)[C@]1(C(C)C)CCN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018878 1067530133 /nfs/dbraw/zinc/53/01/33/1067530133.db2.gz KLMHRPMAIJLLHK-UQBPGWFLSA-N 0 1 455.624 4.612 20 0 JJADMN CCOC(=O)[C@]1(C(C)C)CCN([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460018872 1067530234 /nfs/dbraw/zinc/53/02/34/1067530234.db2.gz KLMHRPMAIJLLHK-KBMIEXCESA-N 0 1 455.624 4.612 20 0 JJADMN CC(C)OCc1ccccc1CNC(=O)CN1CCC(c2cccc(Br)c2)CC1 ZINC001460021011 1067530981 /nfs/dbraw/zinc/53/09/81/1067530981.db2.gz ITENOIPDHIZZQY-UHFFFAOYSA-N 0 1 459.428 4.870 20 0 JJADMN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001460051811 1067539603 /nfs/dbraw/zinc/53/96/03/1067539603.db2.gz OXFUWAIIERAULZ-XMMPIXPASA-N 0 1 451.611 4.595 20 0 JJADMN O=C(CCN[C@@H](CO)c1ccccc1OC(F)(F)F)NC(c1ccccc1)c1ccccc1 ZINC001460053010 1067539906 /nfs/dbraw/zinc/53/99/06/1067539906.db2.gz FWYLYEKJPYGENI-NRFANRHFSA-N 0 1 458.480 4.504 20 0 JJADMN O=C(CN(CCC(F)(F)F)Cc1ccccc1)Nc1cccc(CN2CCSCC2)c1 ZINC001460070717 1067545578 /nfs/dbraw/zinc/54/55/78/1067545578.db2.gz VRTUAQNDNFQHHE-UHFFFAOYSA-N 0 1 451.558 4.629 20 0 JJADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC001460077307 1067548116 /nfs/dbraw/zinc/54/81/16/1067548116.db2.gz APTQLFWSBHUPTQ-CYFREDJKSA-N 0 1 456.652 4.792 20 0 JJADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001460097481 1067554256 /nfs/dbraw/zinc/55/42/56/1067554256.db2.gz VNECKVFRERAWGW-LLVKDONJSA-N 0 1 458.734 4.773 20 0 JJADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001460097484 1067554544 /nfs/dbraw/zinc/55/45/44/1067554544.db2.gz VNECKVFRERAWGW-NSHDSACASA-N 0 1 458.734 4.773 20 0 JJADMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC001460116474 1067558739 /nfs/dbraw/zinc/55/87/39/1067558739.db2.gz CGUFRWDMJQDWAD-QGZVFWFLSA-N 0 1 454.368 4.698 20 0 JJADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122646 1067559768 /nfs/dbraw/zinc/55/97/68/1067559768.db2.gz IIUWKMCVHIZRMB-QGZVFWFLSA-N 0 1 458.006 4.504 20 0 JJADMN Ic1cccc(C[C@H]2CCN(Cc3nccn3Cc3ccccc3)C2)c1 ZINC001460135753 1067562149 /nfs/dbraw/zinc/56/21/49/1067562149.db2.gz NVLNJHLKIQWQMU-HXUWFJFHSA-N 0 1 457.359 4.601 20 0 JJADMN COc1ccc([C@H]2CCCCCN2C(=O)CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC001460149078 1067565416 /nfs/dbraw/zinc/56/54/16/1067565416.db2.gz SRWHBARQYXUYNV-YADARESESA-N 0 1 450.558 4.815 20 0 JJADMN Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158465 1067567238 /nfs/dbraw/zinc/56/72/38/1067567238.db2.gz PNCLIJVCEDLHJM-IGKIAQTJSA-N 0 1 451.611 4.808 20 0 JJADMN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)CCc1cccc(Br)c1 ZINC001460168432 1067568676 /nfs/dbraw/zinc/56/86/76/1067568676.db2.gz DIKGXIPNIUDPCA-MRXNPFEDSA-N 0 1 453.808 4.503 20 0 JJADMN CN(CCc1cccc(Br)c1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001460168729 1067568814 /nfs/dbraw/zinc/56/88/14/1067568814.db2.gz FJKRVEGTTYWCOK-GOSISDBHSA-N 0 1 452.190 4.639 20 0 JJADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001460181510 1067573032 /nfs/dbraw/zinc/57/30/32/1067573032.db2.gz QDBQHBNRZKURIX-KSFYIVLOSA-N 0 1 455.352 4.892 20 0 JJADMN C[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCNC2=O)cc1 ZINC001460183779 1067573777 /nfs/dbraw/zinc/57/37/77/1067573777.db2.gz VUBWWFNUTIWMGR-GFCCVEGCSA-N 0 1 455.773 4.856 20 0 JJADMN O=C(NC1CCCCC1)OC[C@H]1CCCCN1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001460197551 1067576997 /nfs/dbraw/zinc/57/69/97/1067576997.db2.gz NPRMNTQICQNPIQ-HXUWFJFHSA-N 0 1 451.007 4.957 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCC(Cc3cc(F)ccc3F)CC2)c(OC)c1 ZINC001460233189 1067586207 /nfs/dbraw/zinc/58/62/07/1067586207.db2.gz FTYWGAPBDFIGGE-XMMPIXPASA-N 0 1 458.549 4.600 20 0 JJADMN COc1ccc([C@H](O)CN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@@H](C)Cc2ccccc2)cc1 ZINC001460238569 1067588249 /nfs/dbraw/zinc/58/82/49/1067588249.db2.gz IVQJASRLGWDRJY-JRAXSAEOSA-N 0 1 452.639 4.699 20 0 JJADMN COc1ccc([C@H](O)CN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@H](C)Cc2ccccc2)cc1 ZINC001460238567 1067588261 /nfs/dbraw/zinc/58/82/61/1067588261.db2.gz IVQJASRLGWDRJY-IKAXQFJBSA-N 0 1 452.639 4.699 20 0 JJADMN CC(C)c1ccc(CN(C(=O)CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001460263056 1067593242 /nfs/dbraw/zinc/59/32/42/1067593242.db2.gz JXOJGJUMBLRLEI-UHFFFAOYSA-N 0 1 455.643 4.776 20 0 JJADMN C[C@@H]1C[C@H](C)N(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269817 1067594312 /nfs/dbraw/zinc/59/43/12/1067594312.db2.gz HBQPFRUQHKDEFF-VYVQKFEUSA-N 0 1 457.659 4.905 20 0 JJADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCSC[C@H]1C1CCC1 ZINC001460273440 1067595310 /nfs/dbraw/zinc/59/53/10/1067595310.db2.gz URSMUTJABWCBJH-CYFREDJKSA-N 0 1 451.636 4.676 20 0 JJADMN COC(=O)[C@@H]1CN(Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1c1ccc(Br)cc1 ZINC001460278036 1067596229 /nfs/dbraw/zinc/59/62/29/1067596229.db2.gz PQUYIDMAAIWLCV-LEWJYISDSA-N 0 1 474.786 4.677 20 0 JJADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC001460303258 1067602802 /nfs/dbraw/zinc/60/28/02/1067602802.db2.gz XYMYYGBPCBGMLR-PVERMEFCSA-N 0 1 452.570 4.545 20 0 JJADMN COC(=O)[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460315245 1067605831 /nfs/dbraw/zinc/60/58/31/1067605831.db2.gz LTWWAADBAFDGCL-NNMXDRDESA-N 0 1 461.389 4.546 20 0 JJADMN COC(=O)[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460315242 1067605836 /nfs/dbraw/zinc/60/58/36/1067605836.db2.gz LTWWAADBAFDGCL-JQVVWYNYSA-N 0 1 461.389 4.546 20 0 JJADMN CC[C@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)ccn1 ZINC001460346067 1067613284 /nfs/dbraw/zinc/61/32/84/1067613284.db2.gz HYJCFXRKXNEHLC-BKMJKUGQSA-N 0 1 458.606 4.961 20 0 JJADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCc4ccccc4[C@H](C)C3)cc2)cc1 ZINC001460345829 1067613374 /nfs/dbraw/zinc/61/33/74/1067613374.db2.gz WXMWURLTYVEKRW-HXUWFJFHSA-N 0 1 457.574 4.938 20 0 JJADMN CC[C@@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)ccn1 ZINC001460346068 1067613411 /nfs/dbraw/zinc/61/34/11/1067613411.db2.gz HYJCFXRKXNEHLC-GJZUVCINSA-N 0 1 458.606 4.961 20 0 JJADMN Brc1ccc([C@@H]2COCCN2Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC001460356897 1067616950 /nfs/dbraw/zinc/61/69/50/1067616950.db2.gz AGSRPEUXRFLJHV-KRWDZBQOSA-N 0 1 451.162 4.661 20 0 JJADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460357756 1067616961 /nfs/dbraw/zinc/61/69/61/1067616961.db2.gz BGDMKIUMVQJILC-GCOVDLRRSA-N 0 1 455.599 4.579 20 0 JJADMN CC[C@]1(Cc2ccccc2)CCCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001460413834 1067630785 /nfs/dbraw/zinc/63/07/85/1067630785.db2.gz XUEUCYGIYROPEX-XUZZJYLKSA-N 0 1 459.512 4.780 20 0 JJADMN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413017 1067630798 /nfs/dbraw/zinc/63/07/98/1067630798.db2.gz UDOVNMUFFQQLEB-SJLPKXTDSA-N 0 1 451.558 4.651 20 0 JJADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460413018 1067630863 /nfs/dbraw/zinc/63/08/63/1067630863.db2.gz UDOVNMUFFQQLEB-WMZOPIPTSA-N 0 1 451.558 4.651 20 0 JJADMN COc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001460448857 1067636730 /nfs/dbraw/zinc/63/67/30/1067636730.db2.gz FCZHMWQXPVOJQF-VQIMIIECSA-N 0 1 454.011 4.693 20 0 JJADMN O=C([N-][C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460456387 1067637487 /nfs/dbraw/zinc/63/74/87/1067637487.db2.gz AFFAKTVKPSQSQE-RTBURBONSA-N 0 1 460.418 4.664 20 0 JJADMN O=C(N[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460456387 1067637490 /nfs/dbraw/zinc/63/74/90/1067637490.db2.gz AFFAKTVKPSQSQE-RTBURBONSA-N 0 1 460.418 4.664 20 0 JJADMN O=C(N[C@@H]1CN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460457821 1067637544 /nfs/dbraw/zinc/63/75/44/1067637544.db2.gz FLYPJPGIIMJDOK-SJLPKXTDSA-N 0 1 471.310 4.678 20 0 JJADMN O=C([N-][C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460472477 1067639952 /nfs/dbraw/zinc/63/99/52/1067639952.db2.gz PTUSRQCUCCWORK-QEUVDIPISA-N 0 1 486.456 4.705 20 0 JJADMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C[C@H](C)c3ccc(C(C)C)cc3)cc2)n1 ZINC001460624365 1067676287 /nfs/dbraw/zinc/67/62/87/1067676287.db2.gz DKDDTOXTNDPXQH-KRWDZBQOSA-N 0 1 452.580 4.842 20 0 JJADMN COC(=O)c1c2c(sc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C[C@@H](C)CC2 ZINC001460627206 1067677439 /nfs/dbraw/zinc/67/74/39/1067677439.db2.gz RDFBNDRLWDGZJQ-VVUGWJFESA-N 0 1 480.989 4.510 20 0 JJADMN COc1ccc([C@@H]2CN(CCOc3ccc(Cl)c(F)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460648336 1067685767 /nfs/dbraw/zinc/68/57/67/1067685767.db2.gz ADWBSYUCNJWNSE-SIKLNZKXSA-N 0 1 464.965 4.859 20 0 JJADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 ZINC001460657166 1067690423 /nfs/dbraw/zinc/69/04/23/1067690423.db2.gz WGVNJFGFHMXHOG-UHFFFAOYSA-N 0 1 458.534 4.929 20 0 JJADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001460667292 1067694066 /nfs/dbraw/zinc/69/40/66/1067694066.db2.gz RBFLHROULWONNI-QGZVFWFLSA-N 0 1 451.436 4.780 20 0 JJADMN O=C(CN[C@H](Cn1ccnc1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460689244 1067702447 /nfs/dbraw/zinc/70/24/47/1067702447.db2.gz HJTVBRWWYKBAKS-GOSISDBHSA-N 0 1 456.390 4.890 20 0 JJADMN COc1cc2c(cc1OC)[C@@H](C)N(CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC001460723752 1067709936 /nfs/dbraw/zinc/70/99/36/1067709936.db2.gz GYUWXWGXNBVOGJ-CYBMUJFWSA-N 0 1 451.336 4.553 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747926 1067714828 /nfs/dbraw/zinc/71/48/28/1067714828.db2.gz XFJPOJDNELCXQP-YWZLYKJASA-N 0 1 452.473 4.617 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC001460747909 1067714951 /nfs/dbraw/zinc/71/49/51/1067714951.db2.gz XFJPOJDNELCXQP-MGPUTAFESA-N 0 1 452.473 4.617 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779777 1067721959 /nfs/dbraw/zinc/72/19/59/1067721959.db2.gz YTXIAMSDZBSCCE-FYQCMVGJSA-N 0 1 455.643 4.856 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779777 1067721962 /nfs/dbraw/zinc/72/19/62/1067721962.db2.gz YTXIAMSDZBSCCE-FYQCMVGJSA-N 0 1 455.643 4.856 20 0 JJADMN COc1ccc(CCNC(=O)[C@@H](C)N[C@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801826 1067727135 /nfs/dbraw/zinc/72/71/35/1067727135.db2.gz BCSOXUWRBLHFRG-HUUCEWRRSA-N 0 1 456.530 4.714 20 0 JJADMN CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001460811467 1067728302 /nfs/dbraw/zinc/72/83/02/1067728302.db2.gz ILXCLUPGLHARMQ-JOCHJYFZSA-N 0 1 452.555 4.628 20 0 JJADMN C[C@@H](CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccc(F)c(Br)c1 ZINC001460857389 1067735901 /nfs/dbraw/zinc/73/59/01/1067735901.db2.gz ZTNLUJDSYYSPBV-ZDUSSCGKSA-N 0 1 453.318 4.957 20 0 JJADMN Cc1ccc([C@H](NC(=O)CN2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)C2CC2)cc1 ZINC001460863843 1067737141 /nfs/dbraw/zinc/73/71/41/1067737141.db2.gz XHHBMZNKSDWXJK-DEOSSOPVSA-N 0 1 457.659 4.825 20 0 JJADMN C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460880630 1067741442 /nfs/dbraw/zinc/74/14/42/1067741442.db2.gz HYHBZYIFECNTHM-GDBMZVCRSA-N 0 1 450.377 4.697 20 0 JJADMN C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460879795 1067741470 /nfs/dbraw/zinc/74/14/70/1067741470.db2.gz BWWDJHVXLDCOIP-JLGINSKQSA-N 0 1 472.029 4.638 20 0 JJADMN CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001460884255 1067742343 /nfs/dbraw/zinc/74/23/43/1067742343.db2.gz YDRXPJYCARGRGC-HNNXBMFYSA-N 0 1 450.377 4.841 20 0 JJADMN CC[C@@H](NCc1ccc(Br)cc1SC)c1ccccc1OCC(=O)N(C)C ZINC001461064838 1067774315 /nfs/dbraw/zinc/77/43/15/1067774315.db2.gz QXXOTQRYHRXNNP-GOSISDBHSA-N 0 1 451.430 4.879 20 0 JJADMN Nc1c(Br)cc(Br)cc1CNCc1ccc(OC2CCCC2)nc1 ZINC001461068152 1067775084 /nfs/dbraw/zinc/77/50/84/1067775084.db2.gz HLGBOQLQQHJVCP-UHFFFAOYSA-N 0 1 455.194 4.800 20 0 JJADMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1nc2cc(Br)ccc2o1 ZINC001461144775 1067788732 /nfs/dbraw/zinc/78/87/32/1067788732.db2.gz UTQGOTKUAHMCLZ-OAHLLOKOSA-N 0 1 457.372 4.697 20 0 JJADMN COc1cc(CNCc2c(Cl)n(C)nc2-c2ccccc2)cc(Br)c1OC ZINC001461180497 1067793882 /nfs/dbraw/zinc/79/38/82/1067793882.db2.gz LXHGQJAZXYPRDI-UHFFFAOYSA-N 0 1 450.764 4.810 20 0 JJADMN COc1ccc2oc(CNCC(C)(C)S(=O)(=O)c3ccc(Br)cc3)cc2c1 ZINC001461210050 1067800324 /nfs/dbraw/zinc/80/03/24/1067800324.db2.gz ZXVHNSBDWGNOTM-UHFFFAOYSA-N 0 1 452.370 4.546 20 0 JJADMN COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2cc(F)ccc2N2CCOCC2)c1 ZINC001461225618 1067804041 /nfs/dbraw/zinc/80/40/41/1067804041.db2.gz SUUUJXADZZNCMG-UHFFFAOYSA-N 0 1 452.574 4.579 20 0 JJADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC001461260408 1067812894 /nfs/dbraw/zinc/81/28/94/1067812894.db2.gz GFYVEUOSSULTKS-XJKSGUPXSA-N 0 1 450.473 4.617 20 0 JJADMN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001461298912 1067821959 /nfs/dbraw/zinc/82/19/59/1067821959.db2.gz GPOZPWLIIMTOLS-YTQUADARSA-N 0 1 450.608 4.890 20 0 JJADMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC001461302739 1067823017 /nfs/dbraw/zinc/82/30/17/1067823017.db2.gz YLDXAAKZXXNCCC-RCCFBDPRSA-N 0 1 455.396 4.735 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001461306990 1067824629 /nfs/dbraw/zinc/82/46/29/1067824629.db2.gz HJSNQINRAHZXMH-CAMMJAKZSA-N 0 1 450.549 4.676 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NCc2cnc3ccc(Br)cn23)c1 ZINC001461315629 1067826514 /nfs/dbraw/zinc/82/65/14/1067826514.db2.gz RVVFRTUVPBJJMS-UHFFFAOYSA-N 0 1 456.388 4.523 20 0 JJADMN CCOc1ccc(Cl)cc1CNCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC001461353077 1067836736 /nfs/dbraw/zinc/83/67/36/1067836736.db2.gz HJMGJQSXCJMZSL-UHFFFAOYSA-N 0 1 451.032 4.590 20 0 JJADMN COc1cc(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC001461439803 1067856771 /nfs/dbraw/zinc/85/67/71/1067856771.db2.gz GLIIUSVYIAELMU-LJQANCHMSA-N 0 1 457.567 4.674 20 0 JJADMN CC(C)(C)OC(=O)N1CCN([C@@H](CNCc2ccc(Cl)c(Cl)c2)C(F)(F)F)CC1 ZINC001461456693 1067861257 /nfs/dbraw/zinc/86/12/57/1067861257.db2.gz UAMSHDFXVSJNSE-INIZCTEOSA-N 0 1 456.336 4.567 20 0 JJADMN COCO[C@H](C)c1cc(F)c(CN[C@]2(CO)CCCc3ccccc32)cc1Br ZINC001461456282 1067861314 /nfs/dbraw/zinc/86/13/14/1067861314.db2.gz RQLJRRWUDMRITL-QRQCRPRQSA-N 0 1 452.364 4.583 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2nc(CNCCc3ccccc3Br)sc2C1 ZINC001461460717 1067862383 /nfs/dbraw/zinc/86/23/83/1067862383.db2.gz NBGOFUWXKIRMCM-UHFFFAOYSA-N 0 1 452.418 4.531 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2c(CNCc3ccncc3OCC(F)(F)F)cccc2C1 ZINC001461465048 1067863775 /nfs/dbraw/zinc/86/37/75/1067863775.db2.gz OZXUFZMHIPQBQI-UHFFFAOYSA-N 0 1 451.489 4.606 20 0 JJADMN CCn1c(Br)c(Br)nc1CNc1ccc(Cl)c(CN(C)C)c1 ZINC001461466074 1067864151 /nfs/dbraw/zinc/86/41/51/1067864151.db2.gz ULXWSQNAXSNWBR-UHFFFAOYSA-N 0 1 450.606 4.755 20 0 JJADMN COc1cc(CNCc2cnccc2C)ccc1OCCOc1cccc(Br)c1 ZINC001461526056 1067881529 /nfs/dbraw/zinc/88/15/29/1067881529.db2.gz ZNKVHUCLZXIZII-UHFFFAOYSA-N 0 1 457.368 4.909 20 0 JJADMN FC(F)(F)Cc1noc(-c2cccc(CNCc3c(C(F)(F)F)nc4n3CCCC4)c2)n1 ZINC001461545038 1067885609 /nfs/dbraw/zinc/88/56/09/1067885609.db2.gz ZRGWFIRXRSBJFS-UHFFFAOYSA-N 0 1 459.394 4.683 20 0 JJADMN CCc1ccccc1[C@H](CNCc1cc2c(C)nn(C)c2nc1Cl)NC(=O)OC(C)(C)C ZINC001461545091 1067885664 /nfs/dbraw/zinc/88/56/64/1067885664.db2.gz CIJMNEOAXQVHKT-FQEVSTJZSA-N 0 1 458.006 4.848 20 0 JJADMN CCOc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc(OCC)c1OCC ZINC001461595355 1067896869 /nfs/dbraw/zinc/89/68/69/1067896869.db2.gz GAWNDYVOCJRPLM-HSZRJFAPSA-N 0 1 454.611 4.865 20 0 JJADMN COc1ccc(CCC(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461595197 1067897117 /nfs/dbraw/zinc/89/71/17/1067897117.db2.gz FQILAQXJXJSAFV-HSZRJFAPSA-N 0 1 459.428 4.759 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CCN1Cc1ccccc1 ZINC001461597466 1067897952 /nfs/dbraw/zinc/89/79/52/1067897952.db2.gz KCIMVTQZSAGTKG-QHCPKHFHSA-N 0 1 452.396 4.980 20 0 JJADMN COc1ccc(CNC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)c(Br)c1O ZINC001461622629 1067903771 /nfs/dbraw/zinc/90/37/71/1067903771.db2.gz YYQBJWQXOJZOQD-QFIPXVFZSA-N 0 1 450.373 4.553 20 0 JJADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCOCCN(C)C(=O)OC(C)(C)C ZINC001461648525 1067909472 /nfs/dbraw/zinc/90/94/72/1067909472.db2.gz LMBCCLFCMBJTHL-UHFFFAOYSA-N 0 1 451.011 4.622 20 0 JJADMN CCCOc1c(CNc2nc3ccc(I)cc3[nH]2)cccc1OCC ZINC001461651487 1067910170 /nfs/dbraw/zinc/91/01/70/1067910170.db2.gz AWQXCMPSILCEIB-UHFFFAOYSA-N 0 1 451.308 4.967 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CNCc2ccc(-c3ccccc3)s2)C1 ZINC001461656286 1067911357 /nfs/dbraw/zinc/91/13/57/1067911357.db2.gz LIJWZSMRYFGKND-IBGZPJMESA-N 0 1 453.612 4.868 20 0 JJADMN CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CCOC)[C@@H](C)C2)CCCC1 ZINC001546126385 1067921248 /nfs/dbraw/zinc/92/12/48/1067921248.db2.gz VVSSDOZNUQEKIW-SFTDATJTSA-N 0 1 473.637 4.685 20 0 JJADMN CCOc1cc(CNc2ccc(N3CCN(CC)CC3)c(F)c2)ccc1OCC(F)(F)F ZINC001461702795 1067922013 /nfs/dbraw/zinc/92/20/13/1067922013.db2.gz DCEWKTROMHIBJJ-UHFFFAOYSA-N 0 1 455.496 4.920 20 0 JJADMN O=C(CCc1cc(C(F)(F)F)ccc1Br)NC[C@@H]1CCN1Cc1ccccc1 ZINC001461719722 1067924793 /nfs/dbraw/zinc/92/47/93/1067924793.db2.gz STTZQSGBUIUHHG-SFHVURJKSA-N 0 1 455.318 4.791 20 0 JJADMN FC(F)(F)c1ccc(Br)c(CNCC2(n3cc(Br)cn3)CC2)c1 ZINC001461737385 1067927881 /nfs/dbraw/zinc/92/78/81/1067927881.db2.gz UMCVOTAFLWIRKC-UHFFFAOYSA-N 0 1 453.100 4.706 20 0 JJADMN Cc1cc(Br)cn2c(CN[C@H]3CCOc4ccc(Br)cc43)cnc12 ZINC001461748952 1067929766 /nfs/dbraw/zinc/92/97/66/1067929766.db2.gz CJIJELRZCALVPH-INIZCTEOSA-N 0 1 451.162 4.781 20 0 JJADMN CCO/C=C\[C@@](O)(CNCc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779857 1067936120 /nfs/dbraw/zinc/93/61/20/1067936120.db2.gz XGKLITHRLFHOSB-XITLMJRVSA-N 0 1 451.308 4.506 20 0 JJADMN Brc1cc(Br)cc(CN[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835438 1067944080 /nfs/dbraw/zinc/94/40/80/1067944080.db2.gz IIPLYQARAKZUAL-MJGOQNOKSA-N 0 1 453.174 4.984 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001461848865 1067946264 /nfs/dbraw/zinc/94/62/64/1067946264.db2.gz DMTTZKRUPDJCQM-NRFANRHFSA-N 0 1 456.656 4.705 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CN3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)cc1 ZINC001461849744 1067946672 /nfs/dbraw/zinc/94/66/72/1067946672.db2.gz NBPBJTOVNLJPGV-UXHICEINSA-N 0 1 451.489 4.983 20 0 JJADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC001461850404 1067946727 /nfs/dbraw/zinc/94/67/27/1067946727.db2.gz MNBCPHTXWXHEOM-INIZCTEOSA-N 0 1 454.206 4.624 20 0 JJADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001461855763 1067948211 /nfs/dbraw/zinc/94/82/11/1067948211.db2.gz ZUUVXRPHIMDNBL-QGZVFWFLSA-N 0 1 455.546 4.832 20 0 JJADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001461855763 1067948213 /nfs/dbraw/zinc/94/82/13/1067948213.db2.gz ZUUVXRPHIMDNBL-QGZVFWFLSA-N 0 1 455.546 4.832 20 0 JJADMN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC001461895638 1067956550 /nfs/dbraw/zinc/95/65/50/1067956550.db2.gz DMLAHOAFEHKQLA-UHFFFAOYSA-N 0 1 453.587 4.889 20 0 JJADMN O=C(Nc1ccccc1)NC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001461907125 1067959253 /nfs/dbraw/zinc/95/92/53/1067959253.db2.gz NNQKVWIYQMCOGZ-UHFFFAOYSA-N 0 1 457.500 4.736 20 0 JJADMN CN(C[C@@H]1CCCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)OC(C)(C)C ZINC001461931833 1067963183 /nfs/dbraw/zinc/96/31/83/1067963183.db2.gz BYSLWCCYNIAKNH-FQEVSTJZSA-N 0 1 452.521 4.782 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CN2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001461948947 1067967195 /nfs/dbraw/zinc/96/71/95/1067967195.db2.gz JLQLREVTCIDTDY-VXKWHMMOSA-N 0 1 457.594 4.586 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC001461967082 1067970892 /nfs/dbraw/zinc/97/08/92/1067970892.db2.gz ZTDUTFJXXFVXKM-KDURUIRLSA-N 0 1 459.631 4.975 20 0 JJADMN CN(C)C[C@@H](NC(=O)c1cc(Br)cc(N(C)C)c1)c1ccc(Cl)c(Cl)c1 ZINC001462041416 1067987842 /nfs/dbraw/zinc/98/78/42/1067987842.db2.gz HRIADGFKVPTKBP-GOSISDBHSA-N 0 1 459.215 4.855 20 0 JJADMN CN(C)C[C@@H](NC(=O)c1cnc(Br)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001462041563 1067987859 /nfs/dbraw/zinc/98/78/59/1067987859.db2.gz IXEMLVLOAHPCQR-CQSZACIVSA-N 0 1 451.579 4.837 20 0 JJADMN C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC001462045231 1067988479 /nfs/dbraw/zinc/98/84/79/1067988479.db2.gz BZBLKBYTZDTYDW-SBUREZEXSA-N 0 1 450.970 4.608 20 0 JJADMN CN(C)C[C@@H](NC(=O)c1cc(COc2ccccc2F)on1)c1ccc(Cl)c(Cl)c1 ZINC001462051782 1067991148 /nfs/dbraw/zinc/99/11/48/1067991148.db2.gz OAZFWECUUAWNAD-LJQANCHMSA-N 0 1 452.313 4.732 20 0 JJADMN O=C(C=C1CCC1)Nc1cc(Br)ccc1CN1CCN(Cc2ccccc2)CC1 ZINC001462064845 1067994666 /nfs/dbraw/zinc/99/46/66/1067994666.db2.gz JLWOCKJKAXZLLG-UHFFFAOYSA-N 0 1 454.412 4.816 20 0 JJADMN COCCc1ccc(OC[C@H](C)NCc2cc(Br)ccc2Br)cc1 ZINC001462107832 1068005178 /nfs/dbraw/zinc/00/51/78/1068005178.db2.gz ATFZMZFLZNOARQ-AWEZNQCLSA-N 0 1 457.206 4.958 20 0 JJADMN C[C@H](O)CN1CCN(Cc2ccc(Br)cc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001462132205 1068012377 /nfs/dbraw/zinc/01/23/77/1068012377.db2.gz UFZHGNAXXIBTKQ-AWEZNQCLSA-N 0 1 457.771 4.532 20 0 JJADMN OC[C@H](Cc1ccc(F)cc1)NCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462173142 1068021865 /nfs/dbraw/zinc/02/18/65/1068021865.db2.gz AHMFHWMESXDKGO-INIZCTEOSA-N 0 1 457.334 4.550 20 0 JJADMN COC(=O)[C@H](C)Oc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280791 1068043142 /nfs/dbraw/zinc/04/31/42/1068043142.db2.gz GULDXVAWNOYZFR-KKSFZXQISA-N 0 1 451.485 4.998 20 0 JJADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001462302187 1068047431 /nfs/dbraw/zinc/04/74/31/1068047431.db2.gz CSCRHVCNNVQHQI-SANMLTNESA-N 0 1 455.599 4.876 20 0 JJADMN COc1cc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1OCC(F)F ZINC001462333493 1068052975 /nfs/dbraw/zinc/05/29/75/1068052975.db2.gz OJDPSSZRGXMWBL-QGZVFWFLSA-N 0 1 453.448 4.529 20 0 JJADMN CCc1c(C(=O)Nc2ccc(N3CCN(CC)CC3)c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC001462358949 1068058650 /nfs/dbraw/zinc/05/86/50/1068058650.db2.gz DJFBOIRQBPZEBL-UHFFFAOYSA-N 0 1 455.965 4.621 20 0 JJADMN CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)cc2F)CC1 ZINC001462363305 1068060194 /nfs/dbraw/zinc/06/01/94/1068060194.db2.gz ZUHQCRYYPAKHBY-RBUKOAKNSA-N 0 1 451.464 4.608 20 0 JJADMN COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462412934 1068069372 /nfs/dbraw/zinc/06/93/72/1068069372.db2.gz HIVLMMQAQFIRIY-JLWUKTJBSA-N 0 1 464.503 4.912 20 0 JJADMN COCCN(C(=O)OC(C)(C)C)C1CCN(C[C@H](C)c2cccc(Br)c2)CC1 ZINC001462413366 1068069502 /nfs/dbraw/zinc/06/95/02/1068069502.db2.gz XTHBCUGHCBWGNF-KRWDZBQOSA-N 0 1 455.437 4.901 20 0 JJADMN Cc1cc(Br)c(CN2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC001462440465 1068074773 /nfs/dbraw/zinc/07/47/73/1068074773.db2.gz PQEJXKHUIITSLT-CQSZACIVSA-N 0 1 453.368 4.832 20 0 JJADMN COc1cccc([C@@H](O)C2CCN(Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)CC2)c1 ZINC001462477822 1068082178 /nfs/dbraw/zinc/08/21/78/1068082178.db2.gz GTMULDQPOLLRKU-DEOSSOPVSA-N 0 1 459.512 4.904 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3conc3Cc3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462521458 1068090488 /nfs/dbraw/zinc/09/04/88/1068090488.db2.gz WXIFOASFNOMKOI-UKILVPOCSA-N 0 1 463.578 4.767 20 0 JJADMN CCOc1cc(CN2CCN([C@@H](CC)c3ccc(F)cc3)CC2)cc(Br)c1O ZINC001462555913 1068097531 /nfs/dbraw/zinc/09/75/31/1068097531.db2.gz LPVGZZVNUUZGED-FQEVSTJZSA-N 0 1 451.380 4.961 20 0 JJADMN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CCOC)[C@H](C)C2)CCOCC1 ZINC001546132567 1068101774 /nfs/dbraw/zinc/10/17/74/1068101774.db2.gz NHVJSPJCYIGKRR-GOSISDBHSA-N 0 1 496.483 4.616 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462638563 1068120934 /nfs/dbraw/zinc/12/09/34/1068120934.db2.gz WELHDABHETUKRM-NRFANRHFSA-N 0 1 459.631 4.506 20 0 JJADMN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001462711126 1068138986 /nfs/dbraw/zinc/13/89/86/1068138986.db2.gz PMPQMRQKAHFCSS-QGZVFWFLSA-N 0 1 459.344 4.605 20 0 JJADMN O=C(Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1)c1cc(F)ccc1N1CCOCC1 ZINC001462728518 1068145332 /nfs/dbraw/zinc/14/53/32/1068145332.db2.gz JOZUEJXRTNLFLK-UHFFFAOYSA-N 0 1 451.464 4.529 20 0 JJADMN O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001462730053 1068146519 /nfs/dbraw/zinc/14/65/19/1068146519.db2.gz PJUORSUNJFDLRS-UHFFFAOYSA-N 0 1 450.457 4.828 20 0 JJADMN COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)oc1Cl ZINC001462894285 1068205983 /nfs/dbraw/zinc/20/59/83/1068205983.db2.gz PIQLIRLBXNYNKF-KRWDZBQOSA-N 0 1 454.331 4.635 20 0 JJADMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC001462899347 1068208262 /nfs/dbraw/zinc/20/82/62/1068208262.db2.gz XHQBJWUMXCIDAX-DENIHFKCSA-N 0 1 457.640 4.517 20 0 JJADMN CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462981186 1068237621 /nfs/dbraw/zinc/23/76/21/1068237621.db2.gz HFWHGEDPOLTCOL-QFIPXVFZSA-N 0 1 455.649 4.875 20 0 JJADMN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001462989789 1068241723 /nfs/dbraw/zinc/24/17/23/1068241723.db2.gz MUSQJTCPTPIMGK-UHFFFAOYSA-N 0 1 455.329 4.765 20 0 JJADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCN1Cc1ccccc1 ZINC001463231559 1068328700 /nfs/dbraw/zinc/32/87/00/1068328700.db2.gz OFNMIXSYIZJZHT-IEBWSBKVSA-N 0 1 457.665 4.925 20 0 JJADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001463258384 1068336962 /nfs/dbraw/zinc/33/69/62/1068336962.db2.gz RDDIXNSBUHVSHI-UHFFFAOYSA-N 0 1 451.013 4.946 20 0 JJADMN CCOC(=O)c1cccc2nc(NC(=O)c3cc(C)nc4cc(Br)ccc43)[nH]c21 ZINC001463313785 1068352722 /nfs/dbraw/zinc/35/27/22/1068352722.db2.gz MOFAVVUBFCGOTQ-UHFFFAOYSA-N 0 1 453.296 4.611 20 0 JJADMN O=C(CSc1ccc(Br)cc1)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC001463334917 1068359792 /nfs/dbraw/zinc/35/97/92/1068359792.db2.gz IMRZUXRHKNNVQT-UHFFFAOYSA-N 0 1 459.138 4.958 20 0 JJADMN CC(C)(C)Oc1ccc(CCNS(=O)(=O)c2oc3ccccc3c2Br)cc1 ZINC001463377595 1068377180 /nfs/dbraw/zinc/37/71/80/1068377180.db2.gz WQTPMDATVWXMRR-UHFFFAOYSA-N 0 1 452.370 4.894 20 0 JJADMN COc1ccc([C@H](CNC(=O)c2cc3c(Br)cccc3cn2)N2CCCC2)cc1 ZINC001463566023 1068447433 /nfs/dbraw/zinc/44/74/33/1068447433.db2.gz PKRSVWZOBHRFGH-QFIPXVFZSA-N 0 1 454.368 4.573 20 0 JJADMN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC001463569016 1068449754 /nfs/dbraw/zinc/44/97/54/1068449754.db2.gz ALAGSTCNVFWFLE-UHFFFAOYSA-N 0 1 458.971 4.547 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)N1CCCC1 ZINC001463573771 1068451746 /nfs/dbraw/zinc/45/17/46/1068451746.db2.gz QURUTCMQUPGXDJ-NRFANRHFSA-N 0 1 455.649 4.598 20 0 JJADMN CSc1nc2ccc(NC(=O)c3cn[nH]c3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2s1 ZINC001463588726 1068458180 /nfs/dbraw/zinc/45/81/80/1068458180.db2.gz BYSZCUUOHUXOOA-LBPRGKRZSA-N 0 1 459.597 4.718 20 0 JJADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001463590929 1068458798 /nfs/dbraw/zinc/45/87/98/1068458798.db2.gz ANRBLFSNKGWTJT-RDJZCZTQSA-N 0 1 450.963 4.932 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC001463645751 1068479510 /nfs/dbraw/zinc/47/95/10/1068479510.db2.gz CQVYVEFBRPNTFU-FQEVSTJZSA-N 0 1 453.633 4.973 20 0 JJADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653489 1068482408 /nfs/dbraw/zinc/48/24/08/1068482408.db2.gz XYSJUJWKWBLYNF-GHMZBOCLSA-N 0 1 459.519 4.500 20 0 JJADMN C=Cc1ccc(CCNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC001463744592 1068510863 /nfs/dbraw/zinc/51/08/63/1068510863.db2.gz DUMGMTDJFPBGQJ-RRPNLBNLSA-N 0 1 464.606 4.599 20 0 JJADMN O=S(=O)(CCC1CCCCC1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001463758619 1068514936 /nfs/dbraw/zinc/51/49/36/1068514936.db2.gz JASGKJGTYNRSQA-AREMUKBSSA-N 0 1 455.668 4.848 20 0 JJADMN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001463839585 1068543699 /nfs/dbraw/zinc/54/36/99/1068543699.db2.gz XIMIPBIHHMEXRY-LEWJYISDSA-N 0 1 452.039 4.923 20 0 JJADMN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001463839588 1068543871 /nfs/dbraw/zinc/54/38/71/1068543871.db2.gz XIMIPBIHHMEXRY-NHCUHLMSSA-N 0 1 452.039 4.923 20 0 JJADMN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463840216 1068544064 /nfs/dbraw/zinc/54/40/64/1068544064.db2.gz PQGTUODSXQVAFE-FPOVZHCZSA-N 0 1 459.503 4.549 20 0 JJADMN Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001463848816 1068547028 /nfs/dbraw/zinc/54/70/28/1068547028.db2.gz VHLINAILPBPWDL-XZOQPEGZSA-N 0 1 458.986 4.734 20 0 JJADMN COc1ccc(CN2CCCN(C(=O)c3ccccc3Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC001463897784 1068558744 /nfs/dbraw/zinc/55/87/44/1068558744.db2.gz BUCMGZBOWVHUEK-UHFFFAOYSA-N 0 1 457.574 4.990 20 0 JJADMN COc1ccc(CN2CCCN(C(=O)c3ccc4ccc(Br)cc4c3)CC2)cc1 ZINC001463898979 1068559285 /nfs/dbraw/zinc/55/92/85/1068559285.db2.gz LIVCCANDGVDZQL-UHFFFAOYSA-N 0 1 453.380 4.959 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)COc1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001463914279 1068564108 /nfs/dbraw/zinc/56/41/08/1068564108.db2.gz KPZDORLBILGEQO-FQEVSTJZSA-N 0 1 453.808 4.989 20 0 JJADMN CCN(CC)[C@H](CNC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Cl ZINC001463917155 1068565559 /nfs/dbraw/zinc/56/55/59/1068565559.db2.gz OSUDMGQOGZFBLE-OAQYLSRUSA-N 0 1 450.023 4.796 20 0 JJADMN CC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccccc1F ZINC001463952298 1068573713 /nfs/dbraw/zinc/57/37/13/1068573713.db2.gz YNBQZMZXKQAIGX-OAHLLOKOSA-N 0 1 455.132 4.504 20 0 JJADMN CC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccccc1F ZINC001463952296 1068573822 /nfs/dbraw/zinc/57/38/22/1068573822.db2.gz YNBQZMZXKQAIGX-HNNXBMFYSA-N 0 1 455.132 4.504 20 0 JJADMN CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C(C)C)cc1 ZINC001463963160 1068576728 /nfs/dbraw/zinc/57/67/28/1068576728.db2.gz RESJUJKIZMSIHB-KOSHJBKYSA-N 0 1 458.624 4.817 20 0 JJADMN Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@@H](N(C)CCc4ccccc4)C3)cc2)c1 ZINC001464022193 1068591870 /nfs/dbraw/zinc/59/18/70/1068591870.db2.gz IDUFSACLKQYQJF-HSZRJFAPSA-N 0 1 450.604 4.725 20 0 JJADMN C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001464072180 1068605562 /nfs/dbraw/zinc/60/55/62/1068605562.db2.gz HZMYJSCVYZCUDR-AWEZNQCLSA-N 0 1 450.366 4.556 20 0 JJADMN CC[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)N1CCc2ccccc2C1 ZINC001464097198 1068614078 /nfs/dbraw/zinc/61/40/78/1068614078.db2.gz GNZBOLYENGTULG-FQEVSTJZSA-N 0 1 454.368 4.671 20 0 JJADMN CC[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)N1CCc2ccccc2C1 ZINC001464099832 1068615530 /nfs/dbraw/zinc/61/55/30/1068615530.db2.gz HSQJOQYYJAWLAM-OAQYLSRUSA-N 0 1 456.512 4.766 20 0 JJADMN Cc1cc(CCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1Br ZINC001464117896 1068620565 /nfs/dbraw/zinc/62/05/65/1068620565.db2.gz BIASMMACAWIXCJ-KDURUIRLSA-N 0 1 459.428 4.616 20 0 JJADMN COc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC1CCCC1 ZINC001464120263 1068621892 /nfs/dbraw/zinc/62/18/92/1068621892.db2.gz JVUNKDQJPVVNEM-BGYRXZFFSA-N 0 1 452.595 4.556 20 0 JJADMN Cc1ccc(CCC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(Br)c1 ZINC001464121664 1068622474 /nfs/dbraw/zinc/62/24/74/1068622474.db2.gz MVUSWLOBCBEGQO-OALUTQOASA-N 0 1 459.428 4.616 20 0 JJADMN CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)cc1Cl ZINC001464123577 1068623122 /nfs/dbraw/zinc/62/31/22/1068623122.db2.gz PZQDYMOIFDKWDH-UHFFFAOYSA-N 0 1 454.958 4.846 20 0 JJADMN CSc1nnc(CCCNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)n1CC(C)C ZINC001464128283 1068625941 /nfs/dbraw/zinc/62/59/41/1068625941.db2.gz JSZXCEICZPKCDD-UHFFFAOYSA-N 0 1 454.625 4.623 20 0 JJADMN CC[NH+](CC)CCOc1ccccc1NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001464200161 1068654287 /nfs/dbraw/zinc/65/42/87/1068654287.db2.gz PUCCOXMYTGKTMG-UHFFFAOYSA-N 0 1 458.356 4.676 20 0 JJADMN CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001464223524 1068664273 /nfs/dbraw/zinc/66/42/73/1068664273.db2.gz GEQDAZJYSHKAOI-UHFFFAOYSA-N 0 1 454.932 4.992 20 0 JJADMN COc1cccc(C(=O)CCCC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 ZINC001464247872 1068674797 /nfs/dbraw/zinc/67/47/97/1068674797.db2.gz BOJBROUPCIPQFN-UHFFFAOYSA-N 0 1 451.567 4.501 20 0 JJADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC001464251967 1068675956 /nfs/dbraw/zinc/67/59/56/1068675956.db2.gz RWBOGSYBZVFBEK-UHFFFAOYSA-N 0 1 451.592 4.572 20 0 JJADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278021 1068686909 /nfs/dbraw/zinc/68/69/09/1068686909.db2.gz WVYZQBBKVHPYBH-HFZDXXHNSA-N 0 1 456.652 4.835 20 0 JJADMN O=C(NCc1ccc(OCCOc2ccccc2)nc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC001464298204 1068696328 /nfs/dbraw/zinc/69/63/28/1068696328.db2.gz LWOYEPSJOLXTEE-UHFFFAOYSA-N 0 1 454.939 4.574 20 0 JJADMN CCC(CC)C(=O)N1CCC(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 ZINC001464322882 1068705757 /nfs/dbraw/zinc/70/57/57/1068705757.db2.gz WDNIKZJKCLUCOB-NRFANRHFSA-N 0 1 455.565 4.632 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)C1(c2ccccc2Br)CC1)N1CCCCC1 ZINC001464333034 1068709632 /nfs/dbraw/zinc/70/96/32/1068709632.db2.gz LRWMMKJAYASFBH-NRFANRHFSA-N 0 1 457.412 4.833 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)N1CCCCC1 ZINC001464334862 1068710031 /nfs/dbraw/zinc/71/00/31/1068710031.db2.gz OSIQMCCDVPKTPH-IRLDBZIGSA-N 0 1 450.501 4.745 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)[C@H](OC)c1ccccc1C(F)(F)F)N1CCCCC1 ZINC001464334874 1068710815 /nfs/dbraw/zinc/71/08/15/1068710815.db2.gz OSIQMCCDVPKTPH-RBBKRZOGSA-N 0 1 450.501 4.745 20 0 JJADMN CN(C)[C@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)c1ccc(F)cc1 ZINC001464344541 1068714136 /nfs/dbraw/zinc/71/41/36/1068714136.db2.gz YCWHPPQTZGXNDA-HXUWFJFHSA-N 0 1 458.331 4.808 20 0 JJADMN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(I)cc3O)sc2C1 ZINC001546147163 1068757911 /nfs/dbraw/zinc/75/79/11/1068757911.db2.gz KLHTVEGALRISLG-JTQLQIEISA-N 0 1 456.349 4.857 20 0 JJADMN O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1cc(Cl)c2ccccc2c1O ZINC001464474046 1068759473 /nfs/dbraw/zinc/75/94/73/1068759473.db2.gz FHLFVYUHAXENBI-UHFFFAOYSA-N 0 1 458.389 4.794 20 0 JJADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc2ccccc21 ZINC001464539524 1068776291 /nfs/dbraw/zinc/77/62/91/1068776291.db2.gz JTFIESIKTMHQGR-GOSISDBHSA-N 0 1 457.857 4.705 20 0 JJADMN CCN(CC)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccco1 ZINC001464549373 1068778917 /nfs/dbraw/zinc/77/89/17/1068778917.db2.gz HDILGQBKFJVSKO-XMMPIXPASA-N 0 1 458.562 4.954 20 0 JJADMN COc1c(F)cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cc1F ZINC001464585421 1068791993 /nfs/dbraw/zinc/79/19/93/1068791993.db2.gz SLARWCKRSDJPGH-CQSZACIVSA-N 0 1 450.212 4.862 20 0 JJADMN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC001464671540 1068819580 /nfs/dbraw/zinc/81/95/80/1068819580.db2.gz ASHPLOGNRMCMIF-OAHLLOKOSA-N 0 1 459.472 4.525 20 0 JJADMN CC(C)C[C@@H](CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)NC(=O)OC(C)(C)C ZINC001464673474 1068820556 /nfs/dbraw/zinc/82/05/56/1068820556.db2.gz IXTLFZMPUHMFKS-FQEVSTJZSA-N 0 1 455.603 4.507 20 0 JJADMN Cc1ccc([C@@H](CNC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)N2CCCC2)o1 ZINC001464681593 1068823123 /nfs/dbraw/zinc/82/31/23/1068823123.db2.gz HTGCHPZQSKBFIR-FGZHOGPDSA-N 0 1 453.583 4.723 20 0 JJADMN CC(C)(C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001464691899 1068827059 /nfs/dbraw/zinc/82/70/59/1068827059.db2.gz WFUMDCZXIWUUTQ-VQTJNVASSA-N 0 1 468.564 4.539 20 0 JJADMN COc1cc(CNC(=O)c2cc(Cl)c3ccccc3c2O)cc(Br)c1OC ZINC001464693648 1068827608 /nfs/dbraw/zinc/82/76/08/1068827608.db2.gz ITDSNYBEWGJULU-UHFFFAOYSA-N 0 1 450.716 4.909 20 0 JJADMN COc1cc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc(Br)c1OC ZINC001464699472 1068829386 /nfs/dbraw/zinc/82/93/86/1068829386.db2.gz XCKSGQFHQMEDKT-UHFFFAOYSA-N 0 1 456.749 4.501 20 0 JJADMN CCCCc1ccc(C(=O)CCC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC001464723745 1068839366 /nfs/dbraw/zinc/83/93/66/1068839366.db2.gz HGXGACZRSURJCJ-HXUWFJFHSA-N 0 1 453.602 4.760 20 0 JJADMN CN1CCN(c2cccc(N3CCC(O[C@@H](c4ccc(Cl)cc4)c4ccccn4)CC3)n2)CC1 ZINC001164622435 719130210 /nfs/dbraw/zinc/13/02/10/719130210.db2.gz OTUFMFUCKICERT-MHZLTWQESA-N 0 1 478.040 4.657 20 0 JJADMN CN(C)C(=O)CO[C@H]1CCC2(CCN(C(C)(C)c3ccnc(Cl)c3)CC2)c2ccccc21 ZINC001164634217 719140782 /nfs/dbraw/zinc/14/07/82/719140782.db2.gz UBKUBXYODCVNTJ-QFIPXVFZSA-N 0 1 456.030 4.944 20 0 JJADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CC2 ZINC001164691365 719755662 /nfs/dbraw/zinc/75/56/62/719755662.db2.gz NUPMECINDWDPIV-UHFFFAOYSA-N 0 1 499.993 4.676 20 0 JJADMN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164693919 719807381 /nfs/dbraw/zinc/80/73/81/719807381.db2.gz SFMUPSVBOXJDEO-UHFFFAOYSA-N 0 1 483.663 4.782 20 0 JJADMN Clc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc(Cc2ccccc2)n1 ZINC001164694991 719890884 /nfs/dbraw/zinc/89/08/84/719890884.db2.gz IWNCLQLJINYJAU-UHFFFAOYSA-N 0 1 455.027 4.654 20 0 JJADMN c1csc(CN2CCOC3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2)c1 ZINC001164696182 719897609 /nfs/dbraw/zinc/89/76/09/719897609.db2.gz ASPXVFPGADEMQK-UHFFFAOYSA-N 0 1 457.603 4.625 20 0 JJADMN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164729573 720561294 /nfs/dbraw/zinc/56/12/94/720561294.db2.gz QZAYUINPMYCABJ-UHFFFAOYSA-N 0 1 466.363 4.942 20 0 JJADMN Cc1nc2scc(-c3cccs3)c2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736795 720580527 /nfs/dbraw/zinc/58/05/27/720580527.db2.gz UOTZKKBFQWKXEQ-UHFFFAOYSA-N 0 1 450.637 4.583 20 0 JJADMN Clc1ccc(-c2cc3ncnc(N4CCc5ncc(CN6CCCC6)n5CC4)c3s2)cc1 ZINC001164736109 720581001 /nfs/dbraw/zinc/58/10/01/720581001.db2.gz CLLHKTKEACRFNC-UHFFFAOYSA-N 0 1 465.026 4.867 20 0 JJADMN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736081 720591300 /nfs/dbraw/zinc/59/13/00/720591300.db2.gz ATSXIJUOPFBKQF-UHFFFAOYSA-N 0 1 473.955 4.682 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)[C@@H]2C ZINC001164860696 721003584 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FZWTXJYIIGOZDG-GOTSBHOMSA-N 0 1 470.951 4.822 20 0 JJADMN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866826 721066297 /nfs/dbraw/zinc/06/62/97/721066297.db2.gz FZWTXJYIIGOZDG-DHIUTWEWSA-N 0 1 470.951 4.822 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@H]3C2)cn1 ZINC001164772787 721134573 /nfs/dbraw/zinc/13/45/73/721134573.db2.gz WXWGCZJSDGVWNQ-DNQXCXABSA-N 0 1 486.023 4.551 20 0 JJADMN Fc1ccccc1-c1cc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164881005 721168696 /nfs/dbraw/zinc/16/86/96/721168696.db2.gz YTTRMDRGJSPZHU-VQTJNVASSA-N 0 1 488.941 4.961 20 0 JJADMN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871404 721194895 /nfs/dbraw/zinc/19/48/95/721194895.db2.gz YXLYTYLUZWOWAW-RBUKOAKNSA-N 0 1 476.980 4.883 20 0 JJADMN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871406 721195958 /nfs/dbraw/zinc/19/59/58/721195958.db2.gz YXLYTYLUZWOWAW-RTBURBONSA-N 0 1 476.980 4.883 20 0 JJADMN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871402 721195991 /nfs/dbraw/zinc/19/59/91/721195991.db2.gz YXLYTYLUZWOWAW-OALUTQOASA-N 0 1 476.980 4.883 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001164764919 721225503 /nfs/dbraw/zinc/22/55/03/721225503.db2.gz HCELJHFAKCEHGK-ZWKOTPCHSA-N 0 1 475.946 4.778 20 0 JJADMN O=C(NC[C@H]1CCC[C@@]2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874152 721255841 /nfs/dbraw/zinc/25/58/41/721255841.db2.gz JHEKYKQPTHYERN-JOMNFKBKSA-N 0 1 496.655 4.588 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccc(Cl)cc43)C2)C1 ZINC001164777454 721331671 /nfs/dbraw/zinc/33/16/71/721331671.db2.gz NRJRLZHREFSYEH-HSZRJFAPSA-N 0 1 476.408 4.660 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164777859 721343045 /nfs/dbraw/zinc/34/30/45/721343045.db2.gz JJNYUURQFQDEGB-XMMPIXPASA-N 0 1 458.965 4.751 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164779776 721350918 /nfs/dbraw/zinc/35/09/18/721350918.db2.gz WJRMOPMZJZTHFJ-XMMPIXPASA-N 0 1 458.965 4.751 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164782246 721354877 /nfs/dbraw/zinc/35/48/77/721354877.db2.gz LODPPPRVDXXKEM-VWLOTQADSA-N 0 1 455.002 4.920 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164781619 721364268 /nfs/dbraw/zinc/36/42/68/721364268.db2.gz KBYYXASPIYEQPC-SANMLTNESA-N 0 1 453.631 4.557 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccc(F)c4n3)C2)C1 ZINC001164785381 721373658 /nfs/dbraw/zinc/37/36/58/721373658.db2.gz RWARZGFOJSRCOX-DEOSSOPVSA-N 0 1 458.965 4.751 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164781970 721374958 /nfs/dbraw/zinc/37/49/58/721374958.db2.gz LBHLSYBDTOBODK-XMMPIXPASA-N 0 1 458.965 4.751 20 0 JJADMN COc1cc2c(cc(Cl)nc2N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)cc1F ZINC001164779717 721377015 /nfs/dbraw/zinc/37/70/15/721377015.db2.gz CHNKMWAPMBZXRR-VWLOTQADSA-N 0 1 488.991 4.760 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890917 721408826 /nfs/dbraw/zinc/40/88/26/721408826.db2.gz UILZIDJKTXSIRE-FREGXXQWSA-N 0 1 483.660 4.576 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887241 721419957 /nfs/dbraw/zinc/41/99/57/721419957.db2.gz LPYPIHVUCSJMCO-LXFBAYGMSA-N 0 1 492.067 4.716 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898709 721444175 /nfs/dbraw/zinc/44/41/75/721444175.db2.gz WPFDZLONRIQFBS-FIBWVYCGSA-N 0 1 499.659 4.701 20 0 JJADMN COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)cc1 ZINC001164808360 721541351 /nfs/dbraw/zinc/54/13/51/721541351.db2.gz RPVSARCKAMMSMQ-QKDODKLFSA-N 0 1 499.590 4.708 20 0 JJADMN COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)cc1 ZINC001164808357 721541911 /nfs/dbraw/zinc/54/19/11/721541911.db2.gz RPVSARCKAMMSMQ-GMQQYTKMSA-N 0 1 499.590 4.708 20 0 JJADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CCN3C2)c1 ZINC001164905949 721561523 /nfs/dbraw/zinc/56/15/23/721561523.db2.gz IEDRGGGXDDDLAN-FPOVZHCZSA-N 0 1 474.914 4.823 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164810786 721577447 /nfs/dbraw/zinc/57/74/47/721577447.db2.gz WEIVLNVKZTZMKV-JIMJEQGWSA-N 0 1 469.564 4.699 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164804122 721585914 /nfs/dbraw/zinc/58/59/14/721585914.db2.gz IXPVHWBNIXLIRU-MIZPHKNDSA-N 0 1 482.053 4.610 20 0 JJADMN Fc1cccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)c1 ZINC001164906582 721714784 /nfs/dbraw/zinc/71/47/84/721714784.db2.gz NAKMLWDLZDUEST-QFIPXVFZSA-N 0 1 490.917 4.589 20 0 JJADMN FC(F)(N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164909148 721737532 /nfs/dbraw/zinc/73/75/32/721737532.db2.gz CLOVEEBMMZOHJE-HXUWFJFHSA-N 0 1 468.926 4.988 20 0 JJADMN CCOC(=O)c1ccc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c(Cl)n1 ZINC001165013965 721767557 /nfs/dbraw/zinc/76/75/57/721767557.db2.gz CDVRWOYJXHASFK-UHFFFAOYSA-N 0 1 472.879 4.968 20 0 JJADMN c1cc(-c2ccc3c(C4CN(c5ncnc6c5CCN(Cc5ccccc5)C6)C4)ncn3c2)co1 ZINC001165013961 721767762 /nfs/dbraw/zinc/76/77/62/721767762.db2.gz BVCMYOZMKNRFCY-UHFFFAOYSA-N 0 1 462.557 4.546 20 0 JJADMN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015593 721767769 /nfs/dbraw/zinc/76/77/69/721767769.db2.gz SHHCJMQATZDIHZ-UHFFFAOYSA-N 0 1 458.852 4.578 20 0 JJADMN CN(C(C)(C)C)C(F)(F)c1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC001165021778 721833858 /nfs/dbraw/zinc/83/38/58/721833858.db2.gz LGZWQLVNMSTNDD-UHFFFAOYSA-N 0 1 454.930 4.864 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cnc(Cl)nc4Cl)CC3)C2)cc1 ZINC001164938176 721921090 /nfs/dbraw/zinc/92/10/90/721921090.db2.gz IYYBYOOPSYCWOC-UHFFFAOYSA-N 0 1 457.352 4.508 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)CC3)C2)cc1 ZINC001164937336 721921818 /nfs/dbraw/zinc/92/18/18/721921818.db2.gz CEHNZHBMNJHZSQ-UHFFFAOYSA-N 0 1 457.352 4.508 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(NC(=O)OC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164938615 721930635 /nfs/dbraw/zinc/93/06/35/721930635.db2.gz AVSKJIJDTRWHTN-UHFFFAOYSA-N 0 1 452.599 4.608 20 0 JJADMN c1sc2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1-c1ccccc1 ZINC001164958966 722054357 /nfs/dbraw/zinc/05/43/57/722054357.db2.gz IHCAIJHZGLGTMT-UHFFFAOYSA-N 0 1 471.630 4.872 20 0 JJADMN Fc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164963724 722062155 /nfs/dbraw/zinc/06/21/55/722062155.db2.gz CKNCZGKAQKNPSW-UHFFFAOYSA-N 0 1 483.975 4.575 20 0 JJADMN CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 ZINC001164965156 722062572 /nfs/dbraw/zinc/06/25/72/722062572.db2.gz JDFDCHAZQDNTJV-UHFFFAOYSA-N 0 1 494.039 4.999 20 0 JJADMN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164975851 722091228 /nfs/dbraw/zinc/09/12/28/722091228.db2.gz RAMRQUDKEXXJSA-XMMPIXPASA-N 0 1 458.650 4.553 20 0 JJADMN c1ccc(CN2CCc3nc(N4CCC[C@@]5(C[C@@H](OCC6CCCC6)CO5)C4)ccc3C2)cc1 ZINC001164976749 722164578 /nfs/dbraw/zinc/16/45/78/722164578.db2.gz CVSMJZYNSCLKPF-GGXMVOPNSA-N 0 1 461.650 4.975 20 0 JJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc4c2ncn4[C@H]2CCCCO2)C3)c1 ZINC001164993936 722198903 /nfs/dbraw/zinc/19/89/03/722198903.db2.gz JMHDHNNXUOJGKE-NTKDMRAZSA-N 0 1 470.980 4.563 20 0 JJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4[C@H]2CCCCO2)C3)c1 ZINC001164993935 722199048 /nfs/dbraw/zinc/19/90/48/722199048.db2.gz JMHDHNNXUOJGKE-DVECYGJZSA-N 0 1 470.980 4.563 20 0 JJADMN Fc1ccc(Oc2nc(Cl)nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164995016 722203528 /nfs/dbraw/zinc/20/35/28/722203528.db2.gz KLCCSDSQVHPCDX-HSZRJFAPSA-N 0 1 457.912 4.840 20 0 JJADMN CC(C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1C[C@H](c1ccco1)N(C)C ZINC001359723221 1064270326 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DSSFQPVZOKGQHV-OAQYLSRUSA-N 0 1 459.937 4.933 20 0 JJADMN Cc1cc(C)c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cc1I ZINC001434870379 1064307071 /nfs/dbraw/zinc/30/70/71/1064307071.db2.gz STPZXKBHJPYDJR-UHFFFAOYSA-N 0 1 452.683 4.599 20 0 JJADMN O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1CCN(CC2CCCCC2)CC1 ZINC001434914463 1064341284 /nfs/dbraw/zinc/34/12/84/1064341284.db2.gz BJZVWVGBLUQIFT-UHFFFAOYSA-N 0 1 458.400 4.975 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2coc(-c3ccccc3Cl)n2)CC1 ZINC001434918444 1064345626 /nfs/dbraw/zinc/34/56/26/1064345626.db2.gz FSQSSEFELPPVAH-MRXNPFEDSA-N 0 1 456.949 4.767 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(-n3cccc3)ccc2Cl)CC1 ZINC001434920664 1064347856 /nfs/dbraw/zinc/34/78/56/1064347856.db2.gz NUCXHOFADVCBKK-GOSISDBHSA-N 0 1 454.977 4.903 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC001434922185 1064350688 /nfs/dbraw/zinc/35/06/88/1064350688.db2.gz RKVCVCLPTQGYJF-OAHLLOKOSA-N 0 1 454.373 4.531 20 0 JJADMN 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/nfs/dbraw/zinc/02/60/33/1065026033.db2.gz HEMVCMXORFDOGT-HSZRJFAPSA-N 0 1 453.537 4.508 20 0 JJADMN COc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1OC(F)F ZINC001435855654 1065026714 /nfs/dbraw/zinc/02/67/14/1065026714.db2.gz MMZGLDOLABMUGQ-FQEVSTJZSA-N 0 1 454.464 4.920 20 0 JJADMN CC(C)([C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001435855678 1065026919 /nfs/dbraw/zinc/02/69/19/1065026919.db2.gz NAACFUACHCRDJS-HSZRJFAPSA-N 0 1 459.562 4.823 20 0 JJADMN CC(C)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCSC(F)(F)F)CC1 ZINC001360149189 1065052545 /nfs/dbraw/zinc/05/25/45/1065052545.db2.gz FHGDERBTECAHET-UHFFFAOYSA-N 0 1 496.372 4.630 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001545894056 1065054581 /nfs/dbraw/zinc/05/45/81/1065054581.db2.gz NKRCCMNHTMCAQP-DEOSSOPVSA-N 0 1 496.700 4.669 20 0 JJADMN CC(C)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001360153075 1065056189 /nfs/dbraw/zinc/05/61/89/1065056189.db2.gz DWDCKLYBICBDQK-MHZLTWQESA-N 0 1 497.709 4.654 20 0 JJADMN CC(C)N1CCN(c2nnc(CCc3ccccc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360153285 1065056518 /nfs/dbraw/zinc/05/65/18/1065056518.db2.gz NKVYACYWWGOXDV-UHFFFAOYSA-N 0 1 453.675 4.578 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001545894314 1065071177 /nfs/dbraw/zinc/07/11/77/1065071177.db2.gz UFUHSIZEJGSHMB-FQEVSTJZSA-N 0 1 472.703 4.722 20 0 JJADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(I)cn2)c1 ZINC001360220780 1065086121 /nfs/dbraw/zinc/08/61/21/1065086121.db2.gz TVNHIRCYHNGPTJ-UHFFFAOYSA-N 0 1 457.315 4.571 20 0 JJADMN COc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1-c1ccccn1 ZINC001360247797 1065097624 /nfs/dbraw/zinc/09/76/24/1065097624.db2.gz BTICOQSFRYUKEZ-UHFFFAOYSA-N 0 1 458.562 4.824 20 0 JJADMN CC[C@H](C)n1c(SCC(=O)Nc2ccc(-c3nnc[nH]3)cc2F)nnc1-c1ccccc1 ZINC001436089521 1065172870 /nfs/dbraw/zinc/17/28/70/1065172870.db2.gz OGISYHOGVPYDFR-AWEZNQCLSA-N 0 1 451.531 4.571 20 0 JJADMN CC(C)Oc1ccccc1Cn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001360362794 1065218737 /nfs/dbraw/zinc/21/87/37/1065218737.db2.gz XFJDEHYKCXPNMR-WIOPSUGQSA-N 0 1 493.700 4.664 20 0 JJADMN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC001436164577 1065224478 /nfs/dbraw/zinc/22/44/78/1065224478.db2.gz LULPRBVOOMOVET-RUZDIDTESA-N 0 1 451.611 4.792 20 0 JJADMN CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](c2ccco2)N(C)C)CCO1 ZINC001360371027 1065231028 /nfs/dbraw/zinc/23/10/28/1065231028.db2.gz WVCVPFWWLVFRSK-RPWUZVMVSA-N 0 1 495.668 4.769 20 0 JJADMN CCN(CC)[C@H](C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC001436210082 1065253238 /nfs/dbraw/zinc/25/32/38/1065253238.db2.gz UCPZDQSUVHOYPJ-RPWUZVMVSA-N 0 1 451.611 4.720 20 0 JJADMN CC(C)OCCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)c2ccccn2)CC1 ZINC001360409255 1065272586 /nfs/dbraw/zinc/27/25/86/1065272586.db2.gz BFJDITHBYRRYGD-UHFFFAOYSA-N 0 1 483.060 4.518 20 0 JJADMN CCSCc1ccccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC001360409133 1065272608 /nfs/dbraw/zinc/27/26/08/1065272608.db2.gz XRELBIFTFOMSCG-UHFFFAOYSA-N 0 1 451.558 4.640 20 0 JJADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001360411507 1065275287 /nfs/dbraw/zinc/27/52/87/1065275287.db2.gz BTJHZZVDNFULMB-OAQYLSRUSA-N 0 1 451.567 4.842 20 0 JJADMN CCOC(=O)c1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001436447596 1065321560 /nfs/dbraw/zinc/32/15/60/1065321560.db2.gz VGRNKLVPRUJJJE-SANMLTNESA-N 0 1 457.574 4.565 20 0 JJADMN CCCc1noc2nc(-c3ccco3)cc(C(=O)NC3(C(F)(F)F)CCN(CC)CC3)c12 ZINC001436465360 1065324955 /nfs/dbraw/zinc/32/49/55/1065324955.db2.gz OGFMUVXZHWZODD-UHFFFAOYSA-N 0 1 450.461 4.582 20 0 JJADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)N(C)C ZINC001360442965 1065328633 /nfs/dbraw/zinc/32/86/33/1065328633.db2.gz VZMATBUURKXSRP-MVJGVESJSA-N 0 1 497.690 4.761 20 0 JJADMN C[C@H](c1ccco1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001360461558 1065368443 /nfs/dbraw/zinc/36/84/43/1065368443.db2.gz XINWJSNJFFCJPN-YLJYHZDGSA-N 0 1 496.612 4.502 20 0 JJADMN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)N(C)C ZINC001360502969 1065430816 /nfs/dbraw/zinc/43/08/16/1065430816.db2.gz GMLMITLCYWAJHZ-XXBNENTESA-N 0 1 451.615 4.995 20 0 JJADMN O=C(Nc1nnc(-c2cccc(Br)c2)s1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001360503663 1065432273 /nfs/dbraw/zinc/43/22/73/1065432273.db2.gz MZJYSPPOCYXHIB-RYUDHWBXSA-N 0 1 450.280 4.654 20 0 JJADMN CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)c1nccs1)N1CCOCC1 ZINC001360520678 1065494006 /nfs/dbraw/zinc/49/40/06/1065494006.db2.gz KXZBZEHPHPEOMZ-NQIIRXRSSA-N 0 1 489.089 4.652 20 0 JJADMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001437320155 1065536924 /nfs/dbraw/zinc/53/69/24/1065536924.db2.gz RJVJBWGDIDQDBP-XEBLDREYSA-N 0 1 457.659 4.970 20 0 JJADMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC001437319402 1065537210 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SQBYCERIOIVNLT-UHFFFAOYSA-N 0 1 452.646 4.695 20 0 JJADMN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001360610284 1065643873 /nfs/dbraw/zinc/64/38/73/1065643873.db2.gz GKWOZRDNHMBBHW-YADHBBJMSA-N 0 1 498.716 4.738 20 0 JJADMN C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)CCOCC1 ZINC001438138025 1065677905 /nfs/dbraw/zinc/67/79/05/1065677905.db2.gz RQMKVMCQJYVJHZ-NSHDSACASA-N 0 1 457.358 4.518 20 0 JJADMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC001360631233 1065680851 /nfs/dbraw/zinc/68/08/51/1065680851.db2.gz LXUDEJRXPOTVSB-RLWLMLJZSA-N 0 1 456.590 4.874 20 0 JJADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001438247672 1065701849 /nfs/dbraw/zinc/70/18/49/1065701849.db2.gz FOGYIJSNWPILNL-NRFANRHFSA-N 0 1 450.410 4.641 20 0 JJADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001360641674 1065714330 /nfs/dbraw/zinc/71/43/30/1065714330.db2.gz LMIGZQQOOZQAPE-UTKZUKDTSA-N 0 1 488.702 4.650 20 0 JJADMN COc1ccc(Cc2nc3ccc(NC(=O)c4cc(Br)cnc4F)cc3[nH]2)cc1 ZINC001438857426 1065759053 /nfs/dbraw/zinc/75/90/53/1065759053.db2.gz XMKHWCJJYAUYGP-UHFFFAOYSA-N 0 1 455.287 4.711 20 0 JJADMN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001438988232 1065774372 /nfs/dbraw/zinc/77/43/72/1065774372.db2.gz WGQKZXDNUHYBRR-IBGZPJMESA-N 0 1 458.628 4.925 20 0 JJADMN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCN1CC=CCC1 ZINC001360743804 1065780643 /nfs/dbraw/zinc/78/06/43/1065780643.db2.gz JRUWKIHQDBRHTG-HXUWFJFHSA-N 0 1 471.621 4.603 20 0 JJADMN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc2cccc(Br)c2[nH]1 ZINC001439193372 1065796423 /nfs/dbraw/zinc/79/64/23/1065796423.db2.gz RVOLBQRPLZYVAR-UHFFFAOYSA-N 0 1 452.308 4.922 20 0 JJADMN C[C@H]1[C@@H](C(=O)Nc2ccc(CN3CCCC3)c(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001439227878 1065802451 /nfs/dbraw/zinc/80/24/51/1065802451.db2.gz ZOZFQDYSQMVSMH-YJBOKZPZSA-N 0 1 455.521 4.885 20 0 JJADMN 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C[C@@H]1CCN(C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F ZINC001440199379 1065923033 /nfs/dbraw/zinc/92/30/33/1065923033.db2.gz LBTOSWHVASXRAL-VMDGZTHMSA-N 0 1 472.866 4.515 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2cccc(NCc3nc(C)cs3)c2)N2CCCC2)c1 ZINC001440365449 1065933147 /nfs/dbraw/zinc/93/31/47/1065933147.db2.gz ABFYUNHDJNFXLY-QHCPKHFHSA-N 0 1 450.608 4.639 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)N2CCCC2)c1 ZINC001440372395 1065933588 /nfs/dbraw/zinc/93/35/88/1065933588.db2.gz MUUUXOBOSGSTNK-OAQYLSRUSA-N 0 1 458.534 4.740 20 0 JJADMN Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384542 1065936117 /nfs/dbraw/zinc/93/61/17/1065936117.db2.gz KBCUKYQULLNIMO-JXFKEZNVSA-N 0 1 450.004 4.508 20 0 JJADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001440386986 1065936731 /nfs/dbraw/zinc/93/67/31/1065936731.db2.gz NZGIGYGBURVTFH-UHFFFAOYSA-N 0 1 452.580 4.511 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1cc2c(ccc(Br)c2C)[nH]1)N1CCCC1 ZINC001440393939 1065938032 /nfs/dbraw/zinc/93/80/32/1065938032.db2.gz WVOHZMHBVIQAAB-OAQYLSRUSA-N 0 1 456.384 4.814 20 0 JJADMN CCCc1ccccc1C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001440595363 1065953166 /nfs/dbraw/zinc/95/31/66/1065953166.db2.gz LPBQXTOBMVISRH-UHFFFAOYSA-N 0 1 454.548 4.709 20 0 JJADMN C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC001440649063 1065958615 /nfs/dbraw/zinc/95/86/15/1065958615.db2.gz VFKQZVOUDJXGQC-YXGXFIALSA-N 0 1 463.622 4.543 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC001440677005 1065962889 /nfs/dbraw/zinc/96/28/89/1065962889.db2.gz ARXUMFGLZQIVDG-UHFFFAOYSA-N 0 1 459.974 4.787 20 0 JJADMN CO[C@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Br)s1 ZINC001440677238 1065964004 /nfs/dbraw/zinc/96/40/04/1065964004.db2.gz DBSXPVHZHICDHL-SFHVURJKSA-N 0 1 457.821 4.632 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@@H](c2ccco2)N(C)C)o1 ZINC001360851695 1065965508 /nfs/dbraw/zinc/96/55/08/1065965508.db2.gz PMIYITSUAUYLBJ-KRWDZBQOSA-N 0 1 460.376 4.621 20 0 JJADMN CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001360851662 1065965685 /nfs/dbraw/zinc/96/56/85/1065965685.db2.gz PAPMMYWQYIZTHX-IBGZPJMESA-N 0 1 474.378 4.859 20 0 JJADMN CC1=C(Br)CN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001360854391 1065973538 /nfs/dbraw/zinc/97/35/38/1065973538.db2.gz VSUZYNYNPFNVBN-FQEVSTJZSA-N 0 1 488.405 4.783 20 0 JJADMN CCc1ccccc1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001440753495 1065976294 /nfs/dbraw/zinc/97/62/94/1065976294.db2.gz IXCLNPANWXMVBQ-UHFFFAOYSA-N 0 1 458.967 4.893 20 0 JJADMN C[C@@H]1CN(CCCNC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)C[C@H](C)O1 ZINC001440830352 1065982455 /nfs/dbraw/zinc/98/24/55/1065982455.db2.gz TVEGAAOFNPXZRN-JKSBSHDWSA-N 0 1 451.394 4.729 20 0 JJADMN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](c2ccco2)N2CCCCC2)c1C ZINC001360864998 1065983781 /nfs/dbraw/zinc/98/37/81/1065983781.db2.gz NZNMOOCSJHXLCQ-XMMPIXPASA-N 0 1 492.668 4.989 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1C ZINC001360869534 1065998060 /nfs/dbraw/zinc/99/80/60/1065998060.db2.gz ICSINBDBAGJYOT-OVSMBABESA-N 0 1 483.701 4.874 20 0 JJADMN Cc1ccc(N2C(=O)C[C@H](C(=O)NC[C@@H](c3ccsc3)N(C)C)[C@@H]2c2cccs2)cc1 ZINC001441003456 1065999381 /nfs/dbraw/zinc/99/93/81/1065999381.db2.gz FZOHVTLACKMYAY-SXWKCWPCSA-N 0 1 453.633 4.631 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)C)C3)n2CCCCN2CCOCC2)c1C ZINC001360870221 1066001713 /nfs/dbraw/zinc/00/17/13/1066001713.db2.gz NPXRODRCCSQVEX-DNQXCXABSA-N 0 1 469.674 4.630 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cc1 ZINC001441178552 1066012133 /nfs/dbraw/zinc/01/21/33/1066012133.db2.gz QFJVKMQGPIARNI-IBGZPJMESA-N 0 1 452.576 4.946 20 0 JJADMN O=C(CSc1cccc2cccc(Cl)c21)NCCCN1CCN(c2ccccc2)CC1 ZINC001441193317 1066014754 /nfs/dbraw/zinc/01/47/54/1066014754.db2.gz CNLRETKELZNJAT-UHFFFAOYSA-N 0 1 454.039 4.914 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC4CC4)CC3)n2CCSC(C)C)c1C ZINC001360877343 1066022429 /nfs/dbraw/zinc/02/24/29/1066022429.db2.gz KIOVOGOFUCWZAZ-NRFANRHFSA-N 0 1 457.688 4.709 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2Cc2ccc(Cl)nc2)c1C ZINC001360877186 1066022609 /nfs/dbraw/zinc/02/26/09/1066022609.db2.gz JNWCHDGQWPFBOO-HXUWFJFHSA-N 0 1 469.033 4.662 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2C[C@H]2CCO[C@H]2C(C)C)c1C ZINC001360878063 1066025014 /nfs/dbraw/zinc/02/50/14/1066025014.db2.gz QVJBKBYNKKFUQU-OYRHQHFDSA-N 0 1 469.674 4.626 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)C)CC3)n2CCSCC(C)C)c1C ZINC001360878426 1066025823 /nfs/dbraw/zinc/02/58/23/1066025823.db2.gz VDQXCGAEBAROKU-JOCHJYFZSA-N 0 1 459.704 4.955 20 0 JJADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cc(OCc4ccccc4)cs3)cc2)C[C@H](C)O1 ZINC001441317357 1066026739 /nfs/dbraw/zinc/02/67/39/1066026739.db2.gz GCTXAYQUDAFWBV-PMACEKPBSA-N 0 1 450.604 4.866 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@@H]3C)n2C[C@@H](c2ccsc2)N(C)C)c1C ZINC001360879070 1066028532 /nfs/dbraw/zinc/02/85/32/1066028532.db2.gz FRMFEBAVKZAQGW-DWLFOUALSA-N 0 1 469.655 4.624 20 0 JJADMN Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)CCC2=O)cc1C ZINC001441340921 1066030268 /nfs/dbraw/zinc/03/02/68/1066030268.db2.gz IYVDWFJARSZPBZ-URXFXBBRSA-N 0 1 454.014 4.653 20 0 JJADMN CC[C@]1(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441343503 1066030952 /nfs/dbraw/zinc/03/09/52/1066030952.db2.gz RAEUWVMKMUHOLN-YKSBVNFPSA-N 0 1 450.023 4.630 20 0 JJADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ncc(Cc2ccccc2)o1 ZINC001441548456 1066050106 /nfs/dbraw/zinc/05/01/06/1066050106.db2.gz OQHMQXHJBPEJCO-UHFFFAOYSA-N 0 1 457.508 4.519 20 0 JJADMN Cc1nc(CCn2c(-c3ccccc3Br)nnc2N2CCN(C(C)C)CC2)sc1C ZINC001360898374 1066051162 /nfs/dbraw/zinc/05/11/62/1066051162.db2.gz PXMWTVLJWYPQEW-UHFFFAOYSA-N 0 1 489.487 4.554 20 0 JJADMN Cc1nc(CCn2c(CC(C)C)nnc2N2CCCN(Cc3ccc(F)cc3)CC2)sc1C ZINC001360899677 1066053144 /nfs/dbraw/zinc/05/31/44/1066053144.db2.gz QUNVHTZAAQDGSY-UHFFFAOYSA-N 0 1 470.662 4.644 20 0 JJADMN COc1cccc(Oc2ccc(CNC(=O)[C@@H](C)N3CCC(Cc4ccccc4)CC3)cn2)c1 ZINC001441666311 1066059065 /nfs/dbraw/zinc/05/90/65/1066059065.db2.gz CYULAJXPLVYCEX-OAQYLSRUSA-N 0 1 459.590 4.842 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3nc(C)c(Cc4ccc(F)cc4)s3)[nH]n2)c(OC)c1 ZINC001441781629 1066069344 /nfs/dbraw/zinc/06/93/44/1066069344.db2.gz HJFILMQWCRCUMX-UHFFFAOYSA-N 0 1 452.511 4.841 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)Cc1ccccc1OCc1ccncc1)N1CCCCC1 ZINC001441880140 1066076742 /nfs/dbraw/zinc/07/67/42/1066076742.db2.gz FACLGPVGQCTYCY-VWLOTQADSA-N 0 1 459.590 4.555 20 0 JJADMN Cc1ncsc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)C)CC1 ZINC001360920609 1066077264 /nfs/dbraw/zinc/07/72/64/1066077264.db2.gz ZALWHKVWGFQVNH-UHFFFAOYSA-N 0 1 465.454 4.790 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001360928947 1066084688 /nfs/dbraw/zinc/08/46/88/1066084688.db2.gz SEFXXTLIISDWQW-BJKOFHAPSA-N 0 1 451.611 4.938 20 0 JJADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC001442102059 1066093250 /nfs/dbraw/zinc/09/32/50/1066093250.db2.gz BKDJTJREDVMSCZ-AWEZNQCLSA-N 0 1 452.761 4.768 20 0 JJADMN Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)N(C)C ZINC001360935556 1066095224 /nfs/dbraw/zinc/09/52/24/1066095224.db2.gz OVWBHLCYMAIRJR-SFHVURJKSA-N 0 1 457.003 4.896 20 0 JJADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001442379068 1066121354 /nfs/dbraw/zinc/12/13/54/1066121354.db2.gz VNZALDCZKVHCOS-QGZVFWFLSA-N 0 1 455.967 4.606 20 0 JJADMN Cc1ccccc1N1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)CC1 ZINC001442407175 1066125769 /nfs/dbraw/zinc/12/57/69/1066125769.db2.gz OQIYXYWDVKWQLN-UHFFFAOYSA-N 0 1 455.967 4.630 20 0 JJADMN COc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)ccc1OCc1cscn1 ZINC001360978580 1066136701 /nfs/dbraw/zinc/13/67/01/1066136701.db2.gz XQRAFNRODCKOTG-UHFFFAOYSA-N 0 1 459.325 4.622 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)(C(F)(F)F)C1 ZINC001442568044 1066139051 /nfs/dbraw/zinc/13/90/51/1066139051.db2.gz KJLBXDNRWAVJBS-OAQYLSRUSA-N 0 1 452.477 4.958 20 0 JJADMN CN1CCN(c2ncccc2CNC(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1 ZINC001442573000 1066139599 /nfs/dbraw/zinc/13/95/99/1066139599.db2.gz QDRGFRVNSFXCJF-UHFFFAOYSA-N 0 1 453.011 4.568 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC001360983180 1066143094 /nfs/dbraw/zinc/14/30/94/1066143094.db2.gz ICQRBRACOZEPKB-UHFFFAOYSA-N 0 1 458.484 4.656 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC001442619997 1066145897 /nfs/dbraw/zinc/14/58/97/1066145897.db2.gz QALFYSXQJDGNKN-RCZSKKKRSA-N 0 1 458.624 4.934 20 0 JJADMN CC[C@H](Cn1c(C(C)C)nnc1N1CCN(CCc2cccs2)CC1)Oc1ccccc1F ZINC001545950499 1066146293 /nfs/dbraw/zinc/14/62/93/1066146293.db2.gz QTMKSJYKFCRRGP-HXUWFJFHSA-N 0 1 471.646 4.824 20 0 JJADMN CCc1nc2ccc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)cc2nc1CC ZINC001442726844 1066155763 /nfs/dbraw/zinc/15/57/63/1066155763.db2.gz RIHJRVJTNMKIOR-UHFFFAOYSA-N 0 1 451.328 4.555 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1C[C@H](c1ccco1)N(C)C ZINC001360986957 1066155982 /nfs/dbraw/zinc/15/59/82/1066155982.db2.gz QCBYWSNUYFBGDT-HMXCVIKNSA-N 0 1 488.032 4.809 20 0 JJADMN C[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc(Br)c1 ZINC001442730378 1066156054 /nfs/dbraw/zinc/15/60/54/1066156054.db2.gz YOWKYLVLDVANPG-SNVBAGLBSA-N 0 1 450.134 4.739 20 0 JJADMN CC1(C)CN(C(=O)c2n[nH]c3ccc(Br)cc32)C(C)(C)CN1Cc1ccccc1 ZINC001454114018 1066246956 /nfs/dbraw/zinc/24/69/56/1066246956.db2.gz CUUGSBSKNGFXNQ-UHFFFAOYSA-N 0 1 455.400 4.841 20 0 JJADMN CCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)C=Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC001454205565 1066254093 /nfs/dbraw/zinc/25/40/93/1066254093.db2.gz PMBDLPNGIZZHAL-HQPKTYMTSA-N 0 1 455.967 4.998 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1n[nH]c(-c2ccccc2)n1)CC1CCCCC1 ZINC001443019435 1066254733 /nfs/dbraw/zinc/25/47/33/1066254733.db2.gz TWIRVNSHGIUKEE-HXUWFJFHSA-N 0 1 455.603 4.732 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1nc(-c2ccccc2)n[nH]1)CC1CCCCC1 ZINC001443019435 1066254748 /nfs/dbraw/zinc/25/47/48/1066254748.db2.gz TWIRVNSHGIUKEE-HXUWFJFHSA-N 0 1 455.603 4.732 20 0 JJADMN Cc1cc(C)cc(OCCn2c(CC(C)(C)C)nnc2N2CCN(CCc3cccs3)CC2)c1 ZINC001361041966 1066264950 /nfs/dbraw/zinc/26/49/50/1066264950.db2.gz OVBBRDVWZUFITJ-UHFFFAOYSA-N 0 1 481.710 4.989 20 0 JJADMN Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2)c1 ZINC001443093292 1066266149 /nfs/dbraw/zinc/26/61/49/1066266149.db2.gz AOWQAZCXRWQXQX-HSZRJFAPSA-N 0 1 457.618 4.812 20 0 JJADMN O=C(Nc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001454324796 1066269673 /nfs/dbraw/zinc/26/96/73/1066269673.db2.gz CEMLISOBJSQEGS-GIJQJNRQSA-N 0 1 452.301 4.674 20 0 JJADMN CC[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546061583 1066282094 /nfs/dbraw/zinc/28/20/94/1066282094.db2.gz BZILEZGXMLIHRI-XCBFCAQUSA-N 0 1 473.637 4.683 20 0 JJADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC001361049891 1066283759 /nfs/dbraw/zinc/28/37/59/1066283759.db2.gz DBMOVXWUIYDLIB-UHFFFAOYSA-N 0 1 459.333 4.594 20 0 JJADMN O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001443352369 1066298524 /nfs/dbraw/zinc/29/85/24/1066298524.db2.gz CMRQMZWRSKMMEW-HXUWFJFHSA-N 0 1 459.377 4.669 20 0 JJADMN O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001443352369 1066298539 /nfs/dbraw/zinc/29/85/39/1066298539.db2.gz CMRQMZWRSKMMEW-HXUWFJFHSA-N 0 1 459.377 4.669 20 0 JJADMN CN(C)C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1ccc(Cl)c(Cl)c1 ZINC001454573391 1066303230 /nfs/dbraw/zinc/30/32/30/1066303230.db2.gz CSNLJFFOYFCWSK-KRWDZBQOSA-N 0 1 456.370 4.644 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)C1 ZINC001443387920 1066304647 /nfs/dbraw/zinc/30/46/47/1066304647.db2.gz QGWMIGJEWDMSSY-QZTJIDSGSA-N 0 1 455.603 4.571 20 0 JJADMN CN1CCN(C(C)(C)CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1 ZINC001443417810 1066308951 /nfs/dbraw/zinc/30/89/51/1066308951.db2.gz GJGXMXOFILJSIF-UHFFFAOYSA-N 0 1 455.599 4.620 20 0 JJADMN Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCC(F)F)cc(N2CCCC2)n1 ZINC001361078489 1066318305 /nfs/dbraw/zinc/31/83/05/1066318305.db2.gz VFRJWLWNUUDLSB-UHFFFAOYSA-N 0 1 476.522 4.590 20 0 JJADMN CCc1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)[nH]nc1-c1ccc(Br)cc1 ZINC001443499138 1066319715 /nfs/dbraw/zinc/31/97/15/1066319715.db2.gz NARIWEHREGZKKX-MRXNPFEDSA-N 0 1 457.303 4.605 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)[nH]n2)cc1OC ZINC001454708070 1066323230 /nfs/dbraw/zinc/32/32/30/1066323230.db2.gz MRTODWLSYQXCFU-AZUAARDMSA-N 0 1 478.549 4.727 20 0 JJADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC001443534378 1066325635 /nfs/dbraw/zinc/32/56/35/1066325635.db2.gz AZHJYGVISHJRSG-KRWDZBQOSA-N 0 1 456.618 4.535 20 0 JJADMN CC1(C)CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001443547603 1066327591 /nfs/dbraw/zinc/32/75/91/1066327591.db2.gz GFFIBTWNXUONSS-MHZLTWQESA-N 0 1 458.602 4.812 20 0 JJADMN C[C@H](C(=O)NCc1cc(F)c(Br)cc1F)N1CCC(Cc2ccccc2)CC1 ZINC001454741252 1066330127 /nfs/dbraw/zinc/33/01/27/1066330127.db2.gz ZOHVCFQBWYSTKC-OAHLLOKOSA-N 0 1 451.355 4.687 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC001443603177 1066335848 /nfs/dbraw/zinc/33/58/48/1066335848.db2.gz WHGNKPGOKIJYIP-XMMPIXPASA-N 0 1 450.560 4.767 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN1CCSCC1 ZINC001361089662 1066337418 /nfs/dbraw/zinc/33/74/18/1066337418.db2.gz ZFVKOYRZRLGPIR-PZJWPPBQSA-N 0 1 492.133 4.783 20 0 JJADMN CC(C)[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CCN1C ZINC001454891319 1066339366 /nfs/dbraw/zinc/33/93/66/1066339366.db2.gz PCQVYNKLBNYVPD-MJGOQNOKSA-N 0 1 458.430 4.700 20 0 JJADMN Cc1cccc(-c2ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2C)c1 ZINC001443628751 1066339563 /nfs/dbraw/zinc/33/95/63/1066339563.db2.gz DHDOTJDRMJJYCT-UHFFFAOYSA-N 0 1 451.014 4.596 20 0 JJADMN CC(C)(C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1F ZINC001443630522 1066340880 /nfs/dbraw/zinc/34/08/80/1066340880.db2.gz HZZLYDNEBKLAOG-UHFFFAOYSA-N 0 1 452.401 4.739 20 0 JJADMN Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361099779 1066349832 /nfs/dbraw/zinc/34/98/32/1066349832.db2.gz LDPBYPNYFDXLQO-ROUUACIJSA-N 0 1 487.446 4.611 20 0 JJADMN Cc1cccc(N(C)c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001361102846 1066352542 /nfs/dbraw/zinc/35/25/42/1066352542.db2.gz HVBZGBOVTCJLIF-BGYRXZFFSA-N 0 1 453.656 4.895 20 0 JJADMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)c1Br ZINC001443727736 1066358526 /nfs/dbraw/zinc/35/85/26/1066358526.db2.gz SIMOSYHIFFERJG-GFCCVEGCSA-N 0 1 459.207 4.806 20 0 JJADMN O=C(c1ccc(Br)c(Cl)c1F)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC001455319039 1066383212 /nfs/dbraw/zinc/38/32/12/1066383212.db2.gz ZCPRUKKRIZRPJG-SFHVURJKSA-N 0 1 452.686 4.892 20 0 JJADMN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc(-c3ccc(Br)cc3)[nH]n1)CC2 ZINC001455434468 1066389761 /nfs/dbraw/zinc/38/97/61/1066389761.db2.gz RNHAUMDJNZUKSS-ZDUSSCGKSA-N 0 1 456.340 4.616 20 0 JJADMN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001455462063 1066394176 /nfs/dbraw/zinc/39/41/76/1066394176.db2.gz FRWVNCRYSYQDQL-HTAPYJJXSA-N 0 1 456.587 4.514 20 0 JJADMN CC(C)c1cc([C@@H]2CCCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)C2)n[nH]1 ZINC001455471617 1066395441 /nfs/dbraw/zinc/39/54/41/1066395441.db2.gz XXYFFAMBIYAUAR-QGZVFWFLSA-N 0 1 458.632 4.557 20 0 JJADMN O=C(NOc1ccccc1F)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001455475189 1066396077 /nfs/dbraw/zinc/39/60/77/1066396077.db2.gz IGVJJLQQCFORGD-UHFFFAOYSA-N 0 1 455.294 4.657 20 0 JJADMN Cc1nc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCN(C(C)C)CC2)sc1C ZINC001361130665 1066396078 /nfs/dbraw/zinc/39/60/78/1066396078.db2.gz QAVUENPCUAATJT-UHFFFAOYSA-N 0 1 482.698 4.941 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN2CC=CCC2)c1 ZINC001361131134 1066398555 /nfs/dbraw/zinc/39/85/55/1066398555.db2.gz YZDKROSWMZPWLZ-QFIPXVFZSA-N 0 1 467.658 4.555 20 0 JJADMN CCOc1ccccc1-c1cc(C(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)n[nH]1 ZINC001444081433 1066401884 /nfs/dbraw/zinc/40/18/84/1066401884.db2.gz OASYWOKGDBCWDF-HSZRJFAPSA-N 0 1 454.521 4.663 20 0 JJADMN CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@@]1(C)C[C@H](O)CN1C ZINC001455580684 1066412245 /nfs/dbraw/zinc/41/22/45/1066412245.db2.gz FIJVSKYBHTZUTK-HRAATJIYSA-N 0 1 457.785 4.853 20 0 JJADMN CC(C)(NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1cccs1 ZINC001444137357 1066412520 /nfs/dbraw/zinc/41/25/20/1066412520.db2.gz OZOWUCGOTMQNGH-UHFFFAOYSA-N 0 1 450.969 4.573 20 0 JJADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccncc2)cc1 ZINC001444140279 1066414755 /nfs/dbraw/zinc/41/47/55/1066414755.db2.gz RDDYDMSKMGHDJY-JOCHJYFZSA-N 0 1 455.480 4.684 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)c4c(F)ccnc4F)cc3[nH]2)CC1 ZINC001455624965 1066416622 /nfs/dbraw/zinc/41/66/22/1066416622.db2.gz HMKYCBJYSGTYNM-UHFFFAOYSA-N 0 1 457.481 4.603 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361146009 1066430988 /nfs/dbraw/zinc/43/09/88/1066430988.db2.gz OTPAWMFDQOWDNY-ZRZAMGCNSA-N 0 1 495.668 4.900 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361151706 1066443770 /nfs/dbraw/zinc/44/37/70/1066443770.db2.gz DWLTYNYJBMORKB-HJOGWXRNSA-N 0 1 483.701 4.846 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCC(C)CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361152494 1066446561 /nfs/dbraw/zinc/44/65/61/1066446561.db2.gz MMYUDDGRUIOJFZ-GOTSBHOMSA-N 0 1 469.674 4.598 20 0 JJADMN CCCC[C@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001444316491 1066447310 /nfs/dbraw/zinc/44/73/10/1066447310.db2.gz CNIGLQDSZGNZAC-QGZVFWFLSA-N 0 1 459.395 4.729 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546077890 1066460023 /nfs/dbraw/zinc/46/00/23/1066460023.db2.gz XQMBLRDPFFLMJU-RXYILKCJSA-N 0 1 483.701 4.586 20 0 JJADMN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001444412285 1066460069 /nfs/dbraw/zinc/46/00/69/1066460069.db2.gz RLXKPURJHYPIOU-MRXNPFEDSA-N 0 1 458.923 4.779 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001361164061 1066474680 /nfs/dbraw/zinc/47/46/80/1066474680.db2.gz UIBRTNWLSGTKIR-CTNGQTDRSA-N 0 1 471.696 4.780 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001361164064 1066474726 /nfs/dbraw/zinc/47/47/26/1066474726.db2.gz UIBRTNWLSGTKIR-TZIWHRDSSA-N 0 1 471.696 4.780 20 0 JJADMN Cc1ccc(C2(C)CCN(c3nnc(C(C)C)n3C[C@H]3CN(CC(C)C)CCO3)CC2)cc1 ZINC001361166738 1066478424 /nfs/dbraw/zinc/47/84/24/1066478424.db2.gz ZZGWLCBRBWIKLN-XMMPIXPASA-N 0 1 453.675 4.625 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)o1 ZINC001361169665 1066484200 /nfs/dbraw/zinc/48/42/00/1066484200.db2.gz ITYZRBVFCOHYIO-KNQAVFIVSA-N 0 1 455.578 4.540 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CCCOc3ccc(C)cc3C)CC2)c1C ZINC001456034677 1066485230 /nfs/dbraw/zinc/48/52/30/1066485230.db2.gz AVYPJXBSYWEZIX-UHFFFAOYSA-N 0 1 453.627 4.606 20 0 JJADMN CC(=O)c1cc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1OC(C)C ZINC001444648545 1066488092 /nfs/dbraw/zinc/48/80/92/1066488092.db2.gz KONOLVVSWPWONU-UHFFFAOYSA-N 0 1 458.986 4.603 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C3CCCCC3)n2CCCCN2CCOCC2)cc1Br ZINC001361172259 1066489409 /nfs/dbraw/zinc/48/94/09/1066489409.db2.gz YVPRILXICGPZLB-UHFFFAOYSA-N 0 1 490.490 4.897 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC4(C3)CCCCC4)ccc2OC)cc1 ZINC001444695609 1066494573 /nfs/dbraw/zinc/49/45/73/1066494573.db2.gz CZXVLKRRUMTWOG-UHFFFAOYSA-N 0 1 456.608 4.855 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3ccccc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)o1 ZINC001361175995 1066494671 /nfs/dbraw/zinc/49/46/71/1066494671.db2.gz ZWDGAYRYZJLPHY-BVSLBCMMSA-N 0 1 451.615 4.586 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2C[C@@H]2CN(CC(C)C)CCO2)o1 ZINC001361178430 1066498818 /nfs/dbraw/zinc/49/88/18/1066498818.db2.gz MIUGEZIECSDXOA-IBGZPJMESA-N 0 1 475.996 4.632 20 0 JJADMN Cc1nc(CNC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)sc1C ZINC001444811539 1066507700 /nfs/dbraw/zinc/50/77/00/1066507700.db2.gz JLEUFXHCDIJVAX-UHFFFAOYSA-N 0 1 459.234 4.829 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546079355 1066508381 /nfs/dbraw/zinc/50/83/81/1066508381.db2.gz KMQKHMZDGMUPBD-ISJBWFOZSA-N 0 1 487.714 4.705 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCN2CCSCC2)cc1Br ZINC001361201931 1066531834 /nfs/dbraw/zinc/53/18/34/1066531834.db2.gz KCFNSPZRVKIMJW-UHFFFAOYSA-N 0 1 478.504 4.691 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](c2ccco2)N(C)C)o1 ZINC001361203933 1066533611 /nfs/dbraw/zinc/53/36/11/1066533611.db2.gz GJGCAKSBBWHLIH-KRWDZBQOSA-N 0 1 451.493 4.911 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)C1 ZINC001445083619 1066537394 /nfs/dbraw/zinc/53/73/94/1066537394.db2.gz SJCVPFAXOLBKNU-IBGZPJMESA-N 0 1 456.587 4.965 20 0 JJADMN CN(C)c1ncc(Br)c(C(=O)Nc2ccc3nc(CC4CCCCC4)[nH]c3c2)n1 ZINC001445229750 1066547512 /nfs/dbraw/zinc/54/75/12/1066547512.db2.gz CJZWQBNTQQUDHO-UHFFFAOYSA-N 0 1 457.376 4.557 20 0 JJADMN CC(C)C1CCC(N2CCN(C(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)CC2)CC1 ZINC001445268442 1066550899 /nfs/dbraw/zinc/55/08/99/1066550899.db2.gz FWZPZLKKSQHTGF-VHYCJAOWSA-N 0 1 457.659 4.687 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2C[C@H]2CC=CCC2)cc1Br ZINC001361221435 1066560222 /nfs/dbraw/zinc/56/02/22/1066560222.db2.gz YTYMZOUDGGEXMC-IBGZPJMESA-N 0 1 458.448 4.903 20 0 JJADMN Cc1ccc(Cn2cc(C(=O)Nc3cc(C(=O)OC(C)C)[nH]n3)c(-c3ccc(C)cc3)n2)cc1 ZINC001456329025 1066563371 /nfs/dbraw/zinc/56/33/71/1066563371.db2.gz HDCQHCWIAHVRKG-UHFFFAOYSA-N 0 1 457.534 4.756 20 0 JJADMN Cc1cccc(C(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c2cccc(C)c2)c1 ZINC001445387411 1066565637 /nfs/dbraw/zinc/56/56/37/1066565637.db2.gz AJLFFOYWCKNLNW-VWLOTQADSA-N 0 1 458.606 4.540 20 0 JJADMN Cc1cc([C@@H]2CCCCN2C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n[nH]1 ZINC001456380942 1066573691 /nfs/dbraw/zinc/57/36/91/1066573691.db2.gz IPROUZJDLXMYSJ-GGAORHGYSA-N 0 1 450.970 4.987 20 0 JJADMN CCCCc1nc2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@H]3C[C@@H]3C)cc2[nH]1 ZINC001445541497 1066585798 /nfs/dbraw/zinc/58/57/98/1066585798.db2.gz OUMWWYJFCBRLIZ-HOCLYGCPSA-N 0 1 450.539 4.770 20 0 JJADMN CCCCc1nc2ccc(NC(=O)[C@@H]3Cc4ccc(O)cc4N3C(=O)OC(C)(C)C)cc2[nH]1 ZINC001445543057 1066585819 /nfs/dbraw/zinc/58/58/19/1066585819.db2.gz QWETYKVALDIJST-NRFANRHFSA-N 0 1 450.539 4.916 20 0 JJADMN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001361247872 1066590399 /nfs/dbraw/zinc/59/03/99/1066590399.db2.gz NFORQRJJGDGVQP-OAHLLOKOSA-N 0 1 453.381 4.839 20 0 JJADMN CC(C)Sc1ccccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC001456510848 1066606977 /nfs/dbraw/zinc/60/69/77/1066606977.db2.gz VZRFIVLXAQQPPS-UHFFFAOYSA-N 0 1 451.558 4.888 20 0 JJADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC001545978743 1066615165 /nfs/dbraw/zinc/61/51/65/1066615165.db2.gz KEWSUVKJLWFAHH-UHFFFAOYSA-N 0 1 456.302 4.574 20 0 JJADMN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc(Br)cc2nc[nH]c21 ZINC001545978634 1066615215 /nfs/dbraw/zinc/61/52/15/1066615215.db2.gz HWONWDQHKMUSSW-UHFFFAOYSA-N 0 1 450.218 4.782 20 0 JJADMN Cc1ccccc1OCCCN(C)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001492599599 1066650557 /nfs/dbraw/zinc/65/05/57/1066650557.db2.gz ZFBRRHZZGQWQFD-VXKWHMMOSA-N 0 1 457.663 4.503 20 0 JJADMN CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C1CCC1 ZINC001446169814 1066668922 /nfs/dbraw/zinc/66/89/22/1066668922.db2.gz TZALQEPZVXTHRL-HXUWFJFHSA-N 0 1 450.988 4.935 20 0 JJADMN CC1=CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001492608661 1066669750 /nfs/dbraw/zinc/66/97/50/1066669750.db2.gz FOQQZQFTWQCMOX-DEOSSOPVSA-N 0 1 451.659 4.756 20 0 JJADMN C[N@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001446191863 1066672619 /nfs/dbraw/zinc/67/26/19/1066672619.db2.gz KVGBTJXDVTYSRD-PXNSSMCTSA-N 0 1 455.755 4.572 20 0 JJADMN CN1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001446191863 1066672623 /nfs/dbraw/zinc/67/26/23/1066672623.db2.gz KVGBTJXDVTYSRD-PXNSSMCTSA-N 0 1 455.755 4.572 20 0 JJADMN C[N@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001446191868 1066672693 /nfs/dbraw/zinc/67/26/93/1066672693.db2.gz KVGBTJXDVTYSRD-XLIONFOSSA-N 0 1 455.755 4.572 20 0 JJADMN CN1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC001446191868 1066672699 /nfs/dbraw/zinc/67/26/99/1066672699.db2.gz KVGBTJXDVTYSRD-XLIONFOSSA-N 0 1 455.755 4.572 20 0 JJADMN CN1CC[C@H](NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)[C@@H]1c1ccc(F)cc1 ZINC001446191986 1066673307 /nfs/dbraw/zinc/67/33/07/1066673307.db2.gz LJUVNYMYYDBLQW-KKSFZXQISA-N 0 1 451.489 4.948 20 0 JJADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001456719148 1066673700 /nfs/dbraw/zinc/67/37/00/1066673700.db2.gz ACYXQGREDCBXGR-XMMPIXPASA-N 0 1 457.618 4.525 20 0 JJADMN CC1=CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001492615484 1066681758 /nfs/dbraw/zinc/68/17/58/1066681758.db2.gz OIICUXBIDFGSCH-OALUTQOASA-N 0 1 488.474 4.752 20 0 JJADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001446284322 1066685993 /nfs/dbraw/zinc/68/59/93/1066685993.db2.gz VZCIRJVEDXGQGM-SJORKVTESA-N 0 1 453.583 4.919 20 0 JJADMN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001446284318 1066686119 /nfs/dbraw/zinc/68/61/19/1066686119.db2.gz VZCIRJVEDXGQGM-IRXDYDNUSA-N 0 1 453.583 4.919 20 0 JJADMN O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(I)c(Cl)cc1Cl ZINC001446331106 1066691080 /nfs/dbraw/zinc/69/10/80/1066691080.db2.gz JJQKSBBPUZUQIN-UHFFFAOYSA-N 0 1 459.074 4.635 20 0 JJADMN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc(Br)cc1O ZINC001446340516 1066693459 /nfs/dbraw/zinc/69/34/59/1066693459.db2.gz QZILPEDOUCFEOO-UHFFFAOYSA-N 0 1 450.161 4.937 20 0 JJADMN CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2C)CC1)NC(=O)OC(C)(C)C ZINC001545987071 1066712716 /nfs/dbraw/zinc/71/27/16/1066712716.db2.gz OPKRUCUPUZYXCZ-XMMPIXPASA-N 0 1 496.700 4.870 20 0 JJADMN Cc1cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)nn1-c1cccc(C(F)(F)F)c1 ZINC001446511295 1066712997 /nfs/dbraw/zinc/71/29/97/1066712997.db2.gz GAERGLVYEVNBPQ-QGZVFWFLSA-N 0 1 457.500 4.550 20 0 JJADMN Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001446518792 1066713551 /nfs/dbraw/zinc/71/35/51/1066713551.db2.gz SBZYYNIQXAHMTK-MRXNPFEDSA-N 0 1 457.500 4.550 20 0 JJADMN Cc1cnc(C2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC001492633467 1066714992 /nfs/dbraw/zinc/71/49/92/1066714992.db2.gz ZXCJXKNTJRDHNH-QZTJIDSGSA-N 0 1 474.719 4.612 20 0 JJADMN CN1CCN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C2(CCCCC2)C1 ZINC001456910707 1066719654 /nfs/dbraw/zinc/71/96/54/1066719654.db2.gz IHMYSBGKKBXHKD-UHFFFAOYSA-N 0 1 451.398 4.843 20 0 JJADMN CC(C)CN1Cc2cccc(NC(=O)c3ccc4[nH]cc(I)c4c3)c2C1 ZINC001446638885 1066727665 /nfs/dbraw/zinc/72/76/65/1066727665.db2.gz PAXZSUKPEMRLLJ-UHFFFAOYSA-N 0 1 459.331 4.996 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3)C2)ccc1Cl ZINC001446739444 1066735381 /nfs/dbraw/zinc/73/53/81/1066735381.db2.gz ISHRVAZIPVZWNO-UHFFFAOYSA-N 0 1 452.963 4.989 20 0 JJADMN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001492642979 1066737855 /nfs/dbraw/zinc/73/78/55/1066737855.db2.gz WSHMTYIMRWKHCL-HSALFYBXSA-N 0 1 474.719 4.612 20 0 JJADMN Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC001457042777 1066751024 /nfs/dbraw/zinc/75/10/24/1066751024.db2.gz PYUWCZYSOGAZQS-UHFFFAOYSA-N 0 1 459.275 4.901 20 0 JJADMN CCCN(CC)C(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC001446982606 1066761478 /nfs/dbraw/zinc/76/14/78/1066761478.db2.gz MNIPUHJLQQDRJZ-QFIPXVFZSA-N 0 1 451.615 4.744 20 0 JJADMN CC[C@]1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985483 1066761884 /nfs/dbraw/zinc/76/18/84/1066761884.db2.gz QFEIFXCZMMENAW-KBMIEXCESA-N 0 1 459.635 4.738 20 0 JJADMN Cc1ccc(-c2cc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)[C@H]4C(C)C)CC3)n[nH]2)cc1 ZINC001457111576 1066764902 /nfs/dbraw/zinc/76/49/02/1066764902.db2.gz CBEHGGMBDAXMCD-QFIPXVFZSA-N 0 1 452.599 4.883 20 0 JJADMN Cc1cccc(N2CCN(CCC(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)CC2)c1 ZINC001447011501 1066765570 /nfs/dbraw/zinc/76/55/70/1066765570.db2.gz RPDRTOJGHCMFKD-UHFFFAOYSA-N 0 1 458.393 4.638 20 0 JJADMN CC(=O)c1ccc(O)c(NC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001447018669 1066766818 /nfs/dbraw/zinc/76/68/18/1066766818.db2.gz CJFZYXZJLOLGTO-UHFFFAOYSA-N 0 1 458.514 4.804 20 0 JJADMN CN1CCCC[C@H]1C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001447316163 1066791111 /nfs/dbraw/zinc/79/11/11/1066791111.db2.gz QGAFUMUZDKNJGR-NSOVKSMOSA-N 0 1 458.602 4.812 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H](c2ccco2)N(C)C)cs1 ZINC001492666565 1066792434 /nfs/dbraw/zinc/79/24/34/1066792434.db2.gz YWOFMSRWCMZAGR-KRWDZBQOSA-N 0 1 477.059 4.881 20 0 JJADMN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC001447377527 1066801337 /nfs/dbraw/zinc/80/13/37/1066801337.db2.gz FZVRHPMGOCMCQC-UHFFFAOYSA-N 0 1 452.506 4.972 20 0 JJADMN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001447377527 1066801352 /nfs/dbraw/zinc/80/13/52/1066801352.db2.gz FZVRHPMGOCMCQC-UHFFFAOYSA-N 0 1 452.506 4.972 20 0 JJADMN C[C@H](Oc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445348 1066810434 /nfs/dbraw/zinc/81/04/34/1066810434.db2.gz HOTHRZGZDBZMJG-QKKBWIMNSA-N 0 1 451.889 4.652 20 0 JJADMN Nc1cc(CCCCNC(=O)c2cc(Br)ccc2OCc2ccccc2)ccn1 ZINC001457429703 1066830448 /nfs/dbraw/zinc/83/04/48/1066830448.db2.gz QIPSYQSVUAUQKR-UHFFFAOYSA-N 0 1 454.368 4.758 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C(F)(F)F)CC2)n1 ZINC001492691498 1066836863 /nfs/dbraw/zinc/83/68/63/1066836863.db2.gz IQQMHQWEYJDCLN-UHFFFAOYSA-N 0 1 491.562 4.603 20 0 JJADMN Cc1nnc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C(F)(F)F)CC2)[nH]1 ZINC001492691498 1066836869 /nfs/dbraw/zinc/83/68/69/1066836869.db2.gz IQQMHQWEYJDCLN-UHFFFAOYSA-N 0 1 491.562 4.603 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)c2ccc(OC(C)C)cc2)c1 ZINC001447696141 1066844103 /nfs/dbraw/zinc/84/41/03/1066844103.db2.gz YQRVKDZNPJHWQZ-UHFFFAOYSA-N 0 1 454.548 4.560 20 0 JJADMN COc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC001457504094 1066844777 /nfs/dbraw/zinc/84/47/77/1066844777.db2.gz MGCRODMPRMBLMQ-WADWEFIESA-N 0 1 454.523 4.623 20 0 JJADMN CC(C)(C)N1CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457505218 1066845375 /nfs/dbraw/zinc/84/53/75/1066845375.db2.gz UFOSTABJQPZZDA-KRWDZBQOSA-N 0 1 456.395 4.606 20 0 JJADMN CN1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3Cl)c3ccccc3)nc2)CC1 ZINC001457544576 1066857344 /nfs/dbraw/zinc/85/73/44/1066857344.db2.gz XRWGAXCBRAYNJU-HSZRJFAPSA-N 0 1 453.011 4.959 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001457550463 1066859352 /nfs/dbraw/zinc/85/93/52/1066859352.db2.gz CINPVPPRKXSNEW-RLFYNMQTSA-N 0 1 459.978 4.879 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3(C)CCCC3)ccc2Cl)cc1 ZINC001457625552 1066884276 /nfs/dbraw/zinc/88/42/76/1066884276.db2.gz YNXLLXRVFJZCSP-UHFFFAOYSA-N 0 1 450.988 4.850 20 0 JJADMN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC001448047434 1066893333 /nfs/dbraw/zinc/89/33/33/1066893333.db2.gz JPHFMPCMHJTMNG-HSZRJFAPSA-N 0 1 457.482 4.522 20 0 JJADMN CN(C)[C@H](CNC(=O)CCOc1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001448061733 1066895290 /nfs/dbraw/zinc/89/52/90/1066895290.db2.gz GYQYXUOPRWDVMK-QGZVFWFLSA-N 0 1 459.306 4.656 20 0 JJADMN CN(C)c1cc(Br)cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC001448068506 1066895790 /nfs/dbraw/zinc/89/57/90/1066895790.db2.gz QSINLEUBQXCBLY-GOSISDBHSA-N 0 1 458.322 4.567 20 0 JJADMN CN(C)[C@H](CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072343 1066897007 /nfs/dbraw/zinc/89/70/07/1066897007.db2.gz YTTBJVSRGWEUEN-TZIWHRDSSA-N 0 1 453.892 4.661 20 0 JJADMN CC[C@H](C)n1nc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1C ZINC001457722772 1066904708 /nfs/dbraw/zinc/90/47/08/1066904708.db2.gz QLZXDBPHRKGICQ-INIZCTEOSA-N 0 1 456.568 4.533 20 0 JJADMN CN(Cc1nnc[nH]1)C(=O)c1cc(C=Cc2cccs2)nc2ccc(Br)cc21 ZINC001457776719 1066917353 /nfs/dbraw/zinc/91/73/53/1066917353.db2.gz ZWBYVESZUIWMHT-AATRIKPKSA-N 0 1 454.353 4.620 20 0 JJADMN CC(C)[C@@H](NC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1)[C@H](O)c1ccccc1 ZINC001457779999 1066918414 /nfs/dbraw/zinc/91/84/14/1066918414.db2.gz NWAHJOKZJFQTKN-KAYWLYCHSA-N 0 1 455.558 4.510 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC001457788629 1066920683 /nfs/dbraw/zinc/92/06/83/1066920683.db2.gz MYIGKVBBWIPZFR-GCJKJVERSA-N 0 1 455.599 4.793 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1sc2ncccc2c1Cl ZINC001457791107 1066921916 /nfs/dbraw/zinc/92/19/16/1066921916.db2.gz SWAMWLBLJPUTPB-MRXNPFEDSA-N 0 1 454.983 4.803 20 0 JJADMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CS[C@@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860276 1066932894 /nfs/dbraw/zinc/93/28/94/1066932894.db2.gz JNKWCMIFQGPCAQ-GXTWGEPZSA-N 0 1 459.420 4.726 20 0 JJADMN Cc1ccc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1NC(=O)NC(C)(C)C ZINC001448498433 1066933694 /nfs/dbraw/zinc/93/36/94/1066933694.db2.gz AOJVVAFDEPOEGM-LJQANCHMSA-N 0 1 451.615 4.973 20 0 JJADMN Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)C)CC2)n1 ZINC001492760971 1066933849 /nfs/dbraw/zinc/93/38/49/1066933849.db2.gz XXPKSLPFXWTWOK-NRFANRHFSA-N 0 1 486.064 4.506 20 0 JJADMN Cc1[nH]c(SCC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)nc1Cc1ccccc1 ZINC001457945522 1066945052 /nfs/dbraw/zinc/94/50/52/1066945052.db2.gz DNJJMLRMESSQAA-LJQANCHMSA-N 0 1 450.391 4.558 20 0 JJADMN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001546095547 1066950531 /nfs/dbraw/zinc/95/05/31/1066950531.db2.gz OVWFSEVGMBZDPY-DHLKQENFSA-N 0 1 453.656 4.547 20 0 JJADMN Cc1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@@H](c1ccsc1)N(C)C ZINC001492795389 1066951042 /nfs/dbraw/zinc/95/10/42/1066951042.db2.gz VLSNXLBRCLLIOF-VLIAUNLRSA-N 0 1 460.445 4.837 20 0 JJADMN C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)[C@@H](C)CN1Cc1ccccc1 ZINC001457991551 1066953644 /nfs/dbraw/zinc/95/36/44/1066953644.db2.gz HDMRYBIUCWJRGB-CVEARBPZSA-N 0 1 451.792 4.603 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNc3ncnc4cc(F)c(Br)cc43)cc2)C[C@@H](C)O1 ZINC001458102421 1066976231 /nfs/dbraw/zinc/97/62/31/1066976231.db2.gz XEWSXWSGRQLTLJ-HUUCEWRRSA-N 0 1 459.363 4.753 20 0 JJADMN C[C@H](CNc1ncncc1-c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 ZINC001458112841 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JRWCJHQELVJBBJ-QGZVFWFLSA-N 0 1 457.258 4.699 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)C1)N1CCOCC1 ZINC001545735531 1066998956 /nfs/dbraw/zinc/99/89/56/1066998956.db2.gz CMNOESFOEITHDA-SDUSCBPUSA-N 0 1 453.675 4.803 20 0 JJADMN CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545735896 1066999465 /nfs/dbraw/zinc/99/94/65/1066999465.db2.gz IDNGLLVTVGFHSO-FSHOYSFVSA-N 0 1 483.701 4.569 20 0 JJADMN CC[C@@H](c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN(CC)CCC(F)(F)F)c1ccccc1 ZINC001545743054 1067009407 /nfs/dbraw/zinc/00/94/07/1067009407.db2.gz CTZQGHWSKRPXLY-QPPBQGQZSA-N 0 1 479.591 4.711 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cc3ccccc3[nH]2)ccc1Cl ZINC001449442268 1067009552 /nfs/dbraw/zinc/00/95/52/1067009552.db2.gz BIFRNFDHXCLCRA-UHFFFAOYSA-N 0 1 453.951 4.861 20 0 JJADMN O=C(NC[C@@H](c1nc[nH]n1)c1ccccc1)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001449452227 1067010249 /nfs/dbraw/zinc/01/02/49/1067010249.db2.gz IGPNQJKXWKOXSU-KNQAVFIVSA-N 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JJADMN CC[C@@H](c1nnc(N2CCC[C@H](COC)C2)n1C[C@@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545749821 1067021087 /nfs/dbraw/zinc/02/10/87/1067021087.db2.gz UMFASTBTUGXRGB-WWNPGLIZSA-N 0 1 451.615 4.579 20 0 JJADMN O=C(NCc1ccnc(C(F)(F)F)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001449830418 1067030804 /nfs/dbraw/zinc/03/08/04/1067030804.db2.gz IUCXZVKRVSQMRJ-UHFFFAOYSA-N 0 1 455.845 4.703 20 0 JJADMN CC[C@H](C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)OC ZINC001449917807 1067037285 /nfs/dbraw/zinc/03/72/85/1067037285.db2.gz ONOYJVFRFUUAMZ-UGSOOPFHSA-N 0 1 459.395 4.585 20 0 JJADMN C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001449927267 1067037788 /nfs/dbraw/zinc/03/77/88/1067037788.db2.gz SWUWFVNYQNBGEI-UHFFFAOYSA-N 0 1 452.382 4.802 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CCOC)[C@H](CC)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758497 1067038298 /nfs/dbraw/zinc/03/82/98/1067038298.db2.gz IEYYSQXJUABSBW-KBDPUJGOSA-N 0 1 483.701 4.571 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758762 1067039686 /nfs/dbraw/zinc/03/96/86/1067039686.db2.gz MILWMVTXBXSJAP-BJKOFHAPSA-N 0 1 453.675 4.947 20 0 JJADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001449978951 1067039752 /nfs/dbraw/zinc/03/97/52/1067039752.db2.gz WQTOOKNYFIZJDI-ZDUSSCGKSA-N 0 1 454.379 4.643 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758764 1067040028 /nfs/dbraw/zinc/04/00/28/1067040028.db2.gz MILWMVTXBXSJAP-RPWUZVMVSA-N 0 1 453.675 4.947 20 0 JJADMN CC[C@@H](C)n1c2ccc(NC(=O)C3CCC(N4CCOCC4)CC3)cc2nc1C(F)(F)F ZINC001449995845 1067040677 /nfs/dbraw/zinc/04/06/77/1067040677.db2.gz IRJHGSMODFGTRE-KLHKWILBSA-N 0 1 452.521 4.856 20 0 JJADMN O=Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](Cc4ccc(Br)cc4)C3)c(O)c2)o1 ZINC001450079479 1067047876 /nfs/dbraw/zinc/04/78/76/1067047876.db2.gz ZCJUJFLRBINFFZ-INIZCTEOSA-N 0 1 454.320 4.932 20 0 JJADMN 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C[C@@H]1[C@H](NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C ZINC001451736978 1067189744 /nfs/dbraw/zinc/18/97/44/1067189744.db2.gz IWQFHKQWKWJTEN-HYBUGGRVSA-N 0 1 451.611 4.836 20 0 JJADMN COc1ccc([C@@H](CNC(=O)CSc2ncc(-c3ccccc3)o2)N2CCCCC2)cc1 ZINC001458915854 1067195441 /nfs/dbraw/zinc/19/54/41/1067195441.db2.gz IDSILTWIIMJHLD-JOCHJYFZSA-N 0 1 451.592 4.786 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2)C1CCCCC1 ZINC001451877613 1067195754 /nfs/dbraw/zinc/19/57/54/1067195754.db2.gz FKJCDZJIYIRDRF-SFHVURJKSA-N 0 1 450.649 4.712 20 0 JJADMN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1 ZINC001451873419 1067195972 /nfs/dbraw/zinc/19/59/72/1067195972.db2.gz ANVBPMQTCLBARS-IBGZPJMESA-N 0 1 458.628 4.813 20 0 JJADMN COC(=O)c1ccc(COc2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC001458936385 1067202419 /nfs/dbraw/zinc/20/24/19/1067202419.db2.gz QJOHRBYCAWTTQI-UHFFFAOYSA-N 0 1 456.303 4.753 20 0 JJADMN 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CCc1cc(C(=O)N2CCC(Cc3nnc(C(C)C)[nH]3)CC2)c2c(CC(C)(C)C)noc2n1 ZINC001452738835 1067247523 /nfs/dbraw/zinc/24/75/23/1067247523.db2.gz QYJVWBJNUNIMAI-UHFFFAOYSA-N 0 1 452.603 4.710 20 0 JJADMN Cc1ccc2c(c1)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c1)CC2 ZINC001452977480 1067270196 /nfs/dbraw/zinc/27/01/96/1067270196.db2.gz NEKLWTFRJBUWJG-UHFFFAOYSA-N 0 1 458.942 4.787 20 0 JJADMN Cc1[nH]c2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)[C@@H](NC(=O)C(F)(F)F)C3)cc2c1C ZINC001452990861 1067271222 /nfs/dbraw/zinc/27/12/22/1067271222.db2.gz LFVYFGWKLSNUHT-RXVVDRJESA-N 0 1 461.459 4.601 20 0 JJADMN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC001452999783 1067273987 /nfs/dbraw/zinc/27/39/87/1067273987.db2.gz WEZOEFRNUZBHHD-QFIPXVFZSA-N 0 1 454.533 4.544 20 0 JJADMN O=C(NOc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001453034249 1067274967 /nfs/dbraw/zinc/27/49/67/1067274967.db2.gz UWQVZSCEVKQIMF-UHFFFAOYSA-N 0 1 455.294 4.657 20 0 JJADMN 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C[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459869424 1067466215 /nfs/dbraw/zinc/46/62/15/1067466215.db2.gz UARKWELHJYCQFH-HZPDHXFCSA-N 0 1 452.555 4.754 20 0 JJADMN COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)Nc2ccc(Br)cn2)cc1 ZINC001459870233 1067466862 /nfs/dbraw/zinc/46/68/62/1067466862.db2.gz YIZSMTMPPDXSKA-FQEVSTJZSA-N 0 1 458.331 4.504 20 0 JJADMN COc1cc(C)c([C@@H](C)NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2F)cc1OC ZINC001459885484 1067473173 /nfs/dbraw/zinc/47/31/73/1067473173.db2.gz NLCOHWKEOHXDFT-NTKDMRAZSA-N 0 1 450.554 4.902 20 0 JJADMN CC[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894744 1067477181 /nfs/dbraw/zinc/47/71/81/1067477181.db2.gz XNNWKSGDEWZEFZ-DBYOASNMSA-N 0 1 457.659 4.756 20 0 JJADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCC(=O)N(C)c1nccs1 ZINC001459899561 1067479314 /nfs/dbraw/zinc/47/93/14/1067479314.db2.gz ULSLGHODSLWCGR-LLVKDONJSA-N 0 1 451.415 4.651 20 0 JJADMN C[C@H](NC(=O)[C@H](C)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1cccc2ccccc21 ZINC001459910007 1067485100 /nfs/dbraw/zinc/48/51/00/1067485100.db2.gz UCPPYOMDCJUSTD-OSOCVKALSA-N 0 1 451.611 4.738 20 0 JJADMN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459911588 1067486830 /nfs/dbraw/zinc/48/68/30/1067486830.db2.gz XKQZYTHOTOGZAF-UNMCSNQZSA-N 0 1 457.546 4.803 20 0 JJADMN C[C@@H](NCC[C@H]1Sc2ccccc2NC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC001459913308 1067487934 /nfs/dbraw/zinc/48/79/34/1067487934.db2.gz VLGCPIDLQLPVFY-SJKOYZFVSA-N 0 1 459.369 4.653 20 0 JJADMN CC[C@H]1CN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001459916552 1067489412 /nfs/dbraw/zinc/48/94/12/1067489412.db2.gz MWSFDZGMZMPVNP-LMSSTIIKSA-N 0 1 459.609 4.970 20 0 JJADMN CC[C@@H]1CN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918245 1067490378 /nfs/dbraw/zinc/49/03/78/1067490378.db2.gz XJLAEZCFRCIOFO-RPWUZVMVSA-N 0 1 459.556 4.793 20 0 JJADMN Cc1cc(Br)c(NC(=O)CNC(C)(C)c2ccc(C)nc2)c(Br)c1 ZINC001459921521 1067492275 /nfs/dbraw/zinc/49/22/75/1067492275.db2.gz IZFPJFVKBZIWBJ-UHFFFAOYSA-N 0 1 455.194 4.687 20 0 JJADMN Cc1ccncc1[C@H](C)NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001459936597 1067499064 /nfs/dbraw/zinc/49/90/64/1067499064.db2.gz QIKPONYDNOIOGF-INIZCTEOSA-N 0 1 456.468 4.950 20 0 JJADMN CC(C)[C@@H](CNC(=O)CN1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC001459951495 1067504510 /nfs/dbraw/zinc/50/45/10/1067504510.db2.gz CAZRDQUOFZIJOV-HSZRJFAPSA-N 0 1 457.659 4.656 20 0 JJADMN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1 ZINC001459957993 1067507127 /nfs/dbraw/zinc/50/71/27/1067507127.db2.gz KBALPFXBUPGNSA-HXUWFJFHSA-N 0 1 450.604 4.603 20 0 JJADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC001459978925 1067514040 /nfs/dbraw/zinc/51/40/40/1067514040.db2.gz GTDCTPUNJZFZMN-HXUWFJFHSA-N 0 1 459.432 4.726 20 0 JJADMN O[C@@H](CN[C@H](CC(F)(F)F)c1ccc(Br)cc1)c1cc(Br)no1 ZINC001459986333 1067515936 /nfs/dbraw/zinc/51/59/36/1067515936.db2.gz GEFMBXOCCPKWSF-MNOVXSKESA-N 0 1 458.072 4.516 20 0 JJADMN C[C@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC001459999658 1067521624 /nfs/dbraw/zinc/52/16/24/1067521624.db2.gz SQENNBWDQPEOEN-RCDICMHDSA-N 0 1 458.375 4.858 20 0 JJADMN CCOC(=O)C1C(CN2C[C@H](C(C)C)c3ccccc32)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460046652 1067538249 /nfs/dbraw/zinc/53/82/49/1067538249.db2.gz SFHQTZMQMSMNPM-AUSIDOKSSA-N 0 1 453.970 4.771 20 0 JJADMN O=C(CN1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1)NCCCN1CCCCCC1=O ZINC001460052142 1067539654 /nfs/dbraw/zinc/53/96/54/1067539654.db2.gz KQDRNBFQXAFIJA-OAQYLSRUSA-N 0 1 453.549 4.531 20 0 JJADMN CN(C)S(=O)(=O)c1ccc(CN(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC001460090533 1067552161 /nfs/dbraw/zinc/55/21/61/1067552161.db2.gz UAZVPLNGCPFIOV-UHFFFAOYSA-N 0 1 454.436 4.607 20 0 JJADMN CC[C@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC001460094335 1067553024 /nfs/dbraw/zinc/55/30/24/1067553024.db2.gz QMHIIOOPIPGDPX-KKSFZXQISA-N 0 1 452.437 4.656 20 0 JJADMN CCOc1cccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)c1 ZINC001460096398 1067553933 /nfs/dbraw/zinc/55/39/33/1067553933.db2.gz RJZGCVLLGOCEEI-YRYLYKBFSA-N 0 1 458.400 4.640 20 0 JJADMN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC001460103091 1067555634 /nfs/dbraw/zinc/55/56/34/1067555634.db2.gz BZXCCFFFXPKXRQ-QHCPKHFHSA-N 0 1 455.643 4.540 20 0 JJADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110537 1067556982 /nfs/dbraw/zinc/55/69/82/1067556982.db2.gz PLWRPNAPQJRLTD-GBESFXJTSA-N 0 1 450.023 4.944 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC001460110522 1067557102 /nfs/dbraw/zinc/55/71/02/1067557102.db2.gz PKKGVOUUVRHCSJ-SJORKVTESA-N 0 1 455.521 4.613 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113814 1067558042 /nfs/dbraw/zinc/55/80/42/1067558042.db2.gz YXNNLOKBAJUCLC-MOPGFXCFSA-N 0 1 456.583 4.530 20 0 JJADMN CCc1cc2c(C[N@H+]3CCC[C@@H]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460113814 1067558047 /nfs/dbraw/zinc/55/80/47/1067558047.db2.gz YXNNLOKBAJUCLC-MOPGFXCFSA-N 0 1 456.583 4.530 20 0 JJADMN COc1cc(NC(=O)CCN(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)cc1Cl ZINC001460127316 1067560506 /nfs/dbraw/zinc/56/05/06/1067560506.db2.gz QVZXYPDTJIEONO-GFCCVEGCSA-N 0 1 451.354 4.909 20 0 JJADMN Cc1nc(NC(=O)CN(C[C@@H](C)c2ccccc2)[C@@H](C)CO)sc1Cc1ccc(C)cc1 ZINC001460173903 1067570627 /nfs/dbraw/zinc/57/06/27/1067570627.db2.gz USYAOYGAWDTPJI-UXHICEINSA-N 0 1 451.636 4.776 20 0 JJADMN COC(=O)c1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180471 1067572287 /nfs/dbraw/zinc/57/22/87/1067572287.db2.gz OAPDHUYIVJYHKF-FCHUYYIVSA-N 0 1 456.970 4.654 20 0 JJADMN CC(C)[C@@H](CNC(=O)CN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196252 1067576588 /nfs/dbraw/zinc/57/65/88/1067576588.db2.gz KGBLTTQSLJVIOF-DNQXCXABSA-N 0 1 457.659 4.511 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215876 1067581339 /nfs/dbraw/zinc/58/13/39/1067581339.db2.gz RKOGKNGTNCMZNI-OXQOHEQNSA-N 0 1 453.986 4.919 20 0 JJADMN O=C(CN[C@H](c1ccccc1)C1(CO)CCCC1)Nc1ccc(Br)cc1Cl ZINC001460218047 1067582466 /nfs/dbraw/zinc/58/24/66/1067582466.db2.gz WLYJYRPKEOKAHM-HXUWFJFHSA-N 0 1 451.792 4.925 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(Cc3cc(F)ccc3F)CC2)c(OC)c1 ZINC001460233188 1067586258 /nfs/dbraw/zinc/58/62/58/1067586258.db2.gz FTYWGAPBDFIGGE-DEOSSOPVSA-N 0 1 458.549 4.600 20 0 JJADMN C[C@@H]1C[C@H](C)N(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269809 1067594371 /nfs/dbraw/zinc/59/43/71/1067594371.db2.gz HBQPFRUQHKDEFF-FKCCAMBISA-N 0 1 457.659 4.905 20 0 JJADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN(Cc3ccc(C)cc3C)CC(C)C)nc2c1 ZINC001460278141 1067596153 /nfs/dbraw/zinc/59/61/53/1067596153.db2.gz MOZIOHZAAYJAON-UHFFFAOYSA-N 0 1 456.656 4.868 20 0 JJADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001460280413 1067597081 /nfs/dbraw/zinc/59/70/81/1067597081.db2.gz YPEHDIUEOHRZDU-UHFFFAOYSA-N 0 1 456.656 4.582 20 0 JJADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(Cc1ccc(C)cc1C)CC(C)C ZINC001460280413 1067597087 /nfs/dbraw/zinc/59/70/87/1067597087.db2.gz YPEHDIUEOHRZDU-UHFFFAOYSA-N 0 1 456.656 4.582 20 0 JJADMN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1C ZINC001460308083 1067604228 /nfs/dbraw/zinc/60/42/28/1067604228.db2.gz MQCQTKHJUDWUEI-XQBPLPMBSA-N 0 1 455.599 4.723 20 0 JJADMN Cc1ccc(Br)nc1C(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001460325331 1067608565 /nfs/dbraw/zinc/60/85/65/1067608565.db2.gz MUORHXYJAAQOIN-NRFANRHFSA-N 0 1 458.444 4.958 20 0 JJADMN CC[C@H](C)Oc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)ccn1 ZINC001460346069 1067613351 /nfs/dbraw/zinc/61/33/51/1067613351.db2.gz HYJCFXRKXNEHLC-NVQXNPDNSA-N 0 1 458.606 4.961 20 0 JJADMN O=C([N-][C@H]1C[N@H+](CCOc2ccc(F)c(Cl)c2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460393576 1067625721 /nfs/dbraw/zinc/62/57/21/1067625721.db2.gz RATYTONWZHFADW-LPHOPBHVSA-N 0 1 462.846 4.534 20 0 JJADMN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cc(F)ccc2F)cc1F ZINC001460393773 1067625733 /nfs/dbraw/zinc/62/57/33/1067625733.db2.gz SMMHZTFKZZPRPZ-RXVVDRJESA-N 0 1 450.501 4.995 20 0 JJADMN CC(C)(C)N(CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(Br)cc1 ZINC001460479896 1067642354 /nfs/dbraw/zinc/64/23/54/1067642354.db2.gz FGXWDNZEEPVJNW-UHFFFAOYSA-N 0 1 455.343 4.967 20 0 JJADMN COc1ccc(F)cc1-c1cncc(CN2C[C@]3(C)CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c1 ZINC001460558914 1067655809 /nfs/dbraw/zinc/65/58/09/1067655809.db2.gz OBJODRVJVQKKNE-WMPKNSHKSA-N 0 1 455.574 4.975 20 0 JJADMN Cc1ccc(-c2noc(CCCN3CC[C@@H](O)[C@H]3c3ccc(Br)cc3)n2)cc1F ZINC001460578149 1067659581 /nfs/dbraw/zinc/65/95/81/1067659581.db2.gz YKVOGSQEKZCKFG-TZIWHRDSSA-N 0 1 460.347 4.687 20 0 JJADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001460645045 1067684697 /nfs/dbraw/zinc/68/46/97/1067684697.db2.gz NDVCSMBCQXYURQ-QFIPXVFZSA-N 0 1 451.464 4.839 20 0 JJADMN CCc1c(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)cnn1-c1ccccc1Cl ZINC001460650879 1067687202 /nfs/dbraw/zinc/68/72/02/1067687202.db2.gz GEWJPBUGPAEEIH-UHFFFAOYSA-N 0 1 453.974 4.621 20 0 JJADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)c1 ZINC001460654105 1067688347 /nfs/dbraw/zinc/68/83/47/1067688347.db2.gz MASYCLJLCNNMOM-UHFFFAOYSA-N 0 1 454.571 4.875 20 0 JJADMN O=C(CN[C@@H](Cn1ccnc1)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001460689246 1067702341 /nfs/dbraw/zinc/70/23/41/1067702341.db2.gz HJTVBRWWYKBAKS-SFHVURJKSA-N 0 1 456.390 4.890 20 0 JJADMN CCOC(=O)c1c(NC(=O)CNC(C)(C)c2ccc(C(F)(F)F)cc2)sc2c1CCC2 ZINC001460700299 1067704319 /nfs/dbraw/zinc/70/43/19/1067704319.db2.gz NVUJACFJRNWWIA-UHFFFAOYSA-N 0 1 454.514 4.896 20 0 JJADMN C[C@@H](CC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)n1cc(Br)cn1 ZINC001460721214 1067708972 /nfs/dbraw/zinc/70/89/72/1067708972.db2.gz CINHJNMXHDQYRY-SJCJKPOMSA-N 0 1 450.768 4.880 20 0 JJADMN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001460721937 1067709423 /nfs/dbraw/zinc/70/94/23/1067709423.db2.gz DBTIAQZIJMPUTD-IRLDBZIGSA-N 0 1 452.986 4.798 20 0 JJADMN O[C@H]1C[C@](NCc2ccc(OCc3ccccc3F)nc2)(c2ccc(Br)cc2)C1 ZINC001460736987 1067712539 /nfs/dbraw/zinc/71/25/39/1067712539.db2.gz MWOFKCBSWJUFSH-UHGJSFDGSA-N 0 1 457.343 4.702 20 0 JJADMN COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(Cc1nc3c(s1)C(C)(C)CC(C)(C)C3)C2 ZINC001460775751 1067721079 /nfs/dbraw/zinc/72/10/79/1067721079.db2.gz SYJREAYQOLRQNH-KRXBEKAOSA-N 0 1 491.698 4.671 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](C[C@H](O)c1ccccc1Br)C2 ZINC001460777569 1067721579 /nfs/dbraw/zinc/72/15/79/1067721579.db2.gz GKAUGMOXKYTUHF-SIKLNZKXSA-N 0 1 453.421 4.596 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C[C@H](O)c1ccccc1Br)C2 ZINC001460777569 1067721585 /nfs/dbraw/zinc/72/15/85/1067721585.db2.gz GKAUGMOXKYTUHF-SIKLNZKXSA-N 0 1 453.421 4.596 20 0 JJADMN Cc1cccc(-c2noc(CC3CCN(CC(=O)[C@H]4CC[C@@H](C(F)(F)F)CC4)CC3)n2)n1 ZINC001460779272 1067721995 /nfs/dbraw/zinc/72/19/95/1067721995.db2.gz POGGGXPIDRZEJZ-HDICACEKSA-N 0 1 450.505 4.632 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779780 1067722231 /nfs/dbraw/zinc/72/22/31/1067722231.db2.gz YTXIAMSDZBSCCE-GNMOFYLKSA-N 0 1 455.643 4.856 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779780 1067722235 /nfs/dbraw/zinc/72/22/35/1067722235.db2.gz YTXIAMSDZBSCCE-GNMOFYLKSA-N 0 1 455.643 4.856 20 0 JJADMN O=C(CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460849290 1067734671 /nfs/dbraw/zinc/73/46/71/1067734671.db2.gz NANYLRVTLCEAMG-UHFFFAOYSA-N 0 1 453.465 4.509 20 0 JJADMN CCN1CCN(CC(C)(C)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001460972367 1067755012 /nfs/dbraw/zinc/75/50/12/1067755012.db2.gz SNKWABYPMYHPBB-UHFFFAOYSA-N 0 1 451.655 4.709 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(CCCCOc1ccccc1C(F)(F)F)CCO2 ZINC001460991849 1067758837 /nfs/dbraw/zinc/75/88/37/1067758837.db2.gz OCSHIPKQLCBYTJ-JOCHJYFZSA-N 0 1 458.521 4.576 20 0 JJADMN CCn1c(Br)c(Br)nc1CNCCc1ccc(C(F)(F)F)cc1 ZINC001461000047 1067760561 /nfs/dbraw/zinc/76/05/61/1067760561.db2.gz SEVFTMRWYMKVGG-UHFFFAOYSA-N 0 1 455.116 4.779 20 0 JJADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(Br)s3)o2)C1 ZINC001461012038 1067761997 /nfs/dbraw/zinc/76/19/97/1067761997.db2.gz OBSYGTBGHQJIEM-CQSZACIVSA-N 0 1 455.418 4.952 20 0 JJADMN COC(=O)[C@@H](C)Oc1ccccc1CNCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001461026880 1067764702 /nfs/dbraw/zinc/76/47/02/1067764702.db2.gz YULIRVMRPNAKKY-OAQYLSRUSA-N 0 1 455.558 4.829 20 0 JJADMN CCC1(CC)CN(c2nnc(CSc3ccccc3OC)n2CCN2CC=CCC2)CCS1 ZINC001546121187 1067772857 /nfs/dbraw/zinc/77/28/57/1067772857.db2.gz OEADZIVANZXCGT-UHFFFAOYSA-N 0 1 487.739 4.953 20 0 JJADMN CCCC[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461124273 1067786170 /nfs/dbraw/zinc/78/61/70/1067786170.db2.gz RUFGILJLCJSNCR-JOCHJYFZSA-N 0 1 458.002 4.999 20 0 JJADMN O[C@@](CNCc1ccc(Br)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461145520 1067788650 /nfs/dbraw/zinc/78/86/50/1067788650.db2.gz CULOFMIILWMGIZ-HNNXBMFYSA-N 0 1 453.096 4.751 20 0 JJADMN Cc1ccc(OCc2nc(CN[C@@H](C)c3cc(F)ccc3N3CCN(C)CC3)cs2)cc1 ZINC001461173963 1067792789 /nfs/dbraw/zinc/79/27/89/1067792789.db2.gz YZPFGJBYYYQCNI-IBGZPJMESA-N 0 1 454.615 4.772 20 0 JJADMN COc1cc(CNCc2ccnc(OC3CCOCC3)c2)ccc1OCc1ccc(F)cc1 ZINC001461197102 1067797483 /nfs/dbraw/zinc/79/74/83/1067797483.db2.gz MJHBDBGMEUXDJJ-UHFFFAOYSA-N 0 1 452.526 4.656 20 0 JJADMN CN(c1ccccc1)c1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC001461207711 1067799444 /nfs/dbraw/zinc/79/94/44/1067799444.db2.gz APOGKRVVFAIQHY-JOCHJYFZSA-N 0 1 452.505 4.736 20 0 JJADMN Cc1ccc(N2CCC[C@H](NCc3ccc(Br)c(Br)c3)C2=O)cc1 ZINC001461253945 1067811050 /nfs/dbraw/zinc/81/10/50/1067811050.db2.gz QWVTYPIFBCJZOX-SFHVURJKSA-N 0 1 452.190 4.805 20 0 JJADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC001461288695 1067818819 /nfs/dbraw/zinc/81/88/19/1067818819.db2.gz KARUFVOBOAVQSE-HYBUGGRVSA-N 0 1 451.611 4.836 20 0 JJADMN O=C(N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326406 1067829039 /nfs/dbraw/zinc/82/90/39/1067829039.db2.gz AGVFAPBRFLQQTN-VQTJNVASSA-N 0 1 455.332 4.587 20 0 JJADMN COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001461344383 1067834962 /nfs/dbraw/zinc/83/49/62/1067834962.db2.gz NWGNBGHOEMEEAR-CYVLTUHYSA-N 0 1 454.567 4.966 20 0 JJADMN COC(OC)c1ccc(F)c(CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001461381708 1067842819 /nfs/dbraw/zinc/84/28/19/1067842819.db2.gz XSOBFUJPUAPJQF-RBBKRZOGSA-N 0 1 452.929 4.750 20 0 JJADMN COc1c(Br)cc(CNc2cnccc2-n2cc(C)cn2)cc1Br ZINC001461409981 1067848970 /nfs/dbraw/zinc/84/89/70/1067848970.db2.gz RCYYLLLTHVJVGW-UHFFFAOYSA-N 0 1 452.150 4.721 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2csc(-c3ccccc3)n2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461416593 1067850903 /nfs/dbraw/zinc/85/09/03/1067850903.db2.gz FBGOKWAMYHOYTL-ROUUACIJSA-N 0 1 477.483 4.626 20 0 JJADMN O=C(N[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461417589 1067851207 /nfs/dbraw/zinc/85/12/07/1067851207.db2.gz HYCXDPREDFBXRJ-HAGHYFMRSA-N 0 1 468.878 4.646 20 0 JJADMN CCOc1cc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc(Cl)c1OC ZINC001461419262 1067852127 /nfs/dbraw/zinc/85/21/27/1067852127.db2.gz ZOJZHUUNXRVPHV-MRXNPFEDSA-N 0 1 456.892 4.657 20 0 JJADMN Cc1cc(N2CC[C@H](NCc3ccc(Br)cc3C)C2=O)ccc1Br ZINC001461420497 1067852153 /nfs/dbraw/zinc/85/21/53/1067852153.db2.gz OWXUPZZWTHFKBO-SFHVURJKSA-N 0 1 452.190 4.724 20 0 JJADMN O=C(N[C@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461419853 1067852328 /nfs/dbraw/zinc/85/23/28/1067852328.db2.gz QFYRVRHCRDXKJI-SFTDATJTSA-N 0 1 480.477 4.741 20 0 JJADMN COc1cc(Br)ccc1CNCc1c[nH]nc1-c1ccc(Br)cc1 ZINC001461452380 1067860245 /nfs/dbraw/zinc/86/02/45/1067860245.db2.gz GGFNRZOVSJZRDM-UHFFFAOYSA-N 0 1 451.162 4.900 20 0 JJADMN CC(C)(C)OC(=O)N1CCN([C@H](CNCc2ccc(Cl)c(Cl)c2)C(F)(F)F)CC1 ZINC001461456696 1067861391 /nfs/dbraw/zinc/86/13/91/1067861391.db2.gz UAMSHDFXVSJNSE-MRXNPFEDSA-N 0 1 456.336 4.567 20 0 JJADMN COc1cc(I)c(Cl)cc1CNCc1cnc2c(F)cccc2c1 ZINC001461464544 1067863154 /nfs/dbraw/zinc/86/31/54/1067863154.db2.gz WSHIDYXKFPFKKJ-UHFFFAOYSA-N 0 1 456.686 4.930 20 0 JJADMN C[C@@H](c1ccccc1F)N1CCC[C@H](NCC2=Cc3cc(Br)ccc3OC2)C1=O ZINC001461531667 1067882548 /nfs/dbraw/zinc/88/25/48/1067882548.db2.gz LJAHSSVYVRWXTR-BTYIYWSLSA-N 0 1 459.359 4.706 20 0 JJADMN C[C@@H](c1ccccc1F)N1CCC[C@@H](NCC2=Cc3cc(Br)ccc3OC2)C1=O ZINC001461531681 1067882636 /nfs/dbraw/zinc/88/26/36/1067882636.db2.gz LJAHSSVYVRWXTR-YCRPNKLZSA-N 0 1 459.359 4.706 20 0 JJADMN COCO[C@H](C)c1cc(F)c(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1Br ZINC001461553181 1067887117 /nfs/dbraw/zinc/88/71/17/1067887117.db2.gz MNRHDZWGAXBHJZ-SZNDQCEHSA-N 0 1 457.359 4.801 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CCN1Cc1ccccc1 ZINC001461594565 1067896403 /nfs/dbraw/zinc/89/64/03/1067896403.db2.gz DRIJLCKKTIOWFL-QFIPXVFZSA-N 0 1 452.986 4.692 20 0 JJADMN CC(C)[C@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CCN1Cc1ccccc1 ZINC001461597464 1067897767 /nfs/dbraw/zinc/89/77/67/1067897767.db2.gz KCIMVTQZSAGTKG-HSZRJFAPSA-N 0 1 452.396 4.980 20 0 JJADMN Brc1ccc2c(c1)[C@H](NCc1cnc3ccc(Br)cn13)CSC2 ZINC001461613853 1067902225 /nfs/dbraw/zinc/90/22/25/1067902225.db2.gz AXEROZVMGTYIRX-MRXNPFEDSA-N 0 1 453.203 4.937 20 0 JJADMN CCCOc1c(Br)cc(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1OCC ZINC001461644966 1067908513 /nfs/dbraw/zinc/90/85/13/1067908513.db2.gz HTHKATTWQYGZOC-IBGZPJMESA-N 0 1 453.421 4.660 20 0 JJADMN Cc1cc(Br)c(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1Br ZINC001461654053 1067910987 /nfs/dbraw/zinc/91/09/87/1067910987.db2.gz DCJMNAWGUWCMMV-LBPRGKRZSA-N 0 1 450.215 4.865 20 0 JJADMN CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CCOC)[C@@H](C)C2)CCCC1 ZINC001546126382 1067921239 /nfs/dbraw/zinc/92/12/39/1067921239.db2.gz VVSSDOZNUQEKIW-LEWJYISDSA-N 0 1 473.637 4.685 20 0 JJADMN CCN1CCN(c2ccc(NCc3csc(COc4ccc(OC)cc4)n3)cc2F)CC1 ZINC001461705976 1067922276 /nfs/dbraw/zinc/92/22/76/1067922276.db2.gz KPFCSNAZZDLBRU-UHFFFAOYSA-N 0 1 456.587 4.624 20 0 JJADMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCCOc1cccc(Br)c1 ZINC001461725269 1067926299 /nfs/dbraw/zinc/92/62/99/1067926299.db2.gz VPLFOJHZTOJFCA-HSZRJFAPSA-N 0 1 459.428 4.977 20 0 JJADMN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001461748650 1067929928 /nfs/dbraw/zinc/92/99/28/1067929928.db2.gz RKJJHMXLCAMRBR-NSHDSACASA-N 0 1 455.964 4.658 20 0 JJADMN O=C(Nc1nc2ccc(I)cc2[nH]1)c1sc2ncccc2c1Cl ZINC001461772404 1067934260 /nfs/dbraw/zinc/93/42/60/1067934260.db2.gz QDHJQMDWEMAABX-UHFFFAOYSA-N 0 1 454.680 4.683 20 0 JJADMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC001461772220 1067934285 /nfs/dbraw/zinc/93/42/85/1067934285.db2.gz OXALYXDPNRJKFI-CQSZACIVSA-N 0 1 455.683 4.617 20 0 JJADMN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC001461782821 1067936491 /nfs/dbraw/zinc/93/64/91/1067936491.db2.gz QCBQNQSMMWCSGP-WOJBJXKFSA-N 0 1 463.022 4.682 20 0 JJADMN Brc1cc(Br)cc(CN[C@H]2C[C@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835436 1067944130 /nfs/dbraw/zinc/94/41/30/1067944130.db2.gz IIPLYQARAKZUAL-HKUYNNGSSA-N 0 1 453.174 4.984 20 0 JJADMN COc1cc(OC)cc(C(=O)N2CCN(CCCCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001461840770 1067944909 /nfs/dbraw/zinc/94/49/09/1067944909.db2.gz BJKFKMLVIIZMGD-UHFFFAOYSA-N 0 1 450.501 4.503 20 0 JJADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC001461874037 1067952173 /nfs/dbraw/zinc/95/21/73/1067952173.db2.gz LFDMVPDKMLBDEB-FCHUYYIVSA-N 0 1 453.608 4.979 20 0 JJADMN COC(=O)c1ccc(CN(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001461878864 1067952977 /nfs/dbraw/zinc/95/29/77/1067952977.db2.gz AKXKJSPQLQTHKF-UHFFFAOYSA-N 0 1 455.393 4.503 20 0 JJADMN O=C(NC[C@H]1CCCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1)c1ccccc1 ZINC001461915715 1067960671 /nfs/dbraw/zinc/96/06/71/1067960671.db2.gz KDOYOSAYQXATAF-HXUWFJFHSA-N 0 1 456.512 4.592 20 0 JJADMN CCN(Cc1cccc(S(N)(=O)=O)c1)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001461972906 1067972380 /nfs/dbraw/zinc/97/23/80/1067972380.db2.gz XZQDLDZXNWBHQD-UHFFFAOYSA-N 0 1 452.620 4.860 20 0 JJADMN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(N(C)CCOC)nc1 ZINC001461993244 1067976657 /nfs/dbraw/zinc/97/66/57/1067976657.db2.gz GFTZEATZSHARPM-JOCHJYFZSA-N 0 1 450.549 4.674 20 0 JJADMN CN(C)C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC001462047870 1067989359 /nfs/dbraw/zinc/98/93/59/1067989359.db2.gz FIVOQCLUFIYYCV-SFHVURJKSA-N 0 1 454.785 4.806 20 0 JJADMN CCO[C@@H]1C[C@H](NCc2cc(Cl)ccc2I)[C@H]1Oc1ccccc1 ZINC001462117748 1068007708 /nfs/dbraw/zinc/00/77/08/1068007708.db2.gz OENBFEVRUXEKAM-IPMKNSEASA-N 0 1 457.739 4.659 20 0 JJADMN CCCN(Cc1cn(-c2ccccc2Br)nn1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001462139904 1068013892 /nfs/dbraw/zinc/01/38/92/1068013892.db2.gz WCISETOTYCBKSC-QGZVFWFLSA-N 0 1 456.388 4.659 20 0 JJADMN CC(C)(C)OC(=O)NCCN1CCC(Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1 ZINC001462152457 1068017113 /nfs/dbraw/zinc/01/71/13/1068017113.db2.gz WFIYDNFLRRDMHZ-UHFFFAOYSA-N 0 1 451.917 4.682 20 0 JJADMN CCOc1cc(CNCc2ccc3c(n2)CCCC3)ccc1OCc1ccc(C(=O)OC)o1 ZINC001462155425 1068018197 /nfs/dbraw/zinc/01/81/97/1068018197.db2.gz OHAYRKODXCPFOG-UHFFFAOYSA-N 0 1 450.535 4.608 20 0 JJADMN O=C(Nc1n[nH]c2cnc(Br)cc21)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC001462200350 1068028228 /nfs/dbraw/zinc/02/82/28/1068028228.db2.gz PTTJBMFPNGBOFC-GOSISDBHSA-N 0 1 459.250 4.757 20 0 JJADMN COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(N4CCCCCC4)cc3C)CC2)cc1 ZINC001462223190 1068031699 /nfs/dbraw/zinc/03/16/99/1068031699.db2.gz TXNMWCRPFAXQAQ-UHFFFAOYSA-N 0 1 457.640 4.649 20 0 JJADMN COc1cc(CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OCC(F)F ZINC001462228630 1068033418 /nfs/dbraw/zinc/03/34/18/1068033418.db2.gz RNNHCMIAKLMHME-QGZVFWFLSA-N 0 1 458.546 4.617 20 0 JJADMN COC(=O)c1ccccc1-c1ccc(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267963 1068041099 /nfs/dbraw/zinc/04/10/99/1068041099.db2.gz NCQBTNXMFOLEMO-HXOBKFHXSA-N 0 1 450.510 4.714 20 0 JJADMN COC(=O)[C@@H](C)Oc1ccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC001462280786 1068042910 /nfs/dbraw/zinc/04/29/10/1068042910.db2.gz GULDXVAWNOYZFR-IIBYNOLFSA-N 0 1 451.485 4.998 20 0 JJADMN COc1ccc(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294334 1068045985 /nfs/dbraw/zinc/04/59/85/1068045985.db2.gz KJIMDJWBRHRFLS-OFNKIYASSA-N 0 1 453.583 4.501 20 0 JJADMN CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(Cc3ccc(-c4ccc(F)cc4)o3)C2)nn1 ZINC001462311213 1068048878 /nfs/dbraw/zinc/04/88/78/1068048878.db2.gz DMPPQWIOLZSLGC-FQEVSTJZSA-N 0 1 455.534 4.539 20 0 JJADMN Clc1nc(N2CCOCC2)sc1CN1CCC[C@@H]1Cc1ccccc1Br ZINC001462355259 1068058464 /nfs/dbraw/zinc/05/84/64/1068058464.db2.gz LPGPWCPNGBGSPV-OAHLLOKOSA-N 0 1 456.837 4.603 20 0 JJADMN CCOc1ccc(-c2nc(C(=O)Nc3ccc(N4CCN(CC)CC4)c(F)c3)cs2)cc1 ZINC001462357976 1068058831 /nfs/dbraw/zinc/05/88/31/1068058831.db2.gz OUNANCJHPBZWOE-UHFFFAOYSA-N 0 1 454.571 4.742 20 0 JJADMN COCC(C)(C)N1CCN(Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)CC1 ZINC001462364716 1068060727 /nfs/dbraw/zinc/06/07/27/1068060727.db2.gz HKWYOUQJGAULAU-UHFFFAOYSA-N 0 1 452.574 4.655 20 0 JJADMN COc1cc(CNC[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c(Br)cc1O ZINC001462410985 1068068655 /nfs/dbraw/zinc/06/86/55/1068068655.db2.gz MPOPTOJUUMWIER-OAHLLOKOSA-N 0 1 459.425 4.973 20 0 JJADMN CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462426927 1068072414 /nfs/dbraw/zinc/07/24/14/1068072414.db2.gz MDXYYXQKEAONSK-HKUYNNGSSA-N 0 1 458.883 4.914 20 0 JJADMN CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001462426927 1068072429 /nfs/dbraw/zinc/07/24/29/1068072429.db2.gz MDXYYXQKEAONSK-HKUYNNGSSA-N 0 1 458.883 4.914 20 0 JJADMN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462482207 1068082375 /nfs/dbraw/zinc/08/23/75/1068082375.db2.gz BLBKUHSGRRETNW-CYBMUJFWSA-N 0 1 459.871 4.507 20 0 JJADMN COC(=O)c1ccc(CN[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001462486927 1068083676 /nfs/dbraw/zinc/08/36/76/1068083676.db2.gz VTQCITAMBLDDPN-SFHVURJKSA-N 0 1 459.306 4.647 20 0 JJADMN CN(C)c1nc(CN2CC[C@@H]3CSC[C@@H]3C2)c(Cl)n1-c1ccc(Br)cc1 ZINC001462521924 1068091033 /nfs/dbraw/zinc/09/10/33/1068091033.db2.gz KEZGXWVEIPKEEB-KGLIPLIRSA-N 0 1 455.853 4.539 20 0 JJADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC001462571994 1068101163 /nfs/dbraw/zinc/10/11/63/1068101163.db2.gz SHLYGVLHFDVJFB-UHFFFAOYSA-N 0 1 452.561 4.928 20 0 JJADMN COC(=O)c1ccc(CNC[C@H]2CCCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462649928 1068123973 /nfs/dbraw/zinc/12/39/73/1068123973.db2.gz VYZDLCICIOBRNL-QGZVFWFLSA-N 0 1 455.393 4.505 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC001462675598 1068128575 /nfs/dbraw/zinc/12/85/75/1068128575.db2.gz KPAQAOVUNISWPN-HNNXBMFYSA-N 0 1 454.402 4.701 20 0 JJADMN O=C(COc1ccc(Cl)cc1Br)Nc1nc2cccc(Br)c2[nH]1 ZINC001462709287 1068138937 /nfs/dbraw/zinc/13/89/37/1068138937.db2.gz LJLQQMPHBYTFLG-UHFFFAOYSA-N 0 1 459.525 4.759 20 0 JJADMN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CN4CCCC4)c(C(F)(F)F)c3)CC2=O)cc1C ZINC001462728443 1068145143 /nfs/dbraw/zinc/14/51/43/1068145143.db2.gz JKITXBZVVNNPFC-IBGZPJMESA-N 0 1 459.512 4.910 20 0 JJADMN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(CN4CCCC4)c(C(F)(F)F)c3)CC2=O)cc1C ZINC001462728475 1068145158 /nfs/dbraw/zinc/14/51/58/1068145158.db2.gz JKITXBZVVNNPFC-LJQANCHMSA-N 0 1 459.512 4.910 20 0 JJADMN O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734532 1068147696 /nfs/dbraw/zinc/14/76/96/1068147696.db2.gz RKXRTRAALQLONC-RKOGDMNLSA-N 0 1 452.907 4.672 20 0 JJADMN CCN(CC)[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC001462737718 1068149468 /nfs/dbraw/zinc/14/94/68/1068149468.db2.gz CUFIFLWEWNWKJW-LJQANCHMSA-N 0 1 459.837 4.605 20 0 JJADMN Cc1nc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)sc1Br ZINC001462855050 1068192537 /nfs/dbraw/zinc/19/25/37/1068192537.db2.gz SVZBJCRHIKDCQO-HNNXBMFYSA-N 0 1 457.802 4.935 20 0 JJADMN Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC001462890609 1068204537 /nfs/dbraw/zinc/20/45/37/1068204537.db2.gz WTEWIMNGYQWUQU-FQEVSTJZSA-N 0 1 451.430 4.509 20 0 JJADMN O=S(=O)(NCc1ccccc1Oc1ccccc1)c1cc(F)c(Br)cc1F ZINC001462953288 1068227584 /nfs/dbraw/zinc/22/75/84/1068227584.db2.gz RIFHEUQHCIDRSZ-UHFFFAOYSA-N 0 1 454.292 4.998 20 0 JJADMN CCCN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1csnc1-c1ccccc1 ZINC001462981180 1068237672 /nfs/dbraw/zinc/23/76/72/1068237672.db2.gz HFWHGEDPOLTCOL-JOCHJYFZSA-N 0 1 455.649 4.875 20 0 JJADMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1 ZINC001463094732 1068284693 /nfs/dbraw/zinc/28/46/93/1068284693.db2.gz HOCTXCKPJNBGCZ-GOSISDBHSA-N 0 1 455.555 4.517 20 0 JJADMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1 ZINC001463094735 1068284769 /nfs/dbraw/zinc/28/47/69/1068284769.db2.gz HOCTXCKPJNBGCZ-SFHVURJKSA-N 0 1 455.555 4.517 20 0 JJADMN CN1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC001463152164 1068305068 /nfs/dbraw/zinc/30/50/68/1068305068.db2.gz BPFAXPNNIZHSIA-YVEFUNNKSA-N 0 1 452.951 4.782 20 0 JJADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCN1Cc1ccccc1 ZINC001463231579 1068329482 /nfs/dbraw/zinc/32/94/82/1068329482.db2.gz OFNMIXSYIZJZHT-PKOBYXMFSA-N 0 1 457.665 4.925 20 0 JJADMN C[S@@](=O)(=NS(=O)(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1ccccc1 ZINC001463290981 1068346336 /nfs/dbraw/zinc/34/63/36/1068346336.db2.gz CHSUPEBYRZCQDS-NDEPHWFRSA-N 0 1 452.960 4.637 20 0 JJADMN CCOC(=O)c1cccc2nc(NC(=O)c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c21 ZINC001463313737 1068352813 /nfs/dbraw/zinc/35/28/13/1068352813.db2.gz KZABFGFPGHBWDS-UHFFFAOYSA-N 0 1 451.429 4.946 20 0 JJADMN CCc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3ccc(OC)c(Cl)c3Cl)n2)cc1 ZINC001463321309 1068355629 /nfs/dbraw/zinc/35/56/29/1068355629.db2.gz BNYQWCWIUCITBC-LLVKDONJSA-N 0 1 456.351 4.654 20 0 JJADMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)C1(c2cccc(Cl)c2)CCOCC1 ZINC001463333865 1068359815 /nfs/dbraw/zinc/35/98/15/1068359815.db2.gz FXYRGFFGEFOQJN-UHFFFAOYSA-N 0 1 452.711 4.805 20 0 JJADMN COc1cc(Br)cc2sc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)nc21 ZINC001463346624 1068366423 /nfs/dbraw/zinc/36/64/23/1068366423.db2.gz JZTTVMNUSUUBNI-UWVGGRQHSA-N 0 1 453.280 4.754 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1ccc(CN3CCCCC3)o1)CC2 ZINC001463449741 1068401035 /nfs/dbraw/zinc/40/10/35/1068401035.db2.gz FAFQRSBYDZVZRA-HXUWFJFHSA-N 0 1 459.631 4.813 20 0 JJADMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC001463466287 1068410154 /nfs/dbraw/zinc/41/01/54/1068410154.db2.gz RMOAQUXDMSDVMU-QFIPXVFZSA-N 0 1 452.620 4.912 20 0 JJADMN CCCN1CCCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463564921 1068446508 /nfs/dbraw/zinc/44/65/08/1068446508.db2.gz PKHNDBDFUKGEDY-FQEVSTJZSA-N 0 1 450.004 4.652 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC001463569074 1068449820 /nfs/dbraw/zinc/44/98/20/1068449820.db2.gz BXXHRQFCNAQHJB-LJQANCHMSA-N 0 1 459.468 4.936 20 0 JJADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653496 1068482368 /nfs/dbraw/zinc/48/23/68/1068482368.db2.gz XYSJUJWKWBLYNF-QWRGUYRKSA-N 0 1 459.519 4.500 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2cc3c(cccc3Br)[nH]2)N2CCCCC2)cc1 ZINC001463660964 1068486285 /nfs/dbraw/zinc/48/62/85/1068486285.db2.gz QHOBRMUGKJIURS-JOCHJYFZSA-N 0 1 456.384 4.896 20 0 JJADMN COc1ccc([C@@H](CNC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 ZINC001463663093 1068487048 /nfs/dbraw/zinc/48/70/48/1068487048.db2.gz XRFLJCUWLDEFOA-XZOQPEGZSA-N 0 1 459.631 4.518 20 0 JJADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001463674034 1068490400 /nfs/dbraw/zinc/49/04/00/1068490400.db2.gz AXTHZKNBAAMSFW-UHFFFAOYSA-N 0 1 458.249 4.643 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccoc3C3CC3)ccc2OC)cc1 ZINC001463698625 1068497825 /nfs/dbraw/zinc/49/78/25/1068497825.db2.gz HHXYMEKWVAEJDE-UHFFFAOYSA-N 0 1 456.520 4.617 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3c(C)cc(C)cc3C)ccc2OC)cc1 ZINC001463697819 1068497837 /nfs/dbraw/zinc/49/78/37/1068497837.db2.gz CLRZYZWNBLJFIU-UHFFFAOYSA-N 0 1 454.548 4.682 20 0 JJADMN CC(C)(C)CC(C)(C)N1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC001463706051 1068500807 /nfs/dbraw/zinc/50/08/07/1068500807.db2.gz KKKPPJATMHEJHB-UHFFFAOYSA-N 0 1 451.858 4.624 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC001463722343 1068504829 /nfs/dbraw/zinc/50/48/29/1068504829.db2.gz DRGLAKYGHHXRGO-RUZDIDTESA-N 0 1 459.590 4.750 20 0 JJADMN CC(C)Oc1ccc(S(=O)(=O)NCC2(N(C)Cc3ccccc3)CCC2)c2ccccc12 ZINC001463748267 1068512053 /nfs/dbraw/zinc/51/20/53/1068512053.db2.gz USWUCVPNWVVWBJ-UHFFFAOYSA-N 0 1 452.620 4.960 20 0 JJADMN COc1c(C)cc(S(=O)(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)cc1C ZINC001463755388 1068513991 /nfs/dbraw/zinc/51/39/91/1068513991.db2.gz MVXHNOJTUGLBSJ-XMMPIXPASA-N 0 1 458.668 4.666 20 0 JJADMN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001463793074 1068525777 /nfs/dbraw/zinc/52/57/77/1068525777.db2.gz BEFBTFLKUTWMDE-UHFFFAOYSA-N 0 1 452.039 4.752 20 0 JJADMN CC(C)C[C@H](CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)NC(=O)OC(C)(C)C ZINC001463797480 1068527973 /nfs/dbraw/zinc/52/79/73/1068527973.db2.gz WSTVOEXTVVKYSQ-OAQYLSRUSA-N 0 1 452.039 4.750 20 0 JJADMN CCN1C(=O)C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)[C@H]1c1cccc(C)c1 ZINC001463832854 1068540677 /nfs/dbraw/zinc/54/06/77/1068540677.db2.gz AZPPZKIKXNDHMX-UMXIMWEHSA-N 0 1 454.014 4.511 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1(C)C ZINC001463838712 1068542941 /nfs/dbraw/zinc/54/29/41/1068542941.db2.gz RNSZEKHLFJYINS-DFQSSKMNSA-N 0 1 450.023 4.533 20 0 JJADMN Cc1cc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1C(C)C ZINC001463839091 1068543541 /nfs/dbraw/zinc/54/35/41/1068543541.db2.gz KOADKCUGKCTZGL-UHFFFAOYSA-N 0 1 450.549 4.647 20 0 JJADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001463839351 1068543775 /nfs/dbraw/zinc/54/37/75/1068543775.db2.gz MIAZISIJQBVYGF-WWPVKYPJSA-N 0 1 451.577 4.940 20 0 JJADMN COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1O ZINC001463966047 1068577268 /nfs/dbraw/zinc/57/72/68/1068577268.db2.gz OGLJZJAEVSZCEX-QFIPXVFZSA-N 0 1 455.436 4.744 20 0 JJADMN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCCCN1CCN(c2ccccc2)CC1 ZINC001464094232 1068612638 /nfs/dbraw/zinc/61/26/38/1068612638.db2.gz XTLOFEGDYBXGMX-FXBPSFAMSA-N 0 1 451.920 4.614 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C[C@@H](C)O1 ZINC001464122180 1068622369 /nfs/dbraw/zinc/62/23/69/1068622369.db2.gz RCULXXQJLAKBNP-QZTJIDSGSA-N 0 1 459.512 4.743 20 0 JJADMN CCc1sc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1Br ZINC001464122068 1068622498 /nfs/dbraw/zinc/62/24/98/1068622498.db2.gz OQFKTIOHVVSPHP-HUUCEWRRSA-N 0 1 451.430 4.612 20 0 JJADMN O=C(Nc1cccc(OC(F)F)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC001464216844 1068661137 /nfs/dbraw/zinc/66/11/37/1068661137.db2.gz XWACQTVAAFLXRM-UHFFFAOYSA-N 0 1 452.866 4.995 20 0 JJADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001464230188 1068666388 /nfs/dbraw/zinc/66/63/88/1068666388.db2.gz WASLZUMLHQTAMZ-HNNXBMFYSA-N 0 1 450.004 4.744 20 0 JJADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001464291268 1068693480 /nfs/dbraw/zinc/69/34/80/1068693480.db2.gz KLSJFRRMJXVMBS-UHFFFAOYSA-N 0 1 456.248 4.848 20 0 JJADMN O=C(N[C@H](CCc1ccccc1)c1ccccc1)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC001464292385 1068694369 /nfs/dbraw/zinc/69/43/69/1068694369.db2.gz FVSYTEDBXHKVPL-FTJBHMTQSA-N 0 1 458.606 4.508 20 0 JJADMN CC(C)CC[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001464299096 1068696998 /nfs/dbraw/zinc/69/69/98/1068696998.db2.gz NZBHRHQXWNHGCG-PKTZIBPZSA-N 0 1 459.034 4.964 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1ccccc1NC(=O)OC(C)(C)C)N1CCCCC1 ZINC001464333065 1068709568 /nfs/dbraw/zinc/70/95/68/1068709568.db2.gz MDSHRSAHZGBWDE-QFIPXVFZSA-N 0 1 453.583 4.999 20 0 JJADMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 ZINC001464371934 1068721539 /nfs/dbraw/zinc/72/15/39/1068721539.db2.gz OVYNDCKNIIQWQQ-UHFFFAOYSA-N 0 1 450.347 4.937 20 0 JJADMN CCC1(Cn2c(CC(C)(C)C)nnc2N2CCN(CCCOCC(F)(F)F)CC2)CCCC1 ZINC001546146570 1068728298 /nfs/dbraw/zinc/72/82/98/1068728298.db2.gz WELLEEUYRLCIIQ-UHFFFAOYSA-N 0 1 473.628 4.928 20 0 JJADMN Nc1c(Cl)c(Cl)ccc1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC001464421766 1068739838 /nfs/dbraw/zinc/73/98/38/1068739838.db2.gz WDSFJICRKONBNR-UHFFFAOYSA-N 0 1 456.377 4.545 20 0 JJADMN CC(C)OCc1ccc(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001464422882 1068740411 /nfs/dbraw/zinc/74/04/11/1068740411.db2.gz YCWAWFWLDQOXJZ-HSZRJFAPSA-N 0 1 455.599 4.575 20 0 JJADMN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1cccc(I)c1O ZINC001464438904 1068746095 /nfs/dbraw/zinc/74/60/95/1068746095.db2.gz RTNGYPNWVKECFB-UHFFFAOYSA-N 0 1 455.723 4.892 20 0 JJADMN CCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@@H](C)c1cc2ccccc2o1 ZINC001464450250 1068749952 /nfs/dbraw/zinc/74/99/52/1068749952.db2.gz KQPCSQNLLFNDRW-KRWDZBQOSA-N 0 1 456.564 4.536 20 0 JJADMN O=S(=O)(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cc(Cl)c(Br)cc1F ZINC001464478749 1068760932 /nfs/dbraw/zinc/76/09/32/1068760932.db2.gz UGAJSNCXHCPGGO-MEBBXXQBSA-N 0 1 454.695 4.569 20 0 JJADMN CCCCOc1ncccc1CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001464480148 1068761397 /nfs/dbraw/zinc/76/13/97/1068761397.db2.gz CMMMGVYQZWTLSJ-UHFFFAOYSA-N 0 1 459.955 4.863 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC001464515885 1068770633 /nfs/dbraw/zinc/77/06/33/1068770633.db2.gz RVEZSYKTYZAPAF-UHFFFAOYSA-N 0 1 456.608 4.988 20 0 JJADMN Cc1n[nH]c(I)c1C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC001464531495 1068774093 /nfs/dbraw/zinc/77/40/93/1068774093.db2.gz NHNYRRKRERJXPN-CYBMUJFWSA-N 0 1 451.333 4.788 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1 ZINC001464559207 1068781969 /nfs/dbraw/zinc/78/19/69/1068781969.db2.gz XUKFIUKVMHBSHG-SFHVURJKSA-N 0 1 453.543 4.541 20 0 JJADMN CCN(CC)[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1 ZINC001464559197 1068781996 /nfs/dbraw/zinc/78/19/96/1068781996.db2.gz XUKFIUKVMHBSHG-GOSISDBHSA-N 0 1 453.543 4.541 20 0 JJADMN Cc1csc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1I ZINC001464580833 1068790455 /nfs/dbraw/zinc/79/04/55/1068790455.db2.gz DHWQEHVLEBEIKJ-INIZCTEOSA-N 0 1 454.377 4.536 20 0 JJADMN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001464600326 1068795839 /nfs/dbraw/zinc/79/58/39/1068795839.db2.gz CMRMDNOQZIJMMX-BKMJKUGQSA-N 0 1 450.623 4.546 20 0 JJADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)C1 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KBEJYYBZQQVJHY-DEOSSOPVSA-N 0 1 469.967 4.854 20 0 JJADMN FC1(F)CCN(c2nc(Cl)cc(Cc3ccccc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906126 721717547 /nfs/dbraw/zinc/71/75/47/721717547.db2.gz KBEJYYBZQQVJHY-XMMPIXPASA-N 0 1 469.967 4.854 20 0 JJADMN Fc1cccc(Oc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)c1 ZINC001164908725 721719009 /nfs/dbraw/zinc/71/90/09/721719009.db2.gz YUSCYFLTRUXKPV-HSZRJFAPSA-N 0 1 455.484 4.541 20 0 JJADMN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905622 721720222 /nfs/dbraw/zinc/72/02/22/721720222.db2.gz IBXYNJYIKHWXPI-GOSISDBHSA-N 0 1 478.321 4.547 20 0 JJADMN Fc1cccc(F)c1-c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164913737 721730419 /nfs/dbraw/zinc/73/04/19/721730419.db2.gz XDDRNBMSTBVWPG-QHCPKHFHSA-N 0 1 457.475 4.555 20 0 JJADMN COc1ccc(Cc2c(C)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164910756 721734167 /nfs/dbraw/zinc/73/41/67/721734167.db2.gz HRZYFEGVLACLGC-HHHXNRCGSA-N 0 1 493.602 4.826 20 0 JJADMN 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COC(=O)c1cc2[nH]c(NC(=O)c3ccc(C)c(Cl)c3Cl)nc2c(Br)c1 ZINC001440027686 1065904288 /nfs/dbraw/zinc/90/42/88/1065904288.db2.gz JEMZPWCOMRKGER-UHFFFAOYSA-N 0 1 457.111 4.980 20 0 JJADMN C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H]1NC(=O)C(F)(F)F ZINC001440198683 1065923137 /nfs/dbraw/zinc/92/31/37/1065923137.db2.gz DKRACDNFGIWPFN-RNCFNFMXSA-N 0 1 466.312 4.646 20 0 JJADMN Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384586 1065936052 /nfs/dbraw/zinc/93/60/52/1065936052.db2.gz KBCUKYQULLNIMO-UZLBHIALSA-N 0 1 450.004 4.508 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Br)cc1Cl)N1CCCC1 ZINC001440386891 1065936669 /nfs/dbraw/zinc/93/66/69/1065936669.db2.gz KFROZFSEUCHZQR-LJQANCHMSA-N 0 1 451.792 4.607 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)Cc1c(Cl)cccc1Br)N1CCCC1 ZINC001440391029 1065937594 /nfs/dbraw/zinc/93/75/94/1065937594.db2.gz RDGMBIOCNMGYKC-IBGZPJMESA-N 0 1 451.792 4.607 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\CCc2ccccc2)ccc1C ZINC001440483881 1065942923 /nfs/dbraw/zinc/94/29/23/1065942923.db2.gz KFLULIHOYBJVLG-DHDCSXOGSA-N 0 1 450.560 4.932 20 0 JJADMN CC1(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CCCOCC(F)(F)F)CC2)CC1 ZINC001360833196 1065944837 /nfs/dbraw/zinc/94/48/37/1065944837.db2.gz TXVRSPXNBGMEFB-UHFFFAOYSA-N 0 1 485.982 4.880 20 0 JJADMN CN(C)[C@H](CNC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1cccs1 ZINC001440528633 1065947653 /nfs/dbraw/zinc/94/76/53/1065947653.db2.gz HFOXGSGXWZRHSD-PZJWPPBQSA-N 0 1 457.640 4.725 20 0 JJADMN COc1ccc(NC(=O)Cc2ccsc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440590863 1065952683 /nfs/dbraw/zinc/95/26/83/1065952683.db2.gz CHTZWLRLFWXXAF-UHFFFAOYSA-N 0 1 450.969 4.701 20 0 JJADMN COc1ccc(NC(=O)[C@H](C)CC(F)(F)F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440594985 1065953054 /nfs/dbraw/zinc/95/30/54/1065953054.db2.gz JNHVMLXLCIFLIK-LLVKDONJSA-N 0 1 450.866 4.676 20 0 JJADMN CC(C)CN1CCO[C@@H](CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)C1 ZINC001440676365 1065963077 /nfs/dbraw/zinc/96/30/77/1065963077.db2.gz NMANMLVRBMBLOQ-SFHVURJKSA-N 0 1 456.583 4.951 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2cc3c([nH]2)c(Cl)ccc3Br)N(C)C)c1 ZINC001440677094 1065963693 /nfs/dbraw/zinc/96/36/93/1065963693.db2.gz SSXFBHFAVXSLFA-SFHVURJKSA-N 0 1 450.764 4.625 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)N(C)C)c1 ZINC001440679892 1065964419 /nfs/dbraw/zinc/96/44/19/1065964419.db2.gz XDHCWHGRHYJOFD-AREMUKBSSA-N 0 1 454.574 4.889 20 0 JJADMN C[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC001440714192 1065970489 /nfs/dbraw/zinc/97/04/89/1065970489.db2.gz OFLDZAWLYNGQCE-NTKDMRAZSA-N 0 1 451.014 4.622 20 0 JJADMN O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001440715670 1065970829 /nfs/dbraw/zinc/97/08/29/1065970829.db2.gz YZEBXOLTPSZHII-UHFFFAOYSA-N 0 1 453.322 4.863 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001440729580 1065971652 /nfs/dbraw/zinc/97/16/52/1065971652.db2.gz VLMHOPLVPHRHAB-JOCHJYFZSA-N 0 1 458.002 4.640 20 0 JJADMN C[C@@H]1CN(CCCNC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001440821700 1065981365 /nfs/dbraw/zinc/98/13/65/1065981365.db2.gz AYINVYKRSHEEFT-JKSBSHDWSA-N 0 1 451.394 4.729 20 0 JJADMN Cc1ccc(CN2CCCN(C(=O)c3ccc(Sc4ccccc4Cl)nn3)CC2)cc1 ZINC001440863752 1065984975 /nfs/dbraw/zinc/98/49/75/1065984975.db2.gz KUXJQOFRRAGQAZ-UHFFFAOYSA-N 0 1 453.011 4.938 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)c1nc(C(C)C)ncc1Br)c1ccccc1Cl ZINC001440872752 1065987486 /nfs/dbraw/zinc/98/74/86/1065987486.db2.gz FBPIPOOLXCRSIT-KRWDZBQOSA-N 0 1 453.812 4.829 20 0 JJADMN CCN(CC)[C@H](CNC(=O)c1nc(C(C)C)ncc1Br)c1ccccc1Cl ZINC001440872755 1065987704 /nfs/dbraw/zinc/98/77/04/1065987704.db2.gz FBPIPOOLXCRSIT-QGZVFWFLSA-N 0 1 453.812 4.829 20 0 JJADMN CN1CCN(c2ccccc2NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001440881509 1065988766 /nfs/dbraw/zinc/98/87/66/1065988766.db2.gz LTWLBBQJYAFENJ-UHFFFAOYSA-N 0 1 458.647 4.584 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360868646 1065993377 /nfs/dbraw/zinc/99/33/77/1065993377.db2.gz JJBOPQBXCBRTGB-FUPPJEDESA-N 0 1 469.674 4.771 20 0 JJADMN CC(C)c1nc(C(=O)NC[C@@H](c2ccsc2)N(C)C)nn1-c1c(Cl)cccc1Cl ZINC001441005291 1065999927 /nfs/dbraw/zinc/99/99/27/1065999927.db2.gz LWPVIVLRJSJQAK-INIZCTEOSA-N 0 1 452.411 4.792 20 0 JJADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001441232327 1066017463 /nfs/dbraw/zinc/01/74/63/1066017463.db2.gz UXTVZMWXOAWETA-OAHLLOKOSA-N 0 1 457.290 4.742 20 0 JJADMN C[C@H](CCOc1ccccc1)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC001441304713 1066023942 /nfs/dbraw/zinc/02/39/42/1066023942.db2.gz COCROBBGVKQAMF-XMMPIXPASA-N 0 1 457.618 4.730 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CCC(C)C)c1C ZINC001360878094 1066024930 /nfs/dbraw/zinc/02/49/30/1066024930.db2.gz RQVSLKLHXSWAHO-DNQXCXABSA-N 0 1 469.674 4.630 20 0 JJADMN O=C(CCOc1cccc(Br)c1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441326218 1066028343 /nfs/dbraw/zinc/02/83/43/1066028343.db2.gz ITXSGJIGKOUGSK-HXUWFJFHSA-N 0 1 451.792 4.825 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCOC[C@H]3C)n2C[C@H](c2ccsc2)N(C)C)c1C ZINC001360879071 1066028659 /nfs/dbraw/zinc/02/86/59/1066028659.db2.gz FRMFEBAVKZAQGW-SYYKKAFVSA-N 0 1 469.655 4.624 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(Nc4nccs4)cc3F)cc2)C[C@@H](C)O1 ZINC001441329565 1066029415 /nfs/dbraw/zinc/02/94/15/1066029415.db2.gz YBRAGITUAXBXRO-IAGOWNOFSA-N 0 1 454.571 4.565 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(Nc4nccs4)cc3F)cc2)C[C@H](C)O1 ZINC001441329561 1066029451 /nfs/dbraw/zinc/02/94/51/1066029451.db2.gz YBRAGITUAXBXRO-CALCHBBNSA-N 0 1 454.571 4.565 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360879499 1066030666 /nfs/dbraw/zinc/03/06/66/1066030666.db2.gz LSGHPGVNLXJXHJ-QNWVGRARSA-N 0 1 499.700 4.538 20 0 JJADMN CC[C@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001441343499 1066030816 /nfs/dbraw/zinc/03/08/16/1066030816.db2.gz RAEUWVMKMUHOLN-RDPSFJRHSA-N 0 1 450.023 4.630 20 0 JJADMN CCSc1ccccc1CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001441543992 1066049172 /nfs/dbraw/zinc/04/91/72/1066049172.db2.gz DCPDEOCDRNWNFE-UHFFFAOYSA-N 0 1 450.582 4.981 20 0 JJADMN Cc1nc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C(C)C)CC2)sc1C ZINC001360902486 1066055771 /nfs/dbraw/zinc/05/57/71/1066055771.db2.gz IJMWFNVYDNNZSU-UHFFFAOYSA-N 0 1 465.454 4.904 20 0 JJADMN Cc1cc(OC(C)C)ccc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441819578 1066073390 /nfs/dbraw/zinc/07/33/90/1066073390.db2.gz QTDGGZRZUHCFFQ-HSZRJFAPSA-N 0 1 455.599 4.746 20 0 JJADMN O=C(NCC1CCCCCCC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001441885464 1066077730 /nfs/dbraw/zinc/07/77/30/1066077730.db2.gz NSTDMJLZQFYQSH-UHFFFAOYSA-N 0 1 450.988 4.937 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCCCC1 ZINC001441893181 1066079714 /nfs/dbraw/zinc/07/97/14/1066079714.db2.gz ZFRHOFQYVIOJFC-BDTNDASRSA-N 0 1 457.412 4.905 20 0 JJADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)[nH]1 ZINC001442098649 1066093052 /nfs/dbraw/zinc/09/30/52/1066093052.db2.gz ZKYNHAQZTBOKSP-UHFFFAOYSA-N 0 1 456.543 4.703 20 0 JJADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC001442102062 1066093359 /nfs/dbraw/zinc/09/33/59/1066093359.db2.gz BKDJTJREDVMSCZ-CQSZACIVSA-N 0 1 452.761 4.768 20 0 JJADMN Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N(C)C ZINC001360935555 1066095246 /nfs/dbraw/zinc/09/52/46/1066095246.db2.gz OVWBHLCYMAIRJR-GOSISDBHSA-N 0 1 457.003 4.896 20 0 JJADMN COc1cc2[nH]cc(C(=O)N[C@H](c3ccsc3)c3ccc(Cl)cc3)c(=O)c2c(OC)c1 ZINC001442119216 1066096442 /nfs/dbraw/zinc/09/64/42/1066096442.db2.gz ICFSHPXACVCCTL-NRFANRHFSA-N 0 1 454.935 4.780 20 0 JJADMN Cc1occc1CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001360944920 1066099868 /nfs/dbraw/zinc/09/98/68/1066099868.db2.gz NZSHFINQQSSHED-QZTJIDSGSA-N 0 1 487.595 4.573 20 0 JJADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336346 1066117554 /nfs/dbraw/zinc/11/75/54/1066117554.db2.gz JSSOBPAPCPJLOY-HXUWFJFHSA-N 0 1 456.999 4.926 20 0 JJADMN Cc1c(Br)csc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC001442370448 1066120945 /nfs/dbraw/zinc/12/09/45/1066120945.db2.gz AKGUQWVDVOWWHB-UHFFFAOYSA-N 0 1 451.367 4.872 20 0 JJADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cccc(OCC(F)(F)F)c1 ZINC001442375247 1066121436 /nfs/dbraw/zinc/12/14/36/1066121436.db2.gz KTMYYHSVUVYGDN-UHFFFAOYSA-N 0 1 450.438 4.681 20 0 JJADMN CCCN(C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)[C@H](C)c1ccccc1OC ZINC001442399030 1066124084 /nfs/dbraw/zinc/12/40/84/1066124084.db2.gz UZXCRDZLXDLCJG-MSOLQXFVSA-N 0 1 456.587 4.756 20 0 JJADMN CCN(CC)[C@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001360967616 1066125009 /nfs/dbraw/zinc/12/50/09/1066125009.db2.gz JCOBLXGTCILBAW-MOPGFXCFSA-N 0 1 457.537 4.508 20 0 JJADMN Cc1[nH]c2ccc(CNC(=O)c3sccc3S(=O)(=O)Nc3ccc(C)cc3)cc2c1C ZINC001442410141 1066125780 /nfs/dbraw/zinc/12/57/80/1066125780.db2.gz UZJROLCOHKCEOC-UHFFFAOYSA-N 0 1 453.589 4.885 20 0 JJADMN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)C)CC1 ZINC001360977325 1066134770 /nfs/dbraw/zinc/13/47/70/1066134770.db2.gz MECFVTRLNGOXNV-UHFFFAOYSA-N 0 1 464.397 4.644 20 0 JJADMN CCCc1nc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)nn1-c1ccccc1Cl ZINC001360977940 1066135767 /nfs/dbraw/zinc/13/57/67/1066135767.db2.gz HBMMCMJCDPPRTI-UHFFFAOYSA-N 0 1 459.735 4.764 20 0 JJADMN COc1ccc(CCC(=O)Nc2nc3ccc(Br)cc3[nH]2)c(Br)c1 ZINC001360978113 1066136014 /nfs/dbraw/zinc/13/60/14/1066136014.db2.gz LRSZVCJTXDESFS-UHFFFAOYSA-N 0 1 453.134 4.668 20 0 JJADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001360978511 1066136801 /nfs/dbraw/zinc/13/68/01/1066136801.db2.gz WBOTWLFUYOIXLP-UHFFFAOYSA-N 0 1 452.190 4.647 20 0 JJADMN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2cccc(CN3CCSCC3)c2)c1 ZINC001442551458 1066136894 /nfs/dbraw/zinc/13/68/94/1066136894.db2.gz ZBTSTKOJDYXEAQ-UHFFFAOYSA-N 0 1 452.649 4.769 20 0 JJADMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)cc2[nH]1 ZINC001442616535 1066145279 /nfs/dbraw/zinc/14/52/79/1066145279.db2.gz URUAVTVMKXRPQV-UHFFFAOYSA-N 0 1 456.472 4.959 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccsc1)N(C)C ZINC001360985487 1066147806 /nfs/dbraw/zinc/14/78/06/1066147806.db2.gz BVNXKLVZWMKKJR-YADHBBJMSA-N 0 1 496.681 4.576 20 0 JJADMN O=C(NCCN1CCCc2ccccc21)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001442724070 1066155709 /nfs/dbraw/zinc/15/57/09/1066155709.db2.gz RQOTZEFGJKFWMX-UHFFFAOYSA-N 0 1 455.967 4.542 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)C1 ZINC001442727703 1066156116 /nfs/dbraw/zinc/15/61/16/1066156116.db2.gz XWSILWTWOUCDAK-CJAUYULYSA-N 0 1 453.587 4.745 20 0 JJADMN C[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc(Br)c1 ZINC001442730358 1066156140 /nfs/dbraw/zinc/15/61/40/1066156140.db2.gz YOWKYLVLDVANPG-JTQLQIEISA-N 0 1 450.134 4.739 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C)C2)n1CCN1CCSCC1 ZINC001360989378 1066160710 /nfs/dbraw/zinc/16/07/10/1066160710.db2.gz DGZUHKIWUHCTLG-LPHOPBHVSA-N 0 1 464.079 4.583 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC[C@@H]1CCOC1 ZINC001360992948 1066172587 /nfs/dbraw/zinc/17/25/87/1066172587.db2.gz WVCUBJCPXOMZFC-LEWJYISDSA-N 0 1 476.065 4.645 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CC[C@H]1CCOC1 ZINC001360992951 1066172669 /nfs/dbraw/zinc/17/26/69/1066172669.db2.gz WVCUBJCPXOMZFC-SFTDATJTSA-N 0 1 476.065 4.645 20 0 JJADMN Cc1cccc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC001361008708 1066190604 /nfs/dbraw/zinc/19/06/04/1066190604.db2.gz ZZYICFJHXFEFPZ-GOTSBHOMSA-N 0 1 453.675 4.527 20 0 JJADMN O=C(Nc1cc(-n2cccc2)ccc1F)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001442869547 1066234570 /nfs/dbraw/zinc/23/45/70/1066234570.db2.gz OMFJHIROPORQNY-UHFFFAOYSA-N 0 1 453.470 4.809 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC001442901620 1066237932 /nfs/dbraw/zinc/23/79/32/1066237932.db2.gz BHLOZMBAIHOZQP-UHFFFAOYSA-N 0 1 451.958 4.797 20 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CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001443069945 1066262555 /nfs/dbraw/zinc/26/25/55/1066262555.db2.gz XRINBWRBDRQWDM-SFHVURJKSA-N 0 1 458.967 4.598 20 0 JJADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396549 1066277705 /nfs/dbraw/zinc/27/77/05/1066277705.db2.gz BSUDSPQPZUDIIJ-HTAPYJJXSA-N 0 1 457.496 4.816 20 0 JJADMN Cc1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404741 1066278914 /nfs/dbraw/zinc/27/89/14/1066278914.db2.gz MQXHQKIRJKFUEW-MGPUTAFESA-N 0 1 458.393 4.523 20 0 JJADMN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001443359948 1066301474 /nfs/dbraw/zinc/30/14/74/1066301474.db2.gz VCNLBIGULOFKHI-IRLDBZIGSA-N 0 1 453.936 4.704 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 ZINC001443384131 1066303898 /nfs/dbraw/zinc/30/38/98/1066303898.db2.gz FBQNQEIHDKLBFG-IBGZPJMESA-N 0 1 455.603 4.667 20 0 JJADMN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(C)(C)C)cc(N2CCCC2)n1 ZINC001361072051 1066312496 /nfs/dbraw/zinc/31/24/96/1066312496.db2.gz UKRGDEIPKOOIKH-UHFFFAOYSA-N 0 1 486.462 4.870 20 0 JJADMN CN1CCN(c2ccnc(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)c2)CC1 ZINC001454651446 1066315117 /nfs/dbraw/zinc/31/51/17/1066315117.db2.gz VMXUONHCCSHWCU-UHFFFAOYSA-N 0 1 458.349 4.580 20 0 JJADMN C[C@@H](CNC(=O)c1cccc(CSc2c(Cl)cccc2Cl)c1)N1CCN(C)CC1 ZINC001443469670 1066315693 /nfs/dbraw/zinc/31/56/93/1066315693.db2.gz YWDPNSFJKUPHAQ-INIZCTEOSA-N 0 1 452.451 4.651 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC3(CCCCC3)C2)c1 ZINC001443540748 1066327026 /nfs/dbraw/zinc/32/70/26/1066327026.db2.gz OYPLIVSLKSENFI-UHFFFAOYSA-N 0 1 456.608 4.991 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)Cc3ccccc32)c1 ZINC001443547003 1066327737 /nfs/dbraw/zinc/32/77/37/1066327737.db2.gz HWDLRRCGXNSVSF-KRWDZBQOSA-N 0 1 450.560 4.643 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001443551706 1066328970 /nfs/dbraw/zinc/32/89/70/1066328970.db2.gz OZWHTPYRYWWWIH-GOTSBHOMSA-N 0 1 457.659 4.973 20 0 JJADMN COc1cccc(-c2nc(C)c(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)[nH]2)c1 ZINC001443585416 1066332660 /nfs/dbraw/zinc/33/26/60/1066332660.db2.gz ZUSDKIXQHSFZAQ-UHFFFAOYSA-N 0 1 452.986 4.689 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCC2)n1C[C@H](c1ccco1)N(C)C ZINC001361089534 1066336352 /nfs/dbraw/zinc/33/63/52/1066336352.db2.gz WSDNIAXTIBCIIW-HXUWFJFHSA-N 0 1 458.006 4.748 20 0 JJADMN CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443629094 1066339793 /nfs/dbraw/zinc/33/97/93/1066339793.db2.gz DLOZEWBCHMSTDL-JNCYCUAHSA-N 0 1 456.030 4.859 20 0 JJADMN Cc1ccc(C)n1-c1sccc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443635839 1066342383 /nfs/dbraw/zinc/34/23/83/1066342383.db2.gz RCBJGBOLLUSOQS-UHFFFAOYSA-N 0 1 457.043 4.751 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)C)CC2)n1CCC1CCOCC1 ZINC001361092133 1066342919 /nfs/dbraw/zinc/34/29/19/1066342919.db2.gz ZRGXVFYCRFPWDX-UHFFFAOYSA-N 0 1 490.092 4.599 20 0 JJADMN CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001454974622 1066348730 /nfs/dbraw/zinc/34/87/30/1066348730.db2.gz KGSPDTWMAJDZAJ-IBGZPJMESA-N 0 1 451.489 4.727 20 0 JJADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(Br)c(Br)c2)cc1 ZINC001454998261 1066350585 /nfs/dbraw/zinc/35/05/85/1066350585.db2.gz HLEDHMKJGCDQRK-UHFFFAOYSA-N 0 1 451.118 4.863 20 0 JJADMN Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)C2)cc1 ZINC001455005893 1066351951 /nfs/dbraw/zinc/35/19/51/1066351951.db2.gz ABGRPQPZRANWBX-CRAIPNDOSA-N 0 1 451.792 4.569 20 0 JJADMN Cc1cccc(N(C)c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361102848 1066352892 /nfs/dbraw/zinc/35/28/92/1066352892.db2.gz HVBZGBOVTCJLIF-WOJBJXKFSA-N 0 1 453.656 4.895 20 0 JJADMN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 ZINC001455011125 1066353372 /nfs/dbraw/zinc/35/33/72/1066353372.db2.gz ABMIOANLJJSINQ-FQEVSTJZSA-N 0 1 456.917 4.915 20 0 JJADMN Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Br)cc(Br)c3)C2)cc1 ZINC001455015523 1066354339 /nfs/dbraw/zinc/35/43/39/1066354339.db2.gz VWYXTJYBVNTDBO-SFHVURJKSA-N 0 1 452.190 4.524 20 0 JJADMN COC(=O)CCSCc1cccc(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)c1 ZINC001443704984 1066354467 /nfs/dbraw/zinc/35/44/67/1066354467.db2.gz SVKABXQFYDNNFR-HXUWFJFHSA-N 0 1 454.636 4.765 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4cc(F)c(Cl)cc4Cl)C3)n[nH]2)cc1 ZINC001443729547 1066359546 /nfs/dbraw/zinc/35/95/46/1066359546.db2.gz PPINKPJOZJVVSB-HXUWFJFHSA-N 0 1 450.297 4.745 20 0 JJADMN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001546068601 1066359971 /nfs/dbraw/zinc/35/99/71/1066359971.db2.gz SILLYVGBILBSJQ-DVECYGJZSA-N 0 1 490.490 4.691 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1cccc3[nH]c(C(F)F)nc31)C2 ZINC001455108614 1066362182 /nfs/dbraw/zinc/36/21/82/1066362182.db2.gz KWKBMCCQBPZAEX-UHFFFAOYSA-N 0 1 458.465 4.882 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)c1cc(-c3ccc(F)cc3)[nH]n1)C2 ZINC001455110479 1066362676 /nfs/dbraw/zinc/36/26/76/1066362676.db2.gz GTYMBTYNFYUFDK-UHFFFAOYSA-N 0 1 452.486 4.598 20 0 JJADMN COc1ccc(Cc2nc3ccc(NC(=O)c4cc(C)ccc4NC(=O)N(C)C)cc3[nH]2)cc1 ZINC001455215722 1066371388 /nfs/dbraw/zinc/37/13/88/1066371388.db2.gz ZLMVTMAHTYYWOE-UHFFFAOYSA-N 0 1 457.534 4.817 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC(C(C)C)CC2)n1 ZINC001361126161 1066382384 /nfs/dbraw/zinc/38/23/84/1066382384.db2.gz MHWKCEIVQGBIJY-UHFFFAOYSA-N 0 1 465.646 4.831 20 0 JJADMN Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC(C(C)C)CC2)[nH]1 ZINC001361126161 1066382404 /nfs/dbraw/zinc/38/24/04/1066382404.db2.gz MHWKCEIVQGBIJY-UHFFFAOYSA-N 0 1 465.646 4.831 20 0 JJADMN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC001455319025 1066383272 /nfs/dbraw/zinc/38/32/72/1066383272.db2.gz YYDSTIFWDVPPJV-SFHVURJKSA-N 0 1 453.367 4.540 20 0 JJADMN O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001443961626 1066388069 /nfs/dbraw/zinc/38/80/69/1066388069.db2.gz HIYGKGIAVBYOFX-HSZRJFAPSA-N 0 1 451.517 4.799 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCc2nccs2)c1 ZINC001361129825 1066393884 /nfs/dbraw/zinc/39/38/84/1066393884.db2.gz DZJJSCRTJCWMGD-UHFFFAOYSA-N 0 1 482.698 4.909 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCSC(C)(C)C3)n2CCN2CCSCC2)c1 ZINC001361131567 1066399320 /nfs/dbraw/zinc/39/93/20/1066399320.db2.gz LAHHMPKHVGYKMH-UHFFFAOYSA-N 0 1 489.755 4.670 20 0 JJADMN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC001444086873 1066403243 /nfs/dbraw/zinc/40/32/43/1066403243.db2.gz SGKFSLGIQWCSDM-UHFFFAOYSA-N 0 1 455.486 4.775 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 ZINC001455530973 1066404886 /nfs/dbraw/zinc/40/48/86/1066404886.db2.gz GPVYFTMDKGVUGM-IEBWSBKVSA-N 0 1 462.543 4.636 20 0 JJADMN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001455536759 1066406902 /nfs/dbraw/zinc/40/69/02/1066406902.db2.gz LPORULGOUADAGY-QGZVFWFLSA-N 0 1 456.539 4.743 20 0 JJADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(OCc2ccccc2)ccn1 ZINC001444128870 1066410360 /nfs/dbraw/zinc/41/03/60/1066410360.db2.gz GUQMOTRDMVQFOE-NRFANRHFSA-N 0 1 455.480 4.684 20 0 JJADMN O=C(Cn1c2ccccc2nc1SC(F)F)Nc1nc2cccc(Br)c2[nH]1 ZINC001455585268 1066413240 /nfs/dbraw/zinc/41/32/40/1066413240.db2.gz JGCMTEZZHSSVTM-UHFFFAOYSA-N 0 1 452.284 4.629 20 0 JJADMN O=C(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC001455640334 1066418038 /nfs/dbraw/zinc/41/80/38/1066418038.db2.gz JRDNYKAVLMWEEF-KKSFZXQISA-N 0 1 463.409 4.753 20 0 JJADMN Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c(C[NH+](C)C)c1 ZINC001444163991 1066423677 /nfs/dbraw/zinc/42/36/77/1066423677.db2.gz HFNLTIIMZCFGEW-UHFFFAOYSA-N 0 1 455.555 4.557 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](c2ccco2)N(C)C)c1 ZINC001361151750 1066443819 /nfs/dbraw/zinc/44/38/19/1066443819.db2.gz LFXSEFUNGJRAQX-NRFANRHFSA-N 0 1 481.641 4.764 20 0 JJADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC001444292831 1066443974 /nfs/dbraw/zinc/44/39/74/1066443974.db2.gz HGUGYANGLPIGHF-NQIIRXRSSA-N 0 1 453.583 4.864 20 0 JJADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC001444292831 1066443979 /nfs/dbraw/zinc/44/39/79/1066443979.db2.gz HGUGYANGLPIGHF-NQIIRXRSSA-N 0 1 453.583 4.864 20 0 JJADMN CCCN(C(=O)c1cccc(I)c1O)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001444318772 1066447995 /nfs/dbraw/zinc/44/79/95/1066447995.db2.gz DYCCVLMWRTZEBI-IAGOWNOFSA-N 0 1 457.352 4.587 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c1 ZINC001444362544 1066455329 /nfs/dbraw/zinc/45/53/29/1066455329.db2.gz MVMQSGSBTRZHPX-LJQANCHMSA-N 0 1 452.576 4.508 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)C)CC3)n2CCO[C@@H]2CCCC[C@H]2C)c1 ZINC001361159926 1066465847 /nfs/dbraw/zinc/46/58/47/1066465847.db2.gz OMVFVBMOFLRIOU-ISKFKSNPSA-N 0 1 469.674 4.600 20 0 JJADMN CCCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444495116 1066467585 /nfs/dbraw/zinc/46/75/85/1066467585.db2.gz JGLSJGMDVMAFRL-ZDUSSCGKSA-N 0 1 450.391 4.992 20 0 JJADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)[C@@H]3CCCc4sccc43)cc2)n[nH]1 ZINC001444561639 1066476501 /nfs/dbraw/zinc/47/65/01/1066476501.db2.gz CZPIFRMXXBBSPA-QGZVFWFLSA-N 0 1 453.568 4.617 20 0 JJADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CCCc4sccc43)cc2)n1 ZINC001444561639 1066476507 /nfs/dbraw/zinc/47/65/07/1066476507.db2.gz CZPIFRMXXBBSPA-QGZVFWFLSA-N 0 1 453.568 4.617 20 0 JJADMN Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)cc1 ZINC001361166216 1066477209 /nfs/dbraw/zinc/47/72/09/1066477209.db2.gz QGXRGYRSDRUBAK-JOCHJYFZSA-N 0 1 494.709 4.647 20 0 JJADMN COc1ccc(-c2n[nH]c(NC(=O)c3cccnc3SCC3CCCCC3)n2)cc1OC ZINC001444575152 1066478829 /nfs/dbraw/zinc/47/88/29/1066478829.db2.gz CYDYIWYZBZOVSB-UHFFFAOYSA-N 0 1 453.568 4.809 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1C ZINC001456034640 1066484998 /nfs/dbraw/zinc/48/49/98/1066484998.db2.gz AEIHJXPIRCUPRC-UHFFFAOYSA-N 0 1 453.480 4.602 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3sc(C4CCCC4)nc3C)CC2)c1C ZINC001456037428 1066486428 /nfs/dbraw/zinc/48/64/28/1066486428.db2.gz HTWNMOWJODLWNH-UHFFFAOYSA-N 0 1 456.656 4.866 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)/C=C\c3cnc(C(C)(C)C)s3)CC2)c1C ZINC001456038881 1066487113 /nfs/dbraw/zinc/48/71/13/1066487113.db2.gz OIHRRWNVFZPNHZ-HJWRWDBZSA-N 0 1 456.656 4.597 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)Cc3csc4sc(C)cc34)CC2)c1C ZINC001456038258 1066487139 /nfs/dbraw/zinc/48/71/39/1066487139.db2.gz MDBGQUVOHJARBV-UHFFFAOYSA-N 0 1 457.665 4.957 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)c1C ZINC001456041795 1066488799 /nfs/dbraw/zinc/48/87/99/1066488799.db2.gz WYSRFPKCQIEQOI-RZPHLTDDSA-N 0 1 459.675 4.607 20 0 JJADMN O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001361176398 1066494504 /nfs/dbraw/zinc/49/45/04/1066494504.db2.gz MZAXYHKTTAWQCF-UHFFFAOYSA-N 0 1 452.580 4.789 20 0 JJADMN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1 ZINC001456055395 1066496064 /nfs/dbraw/zinc/49/60/64/1066496064.db2.gz YDRRGZWWNFNDPR-RUZDIDTESA-N 0 1 459.615 4.781 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCCc2nc3ccc(F)cc3[nH]2)c2ccccc21 ZINC001444729256 1066498018 /nfs/dbraw/zinc/49/80/18/1066498018.db2.gz NOOQKQQAAKHWAK-MRXNPFEDSA-N 0 1 452.530 4.680 20 0 JJADMN Cc1ccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361178745 1066499430 /nfs/dbraw/zinc/49/94/30/1066499430.db2.gz RFCBGZXEBWEDHD-RTBURBONSA-N 0 1 458.006 4.636 20 0 JJADMN Cn1c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001444771609 1066503167 /nfs/dbraw/zinc/50/31/67/1066503167.db2.gz WEZKJLYXHZZREO-OAQYLSRUSA-N 0 1 458.647 4.578 20 0 JJADMN Cn1c(C(=O)N2CCN(C)CC23CCCCC3)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001444771609 1066503176 /nfs/dbraw/zinc/50/31/76/1066503176.db2.gz WEZKJLYXHZZREO-OAQYLSRUSA-N 0 1 458.647 4.578 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H](CNc4ccc(Cl)cc4)C3)n2)cc1 ZINC001456075566 1066503594 /nfs/dbraw/zinc/50/35/94/1066503594.db2.gz HVDAPXVEFQVJSL-QGZVFWFLSA-N 0 1 456.015 4.876 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H](CNc4ccc(Cl)cc4)C3)n2)cc1 ZINC001456075559 1066503624 /nfs/dbraw/zinc/50/36/24/1066503624.db2.gz HVDAPXVEFQVJSL-KRWDZBQOSA-N 0 1 456.015 4.876 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC(C2CCCC2)C2CCCC2)c1 ZINC001456082339 1066506099 /nfs/dbraw/zinc/50/60/99/1066506099.db2.gz QMEXHLXWOGLAAO-UHFFFAOYSA-N 0 1 456.608 4.975 20 0 JJADMN O=C(c1ccc2ccc(O)cc2c1[O-])N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868659 1066514920 /nfs/dbraw/zinc/51/49/20/1066514920.db2.gz SOLOBSIODTZWEG-SFHVURJKSA-N 0 1 458.480 4.778 20 0 JJADMN O=C(c1ccc2ccc(O)cc2c1[O-])N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001444868659 1066514928 /nfs/dbraw/zinc/51/49/28/1066514928.db2.gz SOLOBSIODTZWEG-SFHVURJKSA-N 0 1 458.480 4.778 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)n2CC(C)(C)C(F)(F)F)o1 ZINC001361190610 1066516160 /nfs/dbraw/zinc/51/61/60/1066516160.db2.gz NCNJFHTZPCGSBP-FXAWDEMLSA-N 0 1 493.578 4.688 20 0 JJADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC001445026853 1066530934 /nfs/dbraw/zinc/53/09/34/1066530934.db2.gz LHUGDGACAPXRNH-UHFFFAOYSA-N 0 1 456.306 4.619 20 0 JJADMN COC[C@]1(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001445081112 1066537027 /nfs/dbraw/zinc/53/70/27/1066537027.db2.gz KLSOPQBEVQBGSS-VWLOTQADSA-N 0 1 456.587 4.823 20 0 JJADMN CCN(CC)[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215316 1066538987 /nfs/dbraw/zinc/53/89/87/1066538987.db2.gz SGNXUEWULXGIDS-OALUTQOASA-N 0 1 457.537 4.556 20 0 JJADMN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001445230848 1066548099 /nfs/dbraw/zinc/54/80/99/1066548099.db2.gz GGOQTEWETMMJHY-LJQANCHMSA-N 0 1 456.587 4.650 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC[C@H](C)CC3)n2CCCCN2CCOCC2)cc1Br ZINC001361213484 1066548237 /nfs/dbraw/zinc/54/82/37/1066548237.db2.gz XYYNKPYJCVQUKW-IBGZPJMESA-N 0 1 490.490 4.755 20 0 JJADMN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001445319090 1066556502 /nfs/dbraw/zinc/55/65/02/1066556502.db2.gz APCVPBYBFVFMRV-IFXJQAMLSA-N 0 1 450.988 4.791 20 0 JJADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363888 1066562529 /nfs/dbraw/zinc/56/25/29/1066562529.db2.gz HJWQLISCYSWOMX-JPYJTQIMSA-N 0 1 450.608 4.975 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001361225746 1066564427 /nfs/dbraw/zinc/56/44/27/1066564427.db2.gz LCSBBOQUZIOIJW-RTBURBONSA-N 0 1 469.552 4.687 20 0 JJADMN CCO[C@@H](CCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)C1CCCC1 ZINC001445402785 1066567792 /nfs/dbraw/zinc/56/77/92/1066567792.db2.gz JGLFLSYLPNBYHV-IBGZPJMESA-N 0 1 450.626 4.573 20 0 JJADMN CCCc1c(C(=O)Nc2ccc3nc(CNC(=O)OC(C)(C)C)[nH]c3c2)[nH]c(C)c1C(C)=O ZINC001456362431 1066571244 /nfs/dbraw/zinc/57/12/44/1066571244.db2.gz PCTBOFSYAJTXLJ-UHFFFAOYSA-N 0 1 453.543 4.632 20 0 JJADMN COc1ccc2oc(C(=O)Nc3ccc4nc(CNC(=O)OC(C)(C)C)[nH]c4c3)c(C)c2c1 ZINC001456364193 1066571624 /nfs/dbraw/zinc/57/16/24/1066571624.db2.gz YDVGVCRTUPOFTG-UHFFFAOYSA-N 0 1 450.495 4.903 20 0 JJADMN Cc1cc([C@@H]2CCCCN2C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n[nH]1 ZINC001456380945 1066574226 /nfs/dbraw/zinc/57/42/26/1066574226.db2.gz IPROUZJDLXMYSJ-GMAHTHKFSA-N 0 1 450.970 4.987 20 0 JJADMN CCCCc1nc2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@H]3C[C@H]3C)cc2[nH]1 ZINC001445541491 1066585855 /nfs/dbraw/zinc/58/58/55/1066585855.db2.gz OUMWWYJFCBRLIZ-GDBMZVCRSA-N 0 1 450.539 4.770 20 0 JJADMN CCn1nc(C(F)(F)F)c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1C(F)F ZINC001361247567 1066590455 /nfs/dbraw/zinc/59/04/55/1066590455.db2.gz IDKRHJCFLCVEQF-UHFFFAOYSA-N 0 1 452.181 4.751 20 0 JJADMN Cn1c(=O)c2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3F)cc2[nH]c1=S ZINC001445591967 1066593266 /nfs/dbraw/zinc/59/32/66/1066593266.db2.gz JCYRWLBDPSTFOV-UHFFFAOYSA-N 0 1 453.926 4.612 20 0 JJADMN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCOCC2)s1 ZINC001361251487 1066598969 /nfs/dbraw/zinc/59/89/69/1066598969.db2.gz UKQKSVHMRJZEIV-UHFFFAOYSA-N 0 1 460.047 4.717 20 0 JJADMN Cc1oc(-c2ccccc2)cc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC001456501541 1066602341 /nfs/dbraw/zinc/60/23/41/1066602341.db2.gz BRTKDQQLTSEEAJ-UHFFFAOYSA-N 0 1 457.496 4.956 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccco3)n[nH]2)c1C ZINC001445695772 1066605707 /nfs/dbraw/zinc/60/57/07/1066605707.db2.gz DULBILJKGNXDNW-SIKLNZKXSA-N 0 1 453.587 4.792 20 0 JJADMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512575 1066607677 /nfs/dbraw/zinc/60/76/77/1066607677.db2.gz XOQKWAQVDQHRTF-REWPJTCUSA-N 0 1 456.428 4.507 20 0 JJADMN Cc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CCOC(C)C)CC2)s1 ZINC001361268994 1066622550 /nfs/dbraw/zinc/62/25/50/1066622550.db2.gz UZOWGCFVDLOPOE-UHFFFAOYSA-N 0 1 460.047 4.564 20 0 JJADMN Cc1ccccc1OCCCN(C)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001492599597 1066650608 /nfs/dbraw/zinc/65/06/08/1066650608.db2.gz ZFBRRHZZGQWQFD-FGZHOGPDSA-N 0 1 457.663 4.503 20 0 JJADMN CCCCN1CCc2ccc(NC(=O)c3cn[nH]c3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001446101261 1066660051 /nfs/dbraw/zinc/66/00/51/1066660051.db2.gz BTTWFWCGCYDQME-SFHVURJKSA-N 0 1 453.587 4.549 20 0 JJADMN COCCOc1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1Br ZINC001456672023 1066663727 /nfs/dbraw/zinc/66/37/27/1066663727.db2.gz OOUUWFFJQGOVBY-UHFFFAOYSA-N 0 1 450.720 4.770 20 0 JJADMN CCCC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C1CCC1 ZINC001446169811 1066668799 /nfs/dbraw/zinc/66/87/99/1066668799.db2.gz TZALQEPZVXTHRL-FQEVSTJZSA-N 0 1 450.988 4.935 20 0 JJADMN CC1=CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001492608662 1066669900 /nfs/dbraw/zinc/66/99/00/1066669900.db2.gz FOQQZQFTWQCMOX-XMMPIXPASA-N 0 1 451.659 4.756 20 0 JJADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001456719142 1066673625 /nfs/dbraw/zinc/67/36/25/1066673625.db2.gz ACYXQGREDCBXGR-DEOSSOPVSA-N 0 1 457.618 4.525 20 0 JJADMN CCOC(=O)c1[nH]nc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1C1CC1 ZINC001456786722 1066690031 /nfs/dbraw/zinc/69/00/31/1066690031.db2.gz RBZBUAWDTPQGKJ-UHFFFAOYSA-N 0 1 452.559 4.648 20 0 JJADMN O=C(Nc1cc(C(=O)OCc2ccccc2)[nH]n1)c1cc2ccc(Br)cc2s1 ZINC001456802164 1066694478 /nfs/dbraw/zinc/69/44/78/1066694478.db2.gz XBJHKCNLQXMZIP-UHFFFAOYSA-N 0 1 456.321 4.996 20 0 JJADMN Cc1ccc(C)c(C2CCN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)CC2)c1 ZINC001456843023 1066704663 /nfs/dbraw/zinc/70/46/63/1066704663.db2.gz FDTLSDGCXQEUNK-HXUWFJFHSA-N 0 1 452.599 4.771 20 0 JJADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC001446502540 1066711377 /nfs/dbraw/zinc/71/13/77/1066711377.db2.gz OOIGNKQDNAXXGR-UHFFFAOYSA-N 0 1 454.939 4.886 20 0 JJADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 ZINC001446526055 1066715524 /nfs/dbraw/zinc/71/55/24/1066715524.db2.gz NZKZWJBJXWVEJR-QFIPXVFZSA-N 0 1 459.951 4.906 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C[C@H]21 ZINC001446651620 1066729174 /nfs/dbraw/zinc/72/91/74/1066729174.db2.gz GIMXVOAZBDYAMP-BPLDGKMQSA-N 0 1 450.992 4.557 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C[C@@H]21 ZINC001446651639 1066729235 /nfs/dbraw/zinc/72/92/35/1066729235.db2.gz GIMXVOAZBDYAMP-VHDGCEQUSA-N 0 1 450.992 4.557 20 0 JJADMN CCCCc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(Br)cc4[nH]3)CC2=O)cc1 ZINC001457020239 1066744543 /nfs/dbraw/zinc/74/45/43/1066744543.db2.gz RLXNVODBYRADFO-HNNXBMFYSA-N 0 1 455.356 4.660 20 0 JJADMN O=C(COc1ccccc1OCc1ccccc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC001457024051 1066746479 /nfs/dbraw/zinc/74/64/79/1066746479.db2.gz YNSMPIHLXJNGJT-UHFFFAOYSA-N 0 1 452.308 4.922 20 0 JJADMN Cc1csc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H](c2ccco2)N(C)C)c1 ZINC001492647011 1066750442 /nfs/dbraw/zinc/75/04/42/1066750442.db2.gz CUCRWULEZNTQFG-OAQYLSRUSA-N 0 1 453.587 4.910 20 0 JJADMN Cc1csc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001492647710 1066752584 /nfs/dbraw/zinc/75/25/84/1066752584.db2.gz UQDSUIITDAQTRH-RTBURBONSA-N 0 1 473.712 4.825 20 0 JJADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC001545991619 1066765485 /nfs/dbraw/zinc/76/54/85/1066765485.db2.gz VHLUOUAXDQBRRM-CYBMUJFWSA-N 0 1 456.306 4.818 20 0 JJADMN Cc1[nH]c(=O)c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107856 1066774505 /nfs/dbraw/zinc/77/45/05/1066774505.db2.gz SAUVCBJFHGNTGU-WZONZLPQSA-N 0 1 453.945 4.978 20 0 JJADMN CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)cc1 ZINC001447163374 1066779322 /nfs/dbraw/zinc/77/93/22/1066779322.db2.gz MGFHNTXRZULPSD-OAHLLOKOSA-N 0 1 458.967 4.900 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@H](c2ccsc2)N(C)C)cs1 ZINC001492665449 1066786701 /nfs/dbraw/zinc/78/67/01/1066786701.db2.gz IYBSXPPDWNZFDU-JOCHJYFZSA-N 0 1 466.680 4.943 20 0 JJADMN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccccc1NS(C)(=O)=O ZINC001447366036 1066799639 /nfs/dbraw/zinc/79/96/39/1066799639.db2.gz FCMLUPKWKHKYNS-UHFFFAOYSA-N 0 1 457.939 4.525 20 0 JJADMN CC[C@@H]1CN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001447501684 1066816137 /nfs/dbraw/zinc/81/61/37/1066816137.db2.gz SIVRHMLCMUPOFE-IXCJQBJRSA-N 0 1 458.602 4.812 20 0 JJADMN CN1CCN(c2ccc(CCNC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)cc2)CC1 ZINC001457365624 1066817792 /nfs/dbraw/zinc/81/77/92/1066817792.db2.gz VTAWYWYONWXUMN-UHFFFAOYSA-N 0 1 457.405 4.713 20 0 JJADMN CC(C)([C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001447550772 1066820847 /nfs/dbraw/zinc/82/08/47/1066820847.db2.gz CHCZDMLOSGEWKK-LJQANCHMSA-N 0 1 453.327 4.778 20 0 JJADMN Cc1n[nH]c(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(Cc2ccco2)C(C)C)n1 ZINC001492686896 1066831523 /nfs/dbraw/zinc/83/15/23/1066831523.db2.gz OCVPGHYNRUYBJE-INIZCTEOSA-N 0 1 469.977 4.749 20 0 JJADMN Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(Cc2ccco2)C(C)C)[nH]1 ZINC001492686896 1066831528 /nfs/dbraw/zinc/83/15/28/1066831528.db2.gz OCVPGHYNRUYBJE-INIZCTEOSA-N 0 1 469.977 4.749 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1C ZINC001457478641 1066840182 /nfs/dbraw/zinc/84/01/82/1066840182.db2.gz JNAZNLPOHAEASI-SVFBPWRDSA-N 0 1 456.608 4.893 20 0 JJADMN COc1ccc(NC(=O)c2ccsc2C(F)F)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC001457502476 1066844018 /nfs/dbraw/zinc/84/40/18/1066844018.db2.gz DNCUVKWGVQOBKR-UHFFFAOYSA-N 0 1 456.467 4.887 20 0 JJADMN CC(C)(C)N1CC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457505219 1066845621 /nfs/dbraw/zinc/84/56/21/1066845621.db2.gz UFOSTABJQPZZDA-QGZVFWFLSA-N 0 1 456.395 4.606 20 0 JJADMN O=C(NCCCCOc1ccc(F)cc1)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1 ZINC001457516719 1066848905 /nfs/dbraw/zinc/84/89/05/1066848905.db2.gz FHZWRIJLUGLQNN-UHFFFAOYSA-N 0 1 459.521 4.750 20 0 JJADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCCC34CCN(C(=O)OC(C)(C)C)CC4)n2)cc1 ZINC001457519191 1066850107 /nfs/dbraw/zinc/85/01/07/1066850107.db2.gz MGQRHKFSQDZWLZ-LJQANCHMSA-N 0 1 453.587 4.926 20 0 JJADMN Cc1ncc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccsc2)N(C)C)s1 ZINC001492698708 1066852294 /nfs/dbraw/zinc/85/22/94/1066852294.db2.gz IYUTYLPRPCZKDJ-NJDAHSKKSA-N 0 1 488.727 4.962 20 0 JJADMN CC(C)(C)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CC1 ZINC001447752665 1066852820 /nfs/dbraw/zinc/85/28/20/1066852820.db2.gz MMKOOUCDTRBWRG-UHFFFAOYSA-N 0 1 450.988 4.745 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001457550461 1066859204 /nfs/dbraw/zinc/85/92/04/1066859204.db2.gz CINPVPPRKXSNEW-HDMKZQKVSA-N 0 1 459.978 4.879 20 0 JJADMN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)c2C1 ZINC001447794964 1066859578 /nfs/dbraw/zinc/85/95/78/1066859578.db2.gz FYHVLAHUYFVQAR-PMACEKPBSA-N 0 1 451.655 4.693 20 0 JJADMN CCn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457553780 1066859924 /nfs/dbraw/zinc/85/99/24/1066859924.db2.gz JBTKJHQGGSQBFY-DEOSSOPVSA-N 0 1 451.998 4.878 20 0 JJADMN CCn1cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c(=O)c2cc(Cl)ccc21 ZINC001457553801 1066859939 /nfs/dbraw/zinc/85/99/39/1066859939.db2.gz JBTKJHQGGSQBFY-XMMPIXPASA-N 0 1 451.998 4.878 20 0 JJADMN CCCc1c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nnn1-c1cccc(Cl)c1 ZINC001457554415 1066860013 /nfs/dbraw/zinc/86/00/13/1066860013.db2.gz ZBPLQCSVKKKLGO-JOCHJYFZSA-N 0 1 452.002 4.610 20 0 JJADMN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1ccc(O)c(Cl)c1 ZINC001447795836 1066860228 /nfs/dbraw/zinc/86/02/28/1066860228.db2.gz XQAFGZGHFFBZJZ-OAHLLOKOSA-N 0 1 454.748 4.638 20 0 JJADMN CCN(CC)[C@H](C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC001447797943 1066860311 /nfs/dbraw/zinc/86/03/11/1066860311.db2.gz JLARANCRCCNJHB-ZIFCJYIRSA-N 0 1 454.455 4.688 20 0 JJADMN O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001457582427 1066871371 /nfs/dbraw/zinc/87/13/71/1066871371.db2.gz FSLQHZLWAPDPRW-UHFFFAOYSA-N 0 1 459.937 4.750 20 0 JJADMN O=C(OCc1ccccc1)[C@@H](CNC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC001447921797 1066877422 /nfs/dbraw/zinc/87/74/22/1066877422.db2.gz RCQRMUNIEUOTCX-SVBPBHIXSA-N 0 1 456.586 4.685 20 0 JJADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(I)cc1 ZINC001457734169 1066906574 /nfs/dbraw/zinc/90/65/74/1066906574.db2.gz KWQNDWDUZWOURD-UHFFFAOYSA-N 0 1 452.473 4.665 20 0 JJADMN Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)c2)c1 ZINC001448024021 1066891687 /nfs/dbraw/zinc/89/16/87/1066891687.db2.gz RCCFZBUUUFDSAI-UHFFFAOYSA-N 0 1 457.640 4.522 20 0 JJADMN CN(C)[C@H](CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)c1cccc(C(F)(F)F)c1 ZINC001448072306 1066896873 /nfs/dbraw/zinc/89/68/73/1066896873.db2.gz YTTBJVSRGWEUEN-CTNGQTDRSA-N 0 1 453.892 4.661 20 0 JJADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(Sc4cccc(Br)c4)n3)n2)o1 ZINC001457691483 1066898348 /nfs/dbraw/zinc/89/83/48/1066898348.db2.gz RQAHVQIIYQTKDL-UHFFFAOYSA-N 0 1 456.325 4.934 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@H](c2ccco2)N(C)C)n1 ZINC001492732230 1066904634 /nfs/dbraw/zinc/90/46/34/1066904634.db2.gz LQVZMUVMNYUVTL-JTHBVZDNSA-N 0 1 461.614 4.541 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3sccc32)ccc1C ZINC001457738033 1066907847 /nfs/dbraw/zinc/90/78/47/1066907847.db2.gz GNQVAMRHDXPDJI-SFHVURJKSA-N 0 1 456.589 4.673 20 0 JJADMN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC001448226489 1066910674 /nfs/dbraw/zinc/91/06/74/1066910674.db2.gz NQENQAAUTJKQPZ-NSHDSACASA-N 0 1 451.310 4.709 20 0 JJADMN C[C@@H]1CSCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1 ZINC001457787272 1066919650 /nfs/dbraw/zinc/91/96/50/1066919650.db2.gz JUOINDITEVOACY-ZDUSSCGKSA-N 0 1 459.420 4.619 20 0 JJADMN O=Cc1ccc(-c2ccc(C(=O)N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)c(O)c2)o1 ZINC001448430272 1066926226 /nfs/dbraw/zinc/92/62/26/1066926226.db2.gz NXLUEXQEHBJBTG-QGZVFWFLSA-N 0 1 453.800 4.600 20 0 JJADMN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC001457816760 1066927145 /nfs/dbraw/zinc/92/71/45/1066927145.db2.gz DTHAADMQSUJGSC-KZNAEPCWSA-N 0 1 450.505 4.557 20 0 JJADMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CS[C@H](C)C3)c(Cl)cc2Cl)c1 ZINC001457860286 1066932673 /nfs/dbraw/zinc/93/26/73/1066932673.db2.gz JNKWCMIFQGPCAQ-TZMCWYRMSA-N 0 1 459.420 4.726 20 0 JJADMN C[C@]1(c2cccc(F)c2)CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC001457925141 1066942364 /nfs/dbraw/zinc/94/23/64/1066942364.db2.gz CCSPZLVFKWGIAO-VWLOTQADSA-N 0 1 453.583 4.575 20 0 JJADMN CN(C)C[C@@H](NC(=O)c1cc(Br)ncc1Cl)c1cccc(C(F)(F)F)c1 ZINC001457973790 1066950016 /nfs/dbraw/zinc/95/00/16/1066950016.db2.gz LLLJDBWYRYYVCK-CQSZACIVSA-N 0 1 450.686 4.549 20 0 JJADMN CC[C@@]1(C)CN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccsc2)N(C)C)CCO1 ZINC001546095549 1066950582 /nfs/dbraw/zinc/95/05/82/1066950582.db2.gz OVWFSEVGMBZDPY-RDGATRHJSA-N 0 1 453.656 4.547 20 0 JJADMN C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Br)[C@@H](C)CN1Cc1ccccc1 ZINC001457991561 1066953732 /nfs/dbraw/zinc/95/37/32/1066953732.db2.gz HDMRYBIUCWJRGB-HOTGVXAUSA-N 0 1 451.792 4.603 20 0 JJADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001458000125 1066955238 /nfs/dbraw/zinc/95/52/38/1066955238.db2.gz LSPHVGHUNCKRLL-PQNGQFLHSA-N 0 1 451.611 4.764 20 0 JJADMN C[C@@H]1CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)CN1Cc1ccccc1 ZINC001458000125 1066955248 /nfs/dbraw/zinc/95/52/48/1066955248.db2.gz LSPHVGHUNCKRLL-PQNGQFLHSA-N 0 1 451.611 4.764 20 0 JJADMN Cc1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001492876250 1066959551 /nfs/dbraw/zinc/95/95/51/1066959551.db2.gz NGTNWVFUXUSJSP-UHFFFAOYSA-N 0 1 453.509 4.567 20 0 JJADMN CC(C)c1c(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cnn1-c1ccc(Cl)cc1 ZINC001448847622 1066963828 /nfs/dbraw/zinc/96/38/28/1066963828.db2.gz KIPPUFYFVSUSNH-UHFFFAOYSA-N 0 1 452.002 4.649 20 0 JJADMN O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC001458079007 1066969412 /nfs/dbraw/zinc/96/94/12/1066969412.db2.gz DFZDZMFEBHWERK-UHFFFAOYSA-N 0 1 452.383 4.747 20 0 JJADMN CC[C@@H](c1nnc(N(C)[C@H](C)c2ccco2)n1C[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545717879 1066972192 /nfs/dbraw/zinc/97/21/92/1066972192.db2.gz SXJFTCSWPPAHFX-YFNKSVMNSA-N 0 1 465.642 4.967 20 0 JJADMN CC(C)c1c(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cnn1-c1ccccc1 ZINC001448959894 1066973171 /nfs/dbraw/zinc/97/31/71/1066973171.db2.gz DFQKOYANEFBDAM-UHFFFAOYSA-N 0 1 451.324 4.852 20 0 JJADMN CC[C@H](c1nnc(N(C)Cc2nccs2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545724435 1066981079 /nfs/dbraw/zinc/98/10/79/1066981079.db2.gz QGSQSCVAHLDIOP-VQTJNVASSA-N 0 1 450.612 4.809 20 0 JJADMN Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC001449129636 1066984454 /nfs/dbraw/zinc/98/44/54/1066984454.db2.gz HFXOXXMRXKSGIS-UHFFFAOYSA-N 0 1 453.713 4.899 20 0 JJADMN CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449264150 1066994178 /nfs/dbraw/zinc/99/41/78/1066994178.db2.gz XFGOVTKQHSVTNA-SEYXRHQNSA-N 0 1 450.848 4.786 20 0 JJADMN CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449264146 1066994196 /nfs/dbraw/zinc/99/41/96/1066994196.db2.gz XFGOVTKQHSVTNA-OUKQBFOZSA-N 0 1 450.848 4.786 20 0 JJADMN COC(=O)c1cccc2nc(NC(=O)C(C)(C)c3csc(-c4cc(F)ccc4F)n3)[nH]c21 ZINC001458166841 1066994283 /nfs/dbraw/zinc/99/42/83/1066994283.db2.gz DWEYPSLVXRUJLE-UHFFFAOYSA-N 0 1 456.474 4.668 20 0 JJADMN COc1cccc([C@H](C)N2CCN(c3ccnc(-c4ccc(Br)cc4)n3)CC2)c1 ZINC001458166835 1066994500 /nfs/dbraw/zinc/99/45/00/1066994500.db2.gz PHDPMNXJOBUNCD-KRWDZBQOSA-N 0 1 453.384 4.798 20 0 JJADMN CN(Cc1ccccc1)C1CN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001449334937 1067000724 /nfs/dbraw/zinc/00/07/24/1067000724.db2.gz WNJHZMVYSHDMRA-UHFFFAOYSA-N 0 1 459.377 4.709 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC001449335331 1067001349 /nfs/dbraw/zinc/00/13/49/1067001349.db2.gz UNHMJBRDPYGJSW-UHFFFAOYSA-N 0 1 457.405 4.681 20 0 JJADMN CCN1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)[C@@H](C)C1 ZINC001449337861 1067001517 /nfs/dbraw/zinc/00/15/17/1067001517.db2.gz SJCYHNCIZJUHCQ-SFHVURJKSA-N 0 1 450.608 4.657 20 0 JJADMN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001449375133 1067005279 /nfs/dbraw/zinc/00/52/79/1067005279.db2.gz RJMBPGJBGUFARG-HXUWFJFHSA-N 0 1 456.455 4.744 20 0 JJADMN O=C(NC[C@H](c1nc[nH]n1)c1ccccc1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC001449452230 1067010206 /nfs/dbraw/zinc/01/02/06/1067010206.db2.gz IGPNQJKXWKOXSU-SIKLNZKXSA-N 0 1 450.514 4.865 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545748740 1067018017 /nfs/dbraw/zinc/01/80/17/1067018017.db2.gz FEFHPVDPIVOWMR-ISJGIBHGSA-N 0 1 453.675 4.802 20 0 JJADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC001449611575 1067018107 /nfs/dbraw/zinc/01/81/07/1067018107.db2.gz XEUUPJJYTHFGGM-QGZVFWFLSA-N 0 1 458.400 4.581 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@@H](COC)C2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545749822 1067020900 /nfs/dbraw/zinc/02/09/00/1067020900.db2.gz UMFASTBTUGXRGB-YMPZKCBVSA-N 0 1 451.615 4.579 20 0 JJADMN CC(C)(NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC001449831439 1067030756 /nfs/dbraw/zinc/03/07/56/1067030756.db2.gz MCBOKVGOBRKMKI-UHFFFAOYSA-N 0 1 453.936 4.922 20 0 JJADMN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)cc1 ZINC001449904531 1067036055 /nfs/dbraw/zinc/03/60/55/1067036055.db2.gz XXGMYEZKDRJEPG-UHFFFAOYSA-N 0 1 458.537 4.959 20 0 JJADMN CC[C@H](C)n1c2ccc(NC(=O)C3CCC(N4CCOCC4)CC3)cc2nc1C(F)(F)F ZINC001449995829 1067040860 /nfs/dbraw/zinc/04/08/60/1067040860.db2.gz IRJHGSMODFGTRE-HJOIGYKYSA-N 0 1 452.521 4.856 20 0 JJADMN CCOC(=O)c1cnc(CC)nc1NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001458368005 1067043486 /nfs/dbraw/zinc/04/34/86/1067043486.db2.gz DEPMZICCRPSDAC-QGZVFWFLSA-N 0 1 458.912 4.907 20 0 JJADMN CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545760561 1067043845 /nfs/dbraw/zinc/04/38/45/1067043845.db2.gz FUMJFVNGETTWES-OUMDNPPYSA-N 0 1 483.701 4.571 20 0 JJADMN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001546019110 1067044944 /nfs/dbraw/zinc/04/49/44/1067044944.db2.gz OLDSVRWKZSVYKY-WDWDUUAGSA-N 0 1 487.664 4.724 20 0 JJADMN O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001450161115 1067056550 /nfs/dbraw/zinc/05/65/50/1067056550.db2.gz ZXKBICXXAOKRBT-LJQANCHMSA-N 0 1 455.480 4.512 20 0 JJADMN COc1ccc(C(=O)N(C)Cc2cccc(C)c2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001450194023 1067058975 /nfs/dbraw/zinc/05/89/75/1067058975.db2.gz NVGKELXEVSNTAJ-UHFFFAOYSA-N 0 1 452.576 4.693 20 0 JJADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c(I)cc2OC)c1 ZINC001450215503 1067060795 /nfs/dbraw/zinc/06/07/95/1067060795.db2.gz CECAXMNOAMIHIT-UHFFFAOYSA-N 0 1 459.667 4.504 20 0 JJADMN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001450241911 1067063364 /nfs/dbraw/zinc/06/33/64/1067063364.db2.gz UQARUELWDHFMRO-QGZVFWFLSA-N 0 1 451.832 4.922 20 0 JJADMN C[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245193 1067063973 /nfs/dbraw/zinc/06/39/73/1067063973.db2.gz HYIJKQMDKKZJEO-YADARESESA-N 0 1 451.611 4.767 20 0 JJADMN CCC(CC)(Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)C)CC1)OC ZINC001545774366 1067066378 /nfs/dbraw/zinc/06/63/78/1067066378.db2.gz MYOAXPXSOYFVQX-UHFFFAOYSA-N 0 1 478.479 4.752 20 0 JJADMN CCC(O)(CC)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001546022541 1067077715 /nfs/dbraw/zinc/07/77/15/1067077715.db2.gz HOUWMTBLQYDOCK-RBBKRZOGSA-N 0 1 490.092 4.914 20 0 JJADMN CCN(CC)[C@H](C(=O)NCc1cccc(C2(C)OCCO2)c1)c1cccc(C(F)(F)F)c1 ZINC001450459305 1067082332 /nfs/dbraw/zinc/08/23/32/1067082332.db2.gz FWAGWJJQUVYKSP-NRFANRHFSA-N 0 1 450.501 4.624 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC001450532560 1067087150 /nfs/dbraw/zinc/08/71/50/1067087150.db2.gz KDGPVJKFKLXJBJ-UHFFFAOYSA-N 0 1 451.548 4.719 20 0 JJADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cnn(-c4ccc(F)cc4)c3C(F)(F)F)[nH]2)c1 ZINC001450547811 1067089665 /nfs/dbraw/zinc/08/96/65/1067089665.db2.gz NYXZIYKSGCZJHZ-UHFFFAOYSA-N 0 1 459.403 4.990 20 0 JJADMN CCC(CC)(Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC1(C)C)SC ZINC001545792880 1067091201 /nfs/dbraw/zinc/09/12/01/1067091201.db2.gz POEFJUVFSPCTNN-UHFFFAOYSA-N 0 1 484.758 4.943 20 0 JJADMN CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1)OC ZINC001545803189 1067111996 /nfs/dbraw/zinc/11/19/96/1067111996.db2.gz JEJRLWZRBITBKQ-UARRHKHWSA-N 0 1 475.722 4.713 20 0 JJADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001450810011 1067125180 /nfs/dbraw/zinc/12/51/80/1067125180.db2.gz YTQNGRLJWCUYJB-UWJYYQICSA-N 0 1 451.567 4.841 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(C)C)N1CCOCC1 ZINC001545807725 1067127612 /nfs/dbraw/zinc/12/76/12/1067127612.db2.gz NGCORJXALPCOSU-RUZDIDTESA-N 0 1 464.658 4.723 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1)N1CCOCC1 ZINC001545808296 1067133080 /nfs/dbraw/zinc/13/30/80/1067133080.db2.gz WGPJIZRCUKTXLH-URXFXBBRSA-N 0 1 499.700 4.726 20 0 JJADMN Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)c1 ZINC001545808689 1067134971 /nfs/dbraw/zinc/13/49/71/1067134971.db2.gz GNBCQRLLRXJQKI-UHFFFAOYSA-N 0 1 451.592 4.727 20 0 JJADMN O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001545809151 1067135118 /nfs/dbraw/zinc/13/51/18/1067135118.db2.gz WHMCEOLPAAKWJM-HIFRSBDPSA-N 0 1 453.848 4.806 20 0 JJADMN CCOC(=O)c1c[nH]c(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)n1 ZINC001450907376 1067135390 /nfs/dbraw/zinc/13/53/90/1067135390.db2.gz BMCPISGJGOJNBK-UHFFFAOYSA-N 0 1 452.898 4.526 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3(C4CCC4)CCC3)ccc2OC)cc1 ZINC001450969607 1067137330 /nfs/dbraw/zinc/13/73/30/1067137330.db2.gz IYWIHYFXIDOOFC-UHFFFAOYSA-N 0 1 456.608 4.759 20 0 JJADMN CCOc1ccc(-n2c(SCc3n[nH]c(C(C)C)n3)nnc2-c2ccc(OC)cc2)cc1 ZINC001458771701 1067138608 /nfs/dbraw/zinc/13/86/08/1067138608.db2.gz FGZDDASMGVJILT-UHFFFAOYSA-N 0 1 450.568 4.875 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001451031848 1067140670 /nfs/dbraw/zinc/14/06/70/1067140670.db2.gz CPBIIRUHDVBHLG-CVEARBPZSA-N 0 1 456.921 4.818 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccccc1)N1CCOCC1 ZINC001545814401 1067142472 /nfs/dbraw/zinc/14/24/72/1067142472.db2.gz AQWAPYNFPWKIAO-ZODMCCGTSA-N 0 1 469.674 4.507 20 0 JJADMN CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)N1CCOCC1 ZINC001545817282 1067148040 /nfs/dbraw/zinc/14/80/40/1067148040.db2.gz HMGDBADXXSHVGN-GOTSBHOMSA-N 0 1 492.133 4.601 20 0 JJADMN CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCC[C@@H](SC)C1)N1CCOCC1 ZINC001545817390 1067149226 /nfs/dbraw/zinc/14/92/26/1067149226.db2.gz JIMISGSUHANFKN-FGZHOGPDSA-N 0 1 465.752 4.726 20 0 JJADMN CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(F)c(F)c1)N1CCOCC1 ZINC001545817523 1067149990 /nfs/dbraw/zinc/14/99/90/1067149990.db2.gz LIBQQKNXZSPXNV-HSZRJFAPSA-N 0 1 477.644 4.918 20 0 JJADMN CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1)N1CCOCC1 ZINC001545817681 1067151202 /nfs/dbraw/zinc/15/12/02/1067151202.db2.gz OAUMMRATXJYHEV-DEOSSOPVSA-N 0 1 471.665 4.771 20 0 JJADMN CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C)CC1)N1CCOCC1 ZINC001545819287 1067153626 /nfs/dbraw/zinc/15/36/26/1067153626.db2.gz COIQZBMLUUCOIX-BVAGGSTKSA-N 0 1 467.702 4.827 20 0 JJADMN CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C)CC1)N1CCOCC1 ZINC001545819396 1067154400 /nfs/dbraw/zinc/15/44/00/1067154400.db2.gz FDEMNPDNVPTIAQ-SQJMNOBHSA-N 0 1 487.664 4.760 20 0 JJADMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3C)cc2)cc1C ZINC001451211938 1067154599 /nfs/dbraw/zinc/15/45/99/1067154599.db2.gz OQPLLJAODQGWLC-UHFFFAOYSA-N 0 1 451.592 4.727 20 0 JJADMN CCC(CC)[C@H](Cn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819443 1067154771 /nfs/dbraw/zinc/15/47/71/1067154771.db2.gz FZLNGCLHSBJYAU-PKTZIBPZSA-N 0 1 487.689 4.794 20 0 JJADMN CCC(CC)[C@@H](Cn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819441 1067154884 /nfs/dbraw/zinc/15/48/84/1067154884.db2.gz FZLNGCLHSBJYAU-DHIUTWEWSA-N 0 1 487.689 4.794 20 0 JJADMN C[C@@H](C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1)C(C)(F)F ZINC001451244855 1067155239 /nfs/dbraw/zinc/15/52/39/1067155239.db2.gz KSYFUWFFGJUQBQ-HNNXBMFYSA-N 0 1 454.562 4.522 20 0 JJADMN CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCC1)N1CCOCC1 ZINC001545819616 1067155450 /nfs/dbraw/zinc/15/54/50/1067155450.db2.gz JMQJJDYQBTXKNI-XMMPIXPASA-N 0 1 473.637 4.514 20 0 JJADMN CCC(CC)[C@H](Cn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545820189 1067157852 /nfs/dbraw/zinc/15/78/52/1067157852.db2.gz SEDKGZCGNDXTSJ-UPVQGACJSA-N 0 1 483.701 4.715 20 0 JJADMN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c3cccnc23)N2CCCCC2)cc1 ZINC001458829174 1067160806 /nfs/dbraw/zinc/16/08/06/1067160806.db2.gz OLFXYERGYOVXRL-JOCHJYFZSA-N 0 1 453.970 4.619 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCC1)N1CCOCC1 ZINC001545821433 1067161308 /nfs/dbraw/zinc/16/13/08/1067161308.db2.gz CZYNSNOKXJPNLI-TZRRMPRUSA-N 0 1 475.722 4.714 20 0 JJADMN Cc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccccc4F)[C@H](NC(=O)OC(C)(C)C)C3)n[nH]2)cc1C ZINC001451411182 1067167498 /nfs/dbraw/zinc/16/74/98/1067167498.db2.gz MPURLDFICRUQEU-GBXCKJPGSA-N 0 1 478.568 4.966 20 0 JJADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CSc2nc(-c3ccccc3O)n[nH]2)cc1 ZINC001458864504 1067177924 /nfs/dbraw/zinc/17/79/24/1067177924.db2.gz YTYXMNHAMRJIMJ-MRXNPFEDSA-N 0 1 456.568 4.587 20 0 JJADMN 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O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC001452058156 1067205293 /nfs/dbraw/zinc/20/52/93/1067205293.db2.gz HVYJDJBKPQMWRQ-UHFFFAOYSA-N 0 1 458.952 4.845 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@]3(C)Cc3cccc(F)c3)[nH]n2)C1 ZINC001452094292 1067207098 /nfs/dbraw/zinc/20/70/98/1067207098.db2.gz UYEVAGWMAOYVEM-BVZFJXPGSA-N 0 1 456.562 4.511 20 0 JJADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(Br)c(Cl)cc2OC)[nH]1 ZINC001458954283 1067207430 /nfs/dbraw/zinc/20/74/30/1067207430.db2.gz LAMHSINSPPGMNF-UHFFFAOYSA-N 0 1 458.740 4.606 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC001452107416 1067207667 /nfs/dbraw/zinc/20/76/67/1067207667.db2.gz ZAAHKEBTEIRMDH-SFHVURJKSA-N 0 1 458.559 4.596 20 0 JJADMN C[C@H](NC(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1)c1ccc(Br)cc1 ZINC001458961480 1067209926 /nfs/dbraw/zinc/20/99/26/1067209926.db2.gz MGXQIOMXGYCZPM-ZDUSSCGKSA-N 0 1 457.397 4.692 20 0 JJADMN Cc1ccccc1NC(=O)Cc1nc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)cs1 ZINC001458962348 1067210037 /nfs/dbraw/zinc/21/00/37/1067210037.db2.gz VDHLZPATMRAJSY-UHFFFAOYSA-N 0 1 457.531 4.988 20 0 JJADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001452246680 1067215789 /nfs/dbraw/zinc/21/57/89/1067215789.db2.gz ACCNQJXCNDZGNI-QFIPXVFZSA-N 0 1 454.368 4.643 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CC[C@H](C)c2ccccc2)c1 ZINC001546105482 1067228847 /nfs/dbraw/zinc/22/88/47/1067228847.db2.gz JLEDVOGCTIUKKN-KRWDZBQOSA-N 0 1 454.548 4.724 20 0 JJADMN CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C[C@@H]1C(C)(C)C ZINC001452600190 1067236379 /nfs/dbraw/zinc/23/63/79/1067236379.db2.gz NPZMLQXBCZBMOX-HXUWFJFHSA-N 0 1 458.400 4.504 20 0 JJADMN CN1CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C[C@H]1C(C)(C)C ZINC001452605220 1067236406 /nfs/dbraw/zinc/23/64/06/1067236406.db2.gz WDARWQMMNVEKRV-QHCPKHFHSA-N 0 1 459.700 4.810 20 0 JJADMN COc1cccc2c1OCC[C@@H]2NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001452648079 1067240389 /nfs/dbraw/zinc/24/03/89/1067240389.db2.gz JTYSKJWGHDGEHK-INIZCTEOSA-N 0 1 458.923 4.622 20 0 JJADMN CCC1(CC)CCN(c2nnc(-c3ccccc3Br)n2CCN2CCSCC2)C1 ZINC001546105884 1067246352 /nfs/dbraw/zinc/24/63/52/1067246352.db2.gz AMSSSUVHEYTPNJ-UHFFFAOYSA-N 0 1 478.504 4.773 20 0 JJADMN Cc1sc2ncnc(SCC(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@H]3C)c2c1C ZINC001452779546 1067251855 /nfs/dbraw/zinc/25/18/55/1067251855.db2.gz XVLKRQVGRMBYMJ-CGTJXYLNSA-N 0 1 454.665 4.910 20 0 JJADMN Cc1sc2ncnc(SCC(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@@H]3C)c2c1C ZINC001452779551 1067251918 /nfs/dbraw/zinc/25/19/18/1067251918.db2.gz XVLKRQVGRMBYMJ-JQHSSLGASA-N 0 1 454.665 4.910 20 0 JJADMN COc1ccc([C@@H](CNC(=O)CSc2cc(C(F)(F)F)ccn2)N2CCCCC2)cc1 ZINC001459187287 1067268742 /nfs/dbraw/zinc/26/87/42/1067268742.db2.gz OZKNRWLWEJXEEP-LJQANCHMSA-N 0 1 453.530 4.545 20 0 JJADMN COc1cccc(N2CCN(CCSCc3c(F)ccc(Br)c3F)CC2)c1 ZINC001459253529 1067277620 /nfs/dbraw/zinc/27/76/20/1067277620.db2.gz XPCGSZVOPPWWIH-UHFFFAOYSA-N 0 1 457.384 4.791 20 0 JJADMN COc1cccc(N2CCN(CCS[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001459253503 1067277806 /nfs/dbraw/zinc/27/78/06/1067277806.db2.gz XLEZRJSOTVOPNP-FQEVSTJZSA-N 0 1 455.668 4.875 20 0 JJADMN C[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1cc2ccccc2o1 ZINC001453125616 1067281459 /nfs/dbraw/zinc/28/14/59/1067281459.db2.gz KATYDVHFQFCGDI-JVPBZIDWSA-N 0 1 462.443 4.739 20 0 JJADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCC(CCc2ccc(O)cc2)CC1 ZINC001459311285 1067291125 /nfs/dbraw/zinc/29/11/25/1067291125.db2.gz JITMBOISGASCBI-UHFFFAOYSA-N 0 1 451.430 4.519 20 0 JJADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Cc1cccc(OCc2cccnc2)c1 ZINC001453271438 1067292987 /nfs/dbraw/zinc/29/29/87/1067292987.db2.gz SXIOQIMZWRQFAV-UHFFFAOYSA-N 0 1 454.452 4.757 20 0 JJADMN CCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](C)c1cc2ccccc2o1 ZINC001459342828 1067298839 /nfs/dbraw/zinc/29/88/39/1067298839.db2.gz GJMSLKUETXFMLI-KRWDZBQOSA-N 0 1 451.523 4.715 20 0 JJADMN Cc1ccc([C@H](C)N(C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC001459349389 1067300751 /nfs/dbraw/zinc/30/07/51/1067300751.db2.gz KWZAEEYUIRSONL-IBGZPJMESA-N 0 1 459.546 4.916 20 0 JJADMN CCCCCCN(C)CC(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 ZINC001453458270 1067307190 /nfs/dbraw/zinc/30/71/90/1067307190.db2.gz BIUAZICWCPCMEC-UHFFFAOYSA-N 0 1 450.406 4.900 20 0 JJADMN CC(C)[C@H]1CN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CCN1Cc1ccccc1 ZINC001453496444 1067309305 /nfs/dbraw/zinc/30/93/05/1067309305.db2.gz MFPKZDMSYGGFBE-OAQYLSRUSA-N 0 1 457.496 4.942 20 0 JJADMN CN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395191 1067312329 /nfs/dbraw/zinc/31/23/29/1067312329.db2.gz NRDIFNNIOUYOCU-OAQYLSRUSA-N 0 1 453.936 4.744 20 0 JJADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459398585 1067313089 /nfs/dbraw/zinc/31/30/89/1067313089.db2.gz WSNOJNFUPXCLAN-MDKPJZGXSA-N 0 1 454.442 4.674 20 0 JJADMN CN(CCCCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001459404866 1067314632 /nfs/dbraw/zinc/31/46/32/1067314632.db2.gz IEAVANGZIBJIIP-UHFFFAOYSA-N 0 1 457.477 4.946 20 0 JJADMN C[C@@](CO)(NC(=O)C(F)(F)c1ccccc1Br)c1cccc(C(F)(F)F)c1 ZINC001453690482 1067322753 /nfs/dbraw/zinc/32/27/53/1067322753.db2.gz AXFVKFUFBIGWJN-INIZCTEOSA-N 0 1 452.217 4.584 20 0 JJADMN Cc1cc(C)c(NC(=O)CCCN(CCO)Cc2cc(Br)ccc2F)c(C)c1 ZINC001459437581 1067324769 /nfs/dbraw/zinc/32/47/69/1067324769.db2.gz GBCICHXUGAXQLM-UHFFFAOYSA-N 0 1 451.380 4.727 20 0 JJADMN C[C@@H]1CN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001459489209 1067337156 /nfs/dbraw/zinc/33/71/56/1067337156.db2.gz OTEIUNMTSRLEGU-YYDVJCTNSA-N 0 1 457.640 4.674 20 0 JJADMN CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459580493 1067356735 /nfs/dbraw/zinc/35/67/35/1067356735.db2.gz DMBJAIZLIJIKAV-NVXWUHKLSA-N 0 1 457.434 4.554 20 0 JJADMN Cc1cc(NC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n(-c2ccc(F)cc2)n1 ZINC001459611891 1067363479 /nfs/dbraw/zinc/36/34/79/1067363479.db2.gz YTSTVFXNNKGQGR-NHCUHLMSSA-N 0 1 456.587 4.688 20 0 JJADMN Cc1cc(N2CCC[C@@H](N3CCC(N(C)c4ccccc4)CC3)C2=O)ccc1Br ZINC001459623054 1067366792 /nfs/dbraw/zinc/36/67/92/1067366792.db2.gz DFLZSEYPECKXLT-HSZRJFAPSA-N 0 1 456.428 4.854 20 0 JJADMN COc1ccc(C[C@H]2CCN2[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)cc1 ZINC001459660619 1067374346 /nfs/dbraw/zinc/37/43/46/1067374346.db2.gz ZJUPVYDXSFJFLZ-IFMALSPDSA-N 0 1 457.412 4.887 20 0 JJADMN C[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459668601 1067378070 /nfs/dbraw/zinc/37/80/70/1067378070.db2.gz LMHNHUNRUGSEMH-GCJKJVERSA-N 0 1 459.575 4.555 20 0 JJADMN CCN(Cc1nc2sc(C)c(C)c2c(N)n1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459674718 1067380157 /nfs/dbraw/zinc/38/01/57/1067380157.db2.gz YWGNWHKNDNTSFF-UHFFFAOYSA-N 0 1 453.660 4.603 20 0 JJADMN CCN(Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001459674512 1067380275 /nfs/dbraw/zinc/38/02/75/1067380275.db2.gz XFMSUISMGCYWPX-UHFFFAOYSA-N 0 1 456.541 4.728 20 0 JJADMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC001459697758 1067387469 /nfs/dbraw/zinc/38/74/69/1067387469.db2.gz ZJDIMOFEIQMGFR-UHFFFAOYSA-N 0 1 451.479 4.790 20 0 JJADMN CN1CCN(CC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)C(C)(C)C1 ZINC001459761382 1067411892 /nfs/dbraw/zinc/41/18/92/1067411892.db2.gz BOOPQOTTXNWHNB-UHFFFAOYSA-N 0 1 459.638 4.801 20 0 JJADMN O=C(CN1CCC(c2ccccc2C(F)(F)F)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459765925 1067413479 /nfs/dbraw/zinc/41/34/79/1067413479.db2.gz WWLSKALRDMVEMA-JOCHJYFZSA-N 0 1 450.476 4.624 20 0 JJADMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792851 1067425672 /nfs/dbraw/zinc/42/56/72/1067425672.db2.gz WDKWFECZMOBFBV-UNIVCBNLSA-N 0 1 454.634 4.671 20 0 JJADMN CC[C@H](NCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC)c1ccc(F)cc1 ZINC001459799045 1067428610 /nfs/dbraw/zinc/42/86/10/1067428610.db2.gz QAAOPZXZGVYCPO-NRFANRHFSA-N 0 1 458.603 4.611 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]21 ZINC001459805611 1067431215 /nfs/dbraw/zinc/43/12/15/1067431215.db2.gz OADSDJOCUTYCFX-ZTFGCOKTSA-N 0 1 455.571 4.565 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]21 ZINC001459805606 1067431267 /nfs/dbraw/zinc/43/12/67/1067431267.db2.gz OADSDJOCUTYCFX-BMGDILEWSA-N 0 1 455.571 4.565 20 0 JJADMN CC[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837891 1067446934 /nfs/dbraw/zinc/44/69/34/1067446934.db2.gz WNZCCNIOEGBOEZ-SCLBCKFNSA-N 0 1 459.518 4.927 20 0 JJADMN COc1cc([C@@H](C)NCC(=O)NCc2ccc(F)cc2C(F)(F)F)ccc1OCC(C)C ZINC001459840521 1067448067 /nfs/dbraw/zinc/44/80/67/1067448067.db2.gz IZYLMLNLZBSQNR-OAHLLOKOSA-N 0 1 456.480 4.855 20 0 JJADMN Cc1cc(I)ccc1NC(=O)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC001459848854 1067454131 /nfs/dbraw/zinc/45/41/31/1067454131.db2.gz ULNPKHFBFXPNTA-OAHLLOKOSA-N 0 1 452.336 4.676 20 0 JJADMN CCCOc1ccc([C@H](C)N[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)cc1OC ZINC001459849281 1067454576 /nfs/dbraw/zinc/45/45/76/1067454576.db2.gz BNGBMBVLNRZSMU-REIDKSKDSA-N 0 1 456.583 4.992 20 0 JJADMN O=C1[C@H](N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CCN1C1CCOCC1 ZINC001459850097 1067455198 /nfs/dbraw/zinc/45/51/98/1067455198.db2.gz NELFJFGBUJAGSZ-YADHBBJMSA-N 0 1 451.369 4.786 20 0 JJADMN CC[C@H](C)[C@H](NCC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459850854 1067456176 /nfs/dbraw/zinc/45/61/76/1067456176.db2.gz OLJDDRKVUWPTGM-DFBJGRDBSA-N 0 1 456.030 4.764 20 0 JJADMN C[C@@H](N[C@H](C)c1ccc(F)c(Br)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC001459851643 1067456763 /nfs/dbraw/zinc/45/67/63/1067456763.db2.gz RIYHANXNCZQEBO-RNFRBKRXSA-N 0 1 455.196 4.962 20 0 JJADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865756 1067463582 /nfs/dbraw/zinc/46/35/82/1067463582.db2.gz YROVUKJTIHHNLX-LSDHHAIUSA-N 0 1 450.377 4.839 20 0 JJADMN CCOC(=O)c1[nH]c(C)c(C(=O)CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1C ZINC001459867543 1067464635 /nfs/dbraw/zinc/46/46/35/1067464635.db2.gz JPPIPJZOVKEXLP-JOCHJYFZSA-N 0 1 452.526 4.712 20 0 JJADMN C[C@H](NCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868962 1067465872 /nfs/dbraw/zinc/46/58/72/1067465872.db2.gz RTCBTXGBFPYZGN-WTYVLRPYSA-N 0 1 459.565 4.851 20 0 JJADMN CCOc1ccc(-c2nc(CN[C@H](C)c3cc(F)ccc3N3CCN(CC)CC3)co2)cc1 ZINC001459873293 1067468408 /nfs/dbraw/zinc/46/84/08/1067468408.db2.gz CCHIRXRQWUSXCV-LJQANCHMSA-N 0 1 452.574 4.872 20 0 JJADMN COc1ccc2oc([C@H](C)NCC(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904833 1067481842 /nfs/dbraw/zinc/48/18/42/1067481842.db2.gz OKAVEDKUFGIUCE-JTSKRJEESA-N 0 1 452.551 4.781 20 0 JJADMN COc1ccc2oc([C@H](C)NCC(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904831 1067481851 /nfs/dbraw/zinc/48/18/51/1067481851.db2.gz OKAVEDKUFGIUCE-HTAPYJJXSA-N 0 1 452.551 4.781 20 0 JJADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC001459906075 1067483009 /nfs/dbraw/zinc/48/30/09/1067483009.db2.gz NECUAUCWYHCHHG-ZDUSSCGKSA-N 0 1 455.381 4.740 20 0 JJADMN C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001459910017 1067485138 /nfs/dbraw/zinc/48/51/38/1067485138.db2.gz UCPPYOMDCJUSTD-VKIDHGPPSA-N 0 1 451.611 4.738 20 0 JJADMN COCCN(CCCOc1c(Br)cccc1Br)Cc1cccnc1 ZINC001459949409 1067503963 /nfs/dbraw/zinc/50/39/63/1067503963.db2.gz DLUSXIKUABWZRZ-UHFFFAOYSA-N 0 1 458.194 4.524 20 0 JJADMN CC(C)N1C(=O)C[C@H](N[C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459954309 1067505884 /nfs/dbraw/zinc/50/58/84/1067505884.db2.gz YVVSOHHNZQNRKI-LPLGYCIKSA-N 0 1 452.357 4.800 20 0 JJADMN CC(C)N1C(=O)C[C@H](N[C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459954307 1067506007 /nfs/dbraw/zinc/50/60/07/1067506007.db2.gz YVVSOHHNZQNRKI-JBZDTAIVSA-N 0 1 452.357 4.800 20 0 JJADMN Cc1ccc(-c2cc(NC(=O)CN(C)Cc3cc(C(C)(C)C)[nH]n3)n(-c3ccccc3)n2)cc1 ZINC001460017741 1067529584 /nfs/dbraw/zinc/52/95/84/1067529584.db2.gz HFVCZXMADVMRSS-UHFFFAOYSA-N 0 1 456.594 4.939 20 0 JJADMN C[C@@H]1CCc2c(sc3nc(CN[C@@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024528 1067532140 /nfs/dbraw/zinc/53/21/40/1067532140.db2.gz XAMLXLBOBVSQLO-RHSMWYFYSA-N 0 1 459.660 4.524 20 0 JJADMN O=C(CCN[C@H](CO)c1ccccc1OC(F)(F)F)NC(c1ccccc1)c1ccccc1 ZINC001460053021 1067539779 /nfs/dbraw/zinc/53/97/79/1067539779.db2.gz FWYLYEKJPYGENI-OAQYLSRUSA-N 0 1 458.480 4.504 20 0 JJADMN CN(Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460081659 1067549035 /nfs/dbraw/zinc/54/90/35/1067549035.db2.gz PUTLVFPZONEHSD-IBGZPJMESA-N 0 1 458.427 4.857 20 0 JJADMN O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001460083767 1067549473 /nfs/dbraw/zinc/54/94/73/1067549473.db2.gz VZELAMQVENHJTA-JOCHJYFZSA-N 0 1 452.986 4.536 20 0 JJADMN CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC001460094327 1067553154 /nfs/dbraw/zinc/55/31/54/1067553154.db2.gz QMHIIOOPIPGDPX-HRAATJIYSA-N 0 1 452.437 4.656 20 0 JJADMN COc1ccc(/C(C)=C/C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)cc1 ZINC001460095734 1067553540 /nfs/dbraw/zinc/55/35/40/1067553540.db2.gz XQMIWSQPXOYQEB-MAUBAPBLSA-N 0 1 458.400 4.640 20 0 JJADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001460097498 1067554310 /nfs/dbraw/zinc/55/43/10/1067554310.db2.gz VQQFMZJKDPGSSD-AWEZNQCLSA-N 0 1 457.347 4.529 20 0 JJADMN CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC001460097443 1067554566 /nfs/dbraw/zinc/55/45/66/1067554566.db2.gz VKIWODPGJPLRHJ-ORYQWCPZSA-N 0 1 456.428 4.894 20 0 JJADMN O=C(CN1CCC(c2ccnc3ccccc32)CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC001460125410 1067560071 /nfs/dbraw/zinc/56/00/71/1067560071.db2.gz BABRQINWTQZCHN-UHFFFAOYSA-N 0 1 457.496 4.628 20 0 JJADMN CC[C@H]1CN(CC)CCN1CC(=O)N(Cc1ccccc1)c1nc2c(ccc(C)c2C)s1 ZINC001460136380 1067562386 /nfs/dbraw/zinc/56/23/86/1067562386.db2.gz AMOUZXWZTFHEQJ-QFIPXVFZSA-N 0 1 450.652 4.862 20 0 JJADMN O[C@@H](COc1ccccc1C(F)(F)F)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460139432 1067563115 /nfs/dbraw/zinc/56/31/15/1067563115.db2.gz HZWCGJMSSXTOOT-CYBMUJFWSA-N 0 1 454.436 4.800 20 0 JJADMN CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001460155831 1067566523 /nfs/dbraw/zinc/56/65/23/1067566523.db2.gz BRMILBCSABPLIP-PWRODBHTSA-N 0 1 459.631 4.771 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155687 1067566546 /nfs/dbraw/zinc/56/65/46/1067566546.db2.gz AWHHSHIFNXPCNC-IAGOWNOFSA-N 0 1 453.986 4.777 20 0 JJADMN Cc1ccccc1CN(Cc1ccccn1)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158468 1067567301 /nfs/dbraw/zinc/56/73/01/1067567301.db2.gz PNCLIJVCEDLHJM-SQHAQQRYSA-N 0 1 451.611 4.808 20 0 JJADMN CCc1ccc([C@H]2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC001460165450 1067568325 /nfs/dbraw/zinc/56/83/25/1067568325.db2.gz KPOFOABNZBHBSQ-VWLOTQADSA-N 0 1 455.602 4.915 20 0 JJADMN C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)CCc1cccc(Br)c1 ZINC001460168427 1067568738 /nfs/dbraw/zinc/56/87/38/1067568738.db2.gz DIKGXIPNIUDPCA-INIZCTEOSA-N 0 1 453.808 4.503 20 0 JJADMN COC(=O)c1cc2cc(CN(CCc3ccc(Cl)cc3)C[C@H](O)C(F)(F)F)ccc2o1 ZINC001460174424 1067570541 /nfs/dbraw/zinc/57/05/41/1067570541.db2.gz IYVAPGDADNKGGM-FQEVSTJZSA-N 0 1 455.860 4.841 20 0 JJADMN C[C@H](NCC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC001460180421 1067572233 /nfs/dbraw/zinc/57/22/33/1067572233.db2.gz SQXBKUPMOHEODU-FQEVSTJZSA-N 0 1 451.586 4.621 20 0 JJADMN CC(C)[C@H](CNC(=O)CN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196273 1067576424 /nfs/dbraw/zinc/57/64/24/1067576424.db2.gz KGBLTTQSLJVIOF-ZEQRLZLVSA-N 0 1 457.659 4.511 20 0 JJADMN CC(C)[C@@H](CNC(=O)CN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 ZINC001460196238 1067576556 /nfs/dbraw/zinc/57/65/56/1067576556.db2.gz KGBLTTQSLJVIOF-BJKOFHAPSA-N 0 1 457.659 4.511 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCC(OC3CCCCC3)CC2)c2ccccc2)cc1 ZINC001460205562 1067578613 /nfs/dbraw/zinc/57/86/13/1067578613.db2.gz ZYNFJABPFADKEE-SANMLTNESA-N 0 1 456.652 4.828 20 0 JJADMN COC(=O)[C@@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1Cl ZINC001460220736 1067583230 /nfs/dbraw/zinc/58/32/30/1067583230.db2.gz AEMABEDAORDGFH-CAOCKLPOSA-N 0 1 452.957 4.951 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)C[C@H]1c1cccc(F)c1 ZINC001460233694 1067586233 /nfs/dbraw/zinc/58/62/33/1067586233.db2.gz MKKHDDYKTVYPQL-GHTZIAJQSA-N 0 1 461.965 4.800 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1F ZINC001460237726 1067587785 /nfs/dbraw/zinc/58/77/85/1067587785.db2.gz BRWSYPYXOUCGMX-CEWLAPEOSA-N 0 1 468.491 4.871 20 0 JJADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001460240530 1067589053 /nfs/dbraw/zinc/58/90/53/1067589053.db2.gz LTMXLYJYNHGKRD-IAGOWNOFSA-N 0 1 456.562 4.622 20 0 JJADMN COc1ccccc1-c1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)s1 ZINC001460269018 1067594222 /nfs/dbraw/zinc/59/42/22/1067594222.db2.gz HBOKYALCOHJANB-UHFFFAOYSA-N 0 1 457.309 4.884 20 0 JJADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001460274293 1067595718 /nfs/dbraw/zinc/59/57/18/1067595718.db2.gz XCNRRTJEVQRXPP-XODKDNOYSA-N 0 1 457.615 4.823 20 0 JJADMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274722 1067595754 /nfs/dbraw/zinc/59/57/54/1067595754.db2.gz YTSFCYXSQOLIIW-GDBMZVCRSA-N 0 1 457.571 4.733 20 0 JJADMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001460274722 1067595758 /nfs/dbraw/zinc/59/57/58/1067595758.db2.gz YTSFCYXSQOLIIW-GDBMZVCRSA-N 0 1 457.571 4.733 20 0 JJADMN Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460343305 1067612913 /nfs/dbraw/zinc/61/29/13/1067612913.db2.gz ZGMSFZKEMJREQR-CVDCTZTESA-N 0 1 458.647 4.549 20 0 JJADMN Brc1ccc([C@H]2COCCN2Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC001460356900 1067616969 /nfs/dbraw/zinc/61/69/69/1067616969.db2.gz AGSRPEUXRFLJHV-QGZVFWFLSA-N 0 1 451.162 4.661 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC001460360606 1067617961 /nfs/dbraw/zinc/61/79/61/1067617961.db2.gz CWMKWJSCJYESRH-WAOWUJCRSA-N 0 1 459.562 4.765 20 0 JJADMN O=C([N-][C@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460364201 1067619066 /nfs/dbraw/zinc/61/90/66/1067619066.db2.gz MEKIYBWDRUHURZ-UNMCSNQZSA-N 0 1 460.471 4.894 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NCCC2CCCCC2)C1 ZINC001460408674 1067629128 /nfs/dbraw/zinc/62/91/28/1067629128.db2.gz LYCRCWSZRYYNMC-DHIUTWEWSA-N 0 1 461.622 4.595 20 0 JJADMN CC[C@@]1(Cc2ccccc2)CCCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC001460413825 1067630765 /nfs/dbraw/zinc/63/07/65/1067630765.db2.gz XUEUCYGIYROPEX-URXFXBBRSA-N 0 1 459.512 4.780 20 0 JJADMN CC(C)CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccc(C(F)(F)F)c1 ZINC001460510831 1067646596 /nfs/dbraw/zinc/64/65/96/1067646596.db2.gz BWINFCHQQXLVQB-UHFFFAOYSA-N 0 1 451.508 4.651 20 0 JJADMN Cc1ccc(Cl)c(OC[C@H](O)CN2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1 ZINC001460536868 1067653157 /nfs/dbraw/zinc/65/31/57/1067653157.db2.gz AMGHCMUVVADNAE-LJQANCHMSA-N 0 1 457.977 4.797 20 0 JJADMN COc1ccc([C@@H]2CCN([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570475 1067658236 /nfs/dbraw/zinc/65/82/36/1067658236.db2.gz OUBUQMNZOGOGHV-WIYYLYMNSA-N 0 1 450.476 4.834 20 0 JJADMN O=C(NC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1)C(F)(F)F ZINC001460587067 1067663270 /nfs/dbraw/zinc/66/32/70/1067663270.db2.gz IIRDVXYWURBDIU-CYBMUJFWSA-N 0 1 458.839 4.802 20 0 JJADMN CN(CCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)C(=O)OC(C)(C)C ZINC001460606926 1067669723 /nfs/dbraw/zinc/66/97/23/1067669723.db2.gz VRXCYNVRMULUPW-UHFFFAOYSA-N 0 1 453.627 4.640 20 0 JJADMN C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1CC(=O)NCCOc1cccc(F)c1 ZINC001460642061 1067682767 /nfs/dbraw/zinc/68/27/67/1067682767.db2.gz BTHPMPJZHMLBMZ-JOCHJYFZSA-N 0 1 456.455 4.576 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC001460647529 1067685224 /nfs/dbraw/zinc/68/52/24/1067685224.db2.gz ACEYUVUWDQNDRO-BVAGGSTKSA-N 0 1 458.549 4.743 20 0 JJADMN COc1ccc([C@@H]2CN(CCOc3ccc(F)c(Cl)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649806 1067686771 /nfs/dbraw/zinc/68/67/71/1067686771.db2.gz HHRJGIROPSZUIS-SIKLNZKXSA-N 0 1 464.965 4.859 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001460680178 1067699148 /nfs/dbraw/zinc/69/91/48/1067699148.db2.gz SIHYISLNOKNDKJ-QFIPXVFZSA-N 0 1 457.537 4.907 20 0 JJADMN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(C[C@H](OC)c1ccc(Cl)cc1)C(C)C ZINC001460713941 1067707251 /nfs/dbraw/zinc/70/72/51/1067707251.db2.gz USFFNROARTWBHV-YJBOKZPZSA-N 0 1 453.004 4.922 20 0 JJADMN COc1ccc(C(=O)[N-]C(=O)C[N@H+](C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)cc1 ZINC001460718650 1067708677 /nfs/dbraw/zinc/70/86/77/1067708677.db2.gz NTPIUKUGBGWHRG-UHFFFAOYSA-N 0 1 456.901 4.668 20 0 JJADMN COc1ccc(C(=O)[N-]C(=O)C[N@@H+](C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)cc1 ZINC001460718650 1067708687 /nfs/dbraw/zinc/70/86/87/1067708687.db2.gz NTPIUKUGBGWHRG-UHFFFAOYSA-N 0 1 456.901 4.668 20 0 JJADMN C[C@H](CC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)n1cc(Br)cn1 ZINC001460721208 1067708811 /nfs/dbraw/zinc/70/88/11/1067708811.db2.gz CINHJNMXHDQYRY-PXAZEXFGSA-N 0 1 450.768 4.880 20 0 JJADMN Cc1cc2oc(=O)cc(CN3C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C3)c2cc1C ZINC001460750883 1067716041 /nfs/dbraw/zinc/71/60/41/1067716041.db2.gz XNBLIIBUTMSTPN-WMZOPIPTSA-N 0 1 454.489 4.545 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1O ZINC001460779610 1067722018 /nfs/dbraw/zinc/72/20/18/1067722018.db2.gz WYHNJPOLYGZQDE-SANMLTNESA-N 0 1 456.583 4.674 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460779610 1067722026 /nfs/dbraw/zinc/72/20/26/1067722026.db2.gz WYHNJPOLYGZQDE-SANMLTNESA-N 0 1 456.583 4.674 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc(=O)oc2cc1[O-] ZINC001460779610 1067722031 /nfs/dbraw/zinc/72/20/31/1067722031.db2.gz WYHNJPOLYGZQDE-SANMLTNESA-N 0 1 456.583 4.674 20 0 JJADMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](N[C@H](CC)CO)c1ccccc1 ZINC001460797003 1067725452 /nfs/dbraw/zinc/72/54/52/1067725452.db2.gz ZGHZOQAUQMIVCM-KNQAVFIVSA-N 0 1 452.576 4.632 20 0 JJADMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccc(SC(F)(F)F)c1 ZINC001460801799 1067726646 /nfs/dbraw/zinc/72/66/46/1067726646.db2.gz ASMMOLXXEWOJEM-GFCCVEGCSA-N 0 1 455.893 4.822 20 0 JJADMN CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC001460800030 1067726667 /nfs/dbraw/zinc/72/66/67/1067726667.db2.gz HEXYYFSZPSVWMR-UGKGYDQZSA-N 0 1 452.364 4.724 20 0 JJADMN C[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(SC(F)(F)F)c1 ZINC001460805012 1067727498 /nfs/dbraw/zinc/72/74/98/1067727498.db2.gz VMVMZUJBCSERHM-LLVKDONJSA-N 0 1 457.543 4.627 20 0 JJADMN OC[C@@H](NCc1ccc(I)c(Cl)c1)c1ccccc1C(F)(F)F ZINC001460840303 1067732649 /nfs/dbraw/zinc/73/26/49/1067732649.db2.gz YDMXUSMGYGIKCD-OAHLLOKOSA-N 0 1 455.645 4.787 20 0 JJADMN C[C@H](CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccc(F)c(Br)c1 ZINC001460857379 1067735881 /nfs/dbraw/zinc/73/58/81/1067735881.db2.gz ZTNLUJDSYYSPBV-CYBMUJFWSA-N 0 1 453.318 4.957 20 0 JJADMN CC(C)(C)C[C@H](NC(=O)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1)c1ccc(F)cc1 ZINC001460882526 1067741705 /nfs/dbraw/zinc/74/17/05/1067741705.db2.gz GLUONIZCMSGCEU-SJBKTWHCSA-N 0 1 461.622 4.608 20 0 JJADMN COc1ccccc1NC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC001460910710 1067746558 /nfs/dbraw/zinc/74/65/58/1067746558.db2.gz ZIAAKITXJRJITF-MZLICYQSSA-N 0 1 459.590 4.765 20 0 JJADMN CCOc1cc(CNCc2cccc(NC(=O)c3ccco3)c2)cc(Br)c1OC ZINC001461037182 1067767032 /nfs/dbraw/zinc/76/70/32/1067767032.db2.gz GRENYHBYKNRJMM-UHFFFAOYSA-N 0 1 459.340 4.992 20 0 JJADMN CN1CCN(C(=O)c2ccc(CNCc3ccc(-c4cccc(C(F)(F)F)c4)o3)cc2)CC1 ZINC001461051332 1067770063 /nfs/dbraw/zinc/77/00/63/1067770063.db2.gz JOQICGOABULUMH-UHFFFAOYSA-N 0 1 457.496 4.643 20 0 JJADMN CCOc1cc(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c(F)cc1OC ZINC001461053035 1067770680 /nfs/dbraw/zinc/77/06/80/1067770680.db2.gz YHPRMHLZQXEJPL-QRWLVFNGSA-N 0 1 454.945 4.577 20 0 JJADMN Cc1ccc(Cn2cc(CNCC(=O)N(C)Cc3ccccc3)c(-c3ccc(C)cc3)n2)cc1 ZINC001461064377 1067773936 /nfs/dbraw/zinc/77/39/36/1067773936.db2.gz FPEFZSZJEMMNCY-UHFFFAOYSA-N 0 1 452.602 4.963 20 0 JJADMN O=C1CCc2cc(OC[C@@H](O)CNCc3c(Cl)cccc3Oc3ccccc3)ccc2N1 ZINC001461092676 1067780493 /nfs/dbraw/zinc/78/04/93/1067780493.db2.gz JWTJRYDTIUWWRG-SFHVURJKSA-N 0 1 452.938 4.547 20 0 JJADMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNCCC(=O)N1CCCCCC1 ZINC001461118108 1067784857 /nfs/dbraw/zinc/78/48/57/1067784857.db2.gz BWJQUZQWXIJAKQ-UHFFFAOYSA-N 0 1 450.558 4.994 20 0 JJADMN CC[C@H](C)[C@@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146090 1067788545 /nfs/dbraw/zinc/78/85/45/1067788545.db2.gz AUTBRPKNVJAXSS-BXKMTCNYSA-N 0 1 450.558 4.823 20 0 JJADMN Cc1ccc(OCc2nc(CNC[C@H](c3cccc(Cl)c3)N3CCOCC3)cs2)cc1 ZINC001461171761 1067792404 /nfs/dbraw/zinc/79/24/04/1067792404.db2.gz CJKHGRPJBXIOGG-HSZRJFAPSA-N 0 1 458.027 4.847 20 0 JJADMN C/C(=C\c1ccccc1OC(F)F)CNCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001461179263 1067793359 /nfs/dbraw/zinc/79/33/59/1067793359.db2.gz IJZQVBHWXAPNLN-OBGWFSINSA-N 0 1 450.551 4.656 20 0 JJADMN Nc1c(Br)cc(Br)cc1CNCc1csc(Br)c1 ZINC001461178826 1067793402 /nfs/dbraw/zinc/79/34/02/1067793402.db2.gz VGGPOSKJQXCMJY-UHFFFAOYSA-N 0 1 455.013 4.908 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCC1 ZINC001461197922 1067797850 /nfs/dbraw/zinc/79/78/50/1067797850.db2.gz ZESOJKQCUQYVKE-LJQANCHMSA-N 0 1 451.974 4.623 20 0 JJADMN CCOc1cc(CNCc2cc(Br)c(OC)c(Br)c2)ccc1OC ZINC001461203809 1067798580 /nfs/dbraw/zinc/79/85/80/1067798580.db2.gz IYJJOSUMDOILLB-UHFFFAOYSA-N 0 1 459.178 4.917 20 0 JJADMN COc1cccc(Oc2ncccc2CNCc2c(Cl)cccc2N2CCN(C)CC2)c1 ZINC001461236580 1067806410 /nfs/dbraw/zinc/80/64/10/1067806410.db2.gz VBIDXHPNSHYHRW-UHFFFAOYSA-N 0 1 452.986 4.578 20 0 JJADMN CCOc1cc(CN[C@@H](c2ccc(F)cc2F)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC001461257611 1067811932 /nfs/dbraw/zinc/81/19/32/1067811932.db2.gz ZMSPNHOLGLEMOU-AREMUKBSSA-N 0 1 458.549 4.996 20 0 JJADMN CS(=O)(=O)Cc1ccc(F)cc1CNCc1ccc(-c2ccc(Br)cc2)o1 ZINC001461258269 1067812486 /nfs/dbraw/zinc/81/24/86/1067812486.db2.gz ZEZFYNPTFMZRNP-UHFFFAOYSA-N 0 1 452.345 4.683 20 0 JJADMN COc1cc(OC)cc(OCCNCc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1 ZINC001461282454 1067817729 /nfs/dbraw/zinc/81/77/29/1067817729.db2.gz LMOVBNJLQVGELT-UHFFFAOYSA-N 0 1 450.366 4.732 20 0 JJADMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001461298615 1067822204 /nfs/dbraw/zinc/82/22/04/1067822204.db2.gz DFSKRPATPLNUNC-IPMKNSEASA-N 0 1 453.583 4.985 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC001461307026 1067824432 /nfs/dbraw/zinc/82/44/32/1067824432.db2.gz HJSNQINRAHZXMH-RNIPGJKVSA-N 0 1 450.549 4.676 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC001461330060 1067830298 /nfs/dbraw/zinc/83/02/98/1067830298.db2.gz DSZGFUKFMFPCLR-NRFANRHFSA-N 0 1 458.393 4.549 20 0 JJADMN COCCN(CC(=O)Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1)C(=O)OC(C)(C)C ZINC001461336959 1067831973 /nfs/dbraw/zinc/83/19/73/1067831973.db2.gz SFROUTDROIQIFO-UHFFFAOYSA-N 0 1 458.946 4.705 20 0 JJADMN COc1cc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)ccc1OCc1c(C)noc1C ZINC001461405078 1067847653 /nfs/dbraw/zinc/84/76/53/1067847653.db2.gz AMAFKLRITCGGCL-HXUWFJFHSA-N 0 1 450.457 4.721 20 0 JJADMN CC(C)(C)n1cc(CNCc2cnc(N3CCOCC3)c(F)c2)c(-c2ccccc2Cl)n1 ZINC001461427051 1067853506 /nfs/dbraw/zinc/85/35/06/1067853506.db2.gz RHYVWNFQXRGAHW-UHFFFAOYSA-N 0 1 457.981 4.619 20 0 JJADMN COc1cc(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC001461439798 1067856810 /nfs/dbraw/zinc/85/68/10/1067856810.db2.gz GLIIUSVYIAELMU-IBGZPJMESA-N 0 1 457.567 4.674 20 0 JJADMN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461454434 1067860752 /nfs/dbraw/zinc/86/07/52/1067860752.db2.gz FPVWHEFANPCLLE-QFIPXVFZSA-N 0 1 451.014 4.774 20 0 JJADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001461496848 1067876339 /nfs/dbraw/zinc/87/63/39/1067876339.db2.gz VAQRXQUSYWIMFH-MRXNPFEDSA-N 0 1 451.514 4.595 20 0 JJADMN C[C@H](c1ccccc1F)N1CCC[C@H](NCC2=Cc3cc(Br)ccc3OC2)C1=O ZINC001461531677 1067882815 /nfs/dbraw/zinc/88/28/15/1067882815.db2.gz LJAHSSVYVRWXTR-VFNWGFHPSA-N 0 1 459.359 4.706 20 0 JJADMN Cc1cc(Br)cn2c(CN[C@@H](CCO)c3cccc(OC(F)(F)F)c3)cnc12 ZINC001461589661 1067895437 /nfs/dbraw/zinc/89/54/37/1067895437.db2.gz GUGQDTWPWDGALF-KRWDZBQOSA-N 0 1 458.278 4.517 20 0 JJADMN COc1ccc(OC(F)F)c(CNCc2cc(Cl)cc(I)c2)c1 ZINC001461591112 1067896096 /nfs/dbraw/zinc/89/60/96/1067896096.db2.gz HXOTZSDHRGLXJZ-UHFFFAOYSA-N 0 1 453.654 4.844 20 0 JJADMN CC(C)[C@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CCN1Cc1ccccc1 ZINC001461594563 1067896661 /nfs/dbraw/zinc/89/66/61/1067896661.db2.gz DRIJLCKKTIOWFL-JOCHJYFZSA-N 0 1 452.986 4.692 20 0 JJADMN CC(C)[C@H]1CN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC001461598806 1067898544 /nfs/dbraw/zinc/89/85/44/1067898544.db2.gz MODVPMXGZFJPCP-NRUKRLKBSA-N 0 1 453.671 4.611 20 0 JJADMN CS(=O)(=O)CCSc1cc(Br)ccc1CNCc1ccc2occc2c1 ZINC001461622767 1067903717 /nfs/dbraw/zinc/90/37/17/1067903717.db2.gz RLLFHGRYICMFRK-UHFFFAOYSA-N 0 1 454.411 4.622 20 0 JJADMN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2nc3c(s2)CCC3)cc1 ZINC001461629650 1067905662 /nfs/dbraw/zinc/90/56/62/1067905662.db2.gz SXTDEOVZNPJAFC-FPOVZHCZSA-N 0 1 457.640 4.913 20 0 JJADMN CCOc1cc(CNCc2cccnc2N2CCCC2)cc(Br)c1OC(F)F ZINC001461636820 1067906944 /nfs/dbraw/zinc/90/69/44/1067906944.db2.gz WXXPEURQIMASLO-UHFFFAOYSA-N 0 1 456.331 4.734 20 0 JJADMN FC(F)(F)c1ccc(Cn2cc(CNCc3cccc(COC[C@@H]4CCCO4)c3)cn2)cc1 ZINC001461644807 1067908633 /nfs/dbraw/zinc/90/86/33/1067908633.db2.gz FOTBLJWTNQNOND-DEOSSOPVSA-N 0 1 459.512 4.936 20 0 JJADMN Cc1cc(Br)c(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1Br ZINC001461654049 1067910961 /nfs/dbraw/zinc/91/09/61/1067910961.db2.gz DCJMNAWGUWCMMV-GFCCVEGCSA-N 0 1 450.215 4.865 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNCCOCCCNC(=O)OC(C)(C)C ZINC001461683688 1067917782 /nfs/dbraw/zinc/91/77/82/1067917782.db2.gz QCJPIWAOFNYDPE-UHFFFAOYSA-N 0 1 457.402 4.509 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001461693635 1067919697 /nfs/dbraw/zinc/91/96/97/1067919697.db2.gz FPZONOMZMBOQEY-JOCHJYFZSA-N 0 1 459.421 4.787 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC001461693642 1067919715 /nfs/dbraw/zinc/91/97/15/1067919715.db2.gz FPZONOMZMBOQEY-QFIPXVFZSA-N 0 1 459.421 4.787 20 0 JJADMN COc1cc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC001461695627 1067920081 /nfs/dbraw/zinc/92/00/81/1067920081.db2.gz NWUNKNSAODPKPZ-FQEVSTJZSA-N 0 1 450.457 4.721 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC001461716821 1067924151 /nfs/dbraw/zinc/92/41/51/1067924151.db2.gz LZOHYAQTLBRPOM-FQEVSTJZSA-N 0 1 457.405 4.729 20 0 JJADMN CCOc1c(Br)cc(CNCc2cc(Br)cc(OC)c2)cc1OC ZINC001461744774 1067929541 /nfs/dbraw/zinc/92/95/41/1067929541.db2.gz MBIRHGBJOACIDL-UHFFFAOYSA-N 0 1 459.178 4.917 20 0 JJADMN COc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cc(C(F)(F)F)nn2C)cc1 ZINC001461756695 1067931400 /nfs/dbraw/zinc/93/14/00/1067931400.db2.gz PVPHXODOJPKQLC-UHFFFAOYSA-N 0 1 455.484 4.649 20 0 JJADMN COc1ccc(C(=O)Nc2cccc(CNC3CN(c4ccc(C(F)(F)F)cc4)C3)c2)cc1 ZINC001461771272 1067933886 /nfs/dbraw/zinc/93/38/86/1067933886.db2.gz WEHBLFAUUZKCHQ-UHFFFAOYSA-N 0 1 455.480 4.945 20 0 JJADMN CCO/C=C/[C@@](O)(CNCc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC001461779840 1067935637 /nfs/dbraw/zinc/93/56/37/1067935637.db2.gz XGKLITHRLFHOSB-KXPUMZMLSA-N 0 1 451.308 4.506 20 0 JJADMN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(Oc2cccc(Br)c2)cc1 ZINC001461783558 1067936529 /nfs/dbraw/zinc/93/65/29/1067936529.db2.gz VUNUIASYBKCWRZ-NHCUHLMSSA-N 0 1 477.399 4.965 20 0 JJADMN C[C@H](CN(C)Cc1ccc(Br)cc1SCCS(C)(=O)=O)c1ccccc1 ZINC001461912688 1067960098 /nfs/dbraw/zinc/96/00/98/1067960098.db2.gz HCWGOLXYXZDZQJ-MRXNPFEDSA-N 0 1 456.471 4.821 20 0 JJADMN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001461916629 1067960815 /nfs/dbraw/zinc/96/08/15/1067960815.db2.gz HFIRTVHDJNCZNT-VIFPVBQESA-N 0 1 454.111 4.697 20 0 JJADMN CN(Cc1cc(OC(F)F)ccc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC001461917785 1067961064 /nfs/dbraw/zinc/96/10/64/1067961064.db2.gz VSINHAKRHBJCEF-UHFFFAOYSA-N 0 1 453.327 4.787 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC001461947746 1067966808 /nfs/dbraw/zinc/96/68/08/1067966808.db2.gz DUNJYBSWBZFNHC-RUZDIDTESA-N 0 1 456.656 4.575 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CN2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC001461948950 1067967229 /nfs/dbraw/zinc/96/72/29/1067967229.db2.gz JLQLREVTCIDTDY-YADHBBJMSA-N 0 1 457.594 4.586 20 0 JJADMN Cc1ccnc(OC2CCN(Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)CC2)c1 ZINC001461997888 1067977671 /nfs/dbraw/zinc/97/76/71/1067977671.db2.gz NWKBYOCMVFFUCR-UHFFFAOYSA-N 0 1 455.599 4.585 20 0 JJADMN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccn(C(F)F)c1=O ZINC001462038388 1067986584 /nfs/dbraw/zinc/98/65/84/1067986584.db2.gz MQFFAXWAASEEBI-UHFFFAOYSA-N 0 1 451.823 4.765 20 0 JJADMN CN(C)C[C@@H](NC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC001462042106 1067987908 /nfs/dbraw/zinc/98/79/08/1067987908.db2.gz LEVOSUQNQPUWHO-HXUWFJFHSA-N 0 1 451.394 4.910 20 0 JJADMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001462055215 1067992022 /nfs/dbraw/zinc/99/20/22/1067992022.db2.gz QPAWWGVZEJZTIA-GOSISDBHSA-N 0 1 457.562 4.562 20 0 JJADMN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1cc2sc(N3CCCC3)nc2s1 ZINC001462062654 1067994050 /nfs/dbraw/zinc/99/40/50/1067994050.db2.gz GOTQVODLWGNFOC-UHFFFAOYSA-N 0 1 455.459 4.716 20 0 JJADMN Cc1ccccc1C[C@@H](CO)NCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462099021 1068002007 /nfs/dbraw/zinc/00/20/07/1068002007.db2.gz YHRSUWAQZOMPBD-KRWDZBQOSA-N 0 1 453.371 4.719 20 0 JJADMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001462143501 1068014141 /nfs/dbraw/zinc/01/41/41/1068014141.db2.gz BMPYXQRCYACNGJ-HWPZZCPQSA-N 0 1 457.727 4.691 20 0 JJADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001462143508 1068014335 /nfs/dbraw/zinc/01/43/35/1068014335.db2.gz BMPYXQRCYACNGJ-MGPLVRAMSA-N 0 1 457.727 4.691 20 0 JJADMN CCC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CCOC)[C@@H](C)C2)CCC1 ZINC001546129706 1068018338 /nfs/dbraw/zinc/01/83/38/1068018338.db2.gz PQBJYIXXGZMUQZ-KRWDZBQOSA-N 0 1 494.453 4.584 20 0 JJADMN OC[C@@H](Cc1ccc(F)cc1)NCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462173145 1068022081 /nfs/dbraw/zinc/02/20/81/1068022081.db2.gz AHMFHWMESXDKGO-MRXNPFEDSA-N 0 1 457.334 4.550 20 0 JJADMN Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2n[nH]c3cnc(Br)cc32)c1 ZINC001462201689 1068028581 /nfs/dbraw/zinc/02/85/81/1068028581.db2.gz SUBIQRWXESDECT-UHFFFAOYSA-N 0 1 450.296 4.533 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cccc(I)c1)CC2 ZINC001462279909 1068042805 /nfs/dbraw/zinc/04/28/05/1068042805.db2.gz DIFCDTBABPCUKC-UHFFFAOYSA-N 0 1 456.368 4.514 20 0 JJADMN COc1cc(NC(=O)CNCc2ccc(-c3ccccc3Br)cc2)cc(OC)c1 ZINC001462360847 1068059590 /nfs/dbraw/zinc/05/95/90/1068059590.db2.gz JBXGWNCXGVIVKP-UHFFFAOYSA-N 0 1 455.352 4.862 20 0 JJADMN COC(=O)c1ccc(COc2ccc(CN3CCS[C@@H](c4ccccc4)C3)cc2OC)o1 ZINC001462415181 1068070058 /nfs/dbraw/zinc/07/00/58/1068070058.db2.gz OPMXBAXKBSPEDD-XMMPIXPASA-N 0 1 453.560 4.944 20 0 JJADMN C[C@@H](c1ccccc1)[C@@H](O)CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001462460301 1068079275 /nfs/dbraw/zinc/07/92/75/1068079275.db2.gz RUAQGDWXSOCCMP-YWZLYKJASA-N 0 1 453.371 4.972 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CN(C)Cc3c(F)cc(Br)cc3F)cc2)C[C@H](C)O1 ZINC001462528396 1068092337 /nfs/dbraw/zinc/09/23/37/1068092337.db2.gz OEDMFMWEGOFFQZ-IYBDPMFKSA-N 0 1 453.371 4.969 20 0 JJADMN CCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC001462549337 1068096669 /nfs/dbraw/zinc/09/66/69/1068096669.db2.gz ZYCCKMIYIVIQEB-UHFFFAOYSA-N 0 1 455.599 4.939 20 0 JJADMN Cn1ncc(CNC(=O)OC(C)(C)C)c1CNCc1cc(Br)c2ccccc2c1 ZINC001462571932 1068100881 /nfs/dbraw/zinc/10/08/81/1068100881.db2.gz CIDVPRKKBYESCE-UHFFFAOYSA-N 0 1 459.388 4.650 20 0 JJADMN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC001462590384 1068106506 /nfs/dbraw/zinc/10/65/06/1068106506.db2.gz ZCOCLFJAIKYOBS-UHFFFAOYSA-N 0 1 456.027 4.970 20 0 JJADMN COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccnc3c(Br)cccc23)C1 ZINC001462634857 1068119399 /nfs/dbraw/zinc/11/93/99/1068119399.db2.gz TXNAHHRZHWUKIW-QGZVFWFLSA-N 0 1 454.368 4.857 20 0 JJADMN COc1ccc(-c2ccccc2C)cc1CN1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1 ZINC001462671106 1068127941 /nfs/dbraw/zinc/12/79/41/1068127941.db2.gz DUXSNRJYDQDNTN-HSZRJFAPSA-N 0 1 454.611 4.864 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC001462675600 1068128437 /nfs/dbraw/zinc/12/84/37/1068128437.db2.gz KPAQAOVUNISWPN-OAHLLOKOSA-N 0 1 454.402 4.701 20 0 JJADMN Cc1cc(Cl)c(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)c(Br)c1 ZINC001462704794 1068136964 /nfs/dbraw/zinc/13/69/64/1068136964.db2.gz AHVDKLJIQOXFPM-GOSISDBHSA-N 0 1 457.821 4.526 20 0 JJADMN COCc1c(C(=O)Nc2ccc(CN3CCCC3)c(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC001462728769 1068145982 /nfs/dbraw/zinc/14/59/82/1068145982.db2.gz KQDAPNVAIKMBLU-UHFFFAOYSA-N 0 1 458.484 4.886 20 0 JJADMN O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001462734527 1068147687 /nfs/dbraw/zinc/14/76/87/1068147687.db2.gz RKXRTRAALQLONC-OQRWROFFSA-N 0 1 452.907 4.672 20 0 JJADMN Cc1ccc(C2(C(=O)N[C@@H]3CCCN4CCSC[C@H]34)CCCCC2)c(Br)c1 ZINC001462749617 1068154256 /nfs/dbraw/zinc/15/42/56/1068154256.db2.gz QFWDDFFPAKRQJD-WOJBJXKFSA-N 0 1 451.474 4.655 20 0 JJADMN O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)s1 ZINC001462803941 1068171706 /nfs/dbraw/zinc/17/17/06/1068171706.db2.gz GDSIUTBLLYTPLD-RYUDHWBXSA-N 0 1 458.449 4.998 20 0 JJADMN O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1occc1Br ZINC001462897148 1068207614 /nfs/dbraw/zinc/20/76/14/1068207614.db2.gz GOVHOXHYXXJJRR-UHFFFAOYSA-N 0 1 452.292 4.851 20 0 JJADMN CCN(CC)[C@H](CNS(=O)(=O)c1cccc2c1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC001462922772 1068215553 /nfs/dbraw/zinc/21/55/53/1068215553.db2.gz IYLJPMLFGDHNGN-OAQYLSRUSA-N 0 1 454.558 4.946 20 0 JJADMN Cc1ccc([C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)N2CCCC2)cc1 ZINC001462952982 1068227546 /nfs/dbraw/zinc/22/75/46/1068227546.db2.gz HBTMLJCUROAJIF-SFHVURJKSA-N 0 1 457.821 4.526 20 0 JJADMN Cc1csc([C@H](C)NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC001463002505 1068245691 /nfs/dbraw/zinc/24/56/91/1068245691.db2.gz GTTIYPPFTXRLTL-BULFRSBZSA-N 0 1 476.067 4.754 20 0 JJADMN Cc1noc(C)c1[C@@H](C)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463136367 1068299161 /nfs/dbraw/zinc/29/91/61/1068299161.db2.gz PEOUKTVQEDCPKP-MQNAVGNWSA-N 0 1 474.026 4.593 20 0 JJADMN CN1CCC[C@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC001463152155 1068304613 /nfs/dbraw/zinc/30/46/13/1068304613.db2.gz BPFAXPNNIZHSIA-PXAZEXFGSA-N 0 1 452.951 4.782 20 0 JJADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCN1Cc1ccccc1 ZINC001463231548 1068328957 /nfs/dbraw/zinc/32/89/57/1068328957.db2.gz OFNMIXSYIZJZHT-HKUYNNGSSA-N 0 1 457.665 4.925 20 0 JJADMN COC(=O)c1cc2[nH]c(NC(=O)CCc3ccc(C(C)(C)C)cc3)nc2c(Br)c1 ZINC001463326262 1068357571 /nfs/dbraw/zinc/35/75/71/1068357571.db2.gz JKTDLCMRUYWMCD-UHFFFAOYSA-N 0 1 458.356 4.981 20 0 JJADMN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC001463337843 1068361340 /nfs/dbraw/zinc/36/13/40/1068361340.db2.gz QQSMTLVGTPJOOF-SECBINFHSA-N 0 1 451.321 4.542 20 0 JJADMN COc1cc(Br)cc2sc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)nc21 ZINC001463346628 1068366220 /nfs/dbraw/zinc/36/62/20/1068366220.db2.gz JZTTVMNUSUUBNI-VHSXEESVSA-N 0 1 453.280 4.754 20 0 JJADMN CN1CCN(c2ccc(NC(=O)c3ccc(Br)c(Cl)c3)c3cnccc32)CC1 ZINC001463430601 1068394820 /nfs/dbraw/zinc/39/48/20/1068394820.db2.gz JTLUVGNXKPKDPZ-UHFFFAOYSA-N 0 1 459.775 4.655 20 0 JJADMN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001463430552 1068395023 /nfs/dbraw/zinc/39/50/23/1068395023.db2.gz JGNKGYMWNTUKIW-DEOSSOPVSA-N 0 1 452.986 4.682 20 0 JJADMN CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C(C)(C)O1 ZINC001463440229 1068398264 /nfs/dbraw/zinc/39/82/64/1068398264.db2.gz RWWRZSXUWLUSFV-IBGZPJMESA-N 0 1 457.514 4.948 20 0 JJADMN CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C(C)(C)O1 ZINC001463440233 1068398419 /nfs/dbraw/zinc/39/84/19/1068398419.db2.gz RWWRZSXUWLUSFV-LJQANCHMSA-N 0 1 457.514 4.948 20 0 JJADMN O=C(Nc1ccc(N2CCCCC2)nc1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001463531051 1068429325 /nfs/dbraw/zinc/42/93/25/1068429325.db2.gz YSKHNGVNFMJDAV-UHFFFAOYSA-N 0 1 456.955 4.997 20 0 JJADMN COc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)N2CCCC2)cc1 ZINC001463570148 1068450495 /nfs/dbraw/zinc/45/04/95/1068450495.db2.gz ZAEVQGAMZSHGEX-NRFANRHFSA-N 0 1 450.476 4.838 20 0 JJADMN C/C=C(\CC)C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001463590214 1068458988 /nfs/dbraw/zinc/45/89/88/1068458988.db2.gz NFFTUZGQDJKBFX-YIXHJXPBSA-N 0 1 453.358 4.553 20 0 JJADMN CNc1cc(Cl)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001463606749 1068464151 /nfs/dbraw/zinc/46/41/51/1068464151.db2.gz ZWTAVUDJXIEOKB-UHFFFAOYSA-N 0 1 459.955 4.752 20 0 JJADMN COCCC[C@@H](Cc1ccccc1)NS(=O)(=O)c1oc2ccccc2c1Br ZINC001463650769 1068480842 /nfs/dbraw/zinc/48/08/42/1068480842.db2.gz OPKHTYNQAHUJJS-INIZCTEOSA-N 0 1 452.370 4.512 20 0 JJADMN COc1ccc([C@@H](CNC(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 ZINC001463663090 1068487240 /nfs/dbraw/zinc/48/72/40/1068487240.db2.gz XRFLJCUWLDEFOA-DHIUTWEWSA-N 0 1 459.631 4.518 20 0 JJADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)C1 ZINC001463773258 1068520520 /nfs/dbraw/zinc/52/05/20/1068520520.db2.gz BGVIAZAESCSQQY-IBGZPJMESA-N 0 1 451.394 4.659 20 0 JJADMN Cc1cc([C@@H](C)NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)ccc1F ZINC001463789344 1068524722 /nfs/dbraw/zinc/52/47/22/1068524722.db2.gz CELLPCJMGHJUFE-YZXAJQSBSA-N 0 1 470.585 4.922 20 0 JJADMN CC(C)(C)n1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c(-c2ccc(F)cc2F)n1 ZINC001463829070 1068540009 /nfs/dbraw/zinc/54/00/09/1068540009.db2.gz VBNQHXKQWYXZMC-UHFFFAOYSA-N 0 1 452.549 4.931 20 0 JJADMN CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)n2)cc1 ZINC001463834696 1068541210 /nfs/dbraw/zinc/54/12/10/1068541210.db2.gz DLVIHIXXTDRDNY-QFIPXVFZSA-N 0 1 452.986 4.922 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1(C)C ZINC001463838715 1068542889 /nfs/dbraw/zinc/54/28/89/1068542889.db2.gz RNSZEKHLFJYINS-YZGWKJHDSA-N 0 1 450.023 4.533 20 0 JJADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001463839131 1068543747 /nfs/dbraw/zinc/54/37/47/1068543747.db2.gz MIAZISIJQBVYGF-AJSBUHFISA-N 0 1 451.577 4.940 20 0 JJADMN O=C(CC[C@@H]1CCc2ccccc21)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001463841841 1068544801 /nfs/dbraw/zinc/54/48/01/1068544801.db2.gz VVHFNRNDGTXKPM-NRFANRHFSA-N 0 1 459.556 4.844 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1 ZINC001463885528 1068555524 /nfs/dbraw/zinc/55/55/24/1068555524.db2.gz JDWUMUZLSBMCLQ-XMMPIXPASA-N 0 1 450.560 4.686 20 0 JJADMN Cc1ccc(CN2CCCN(C(=O)CC3(CNC(=O)OC(C)(C)C)CCCCC3)CC2)cc1 ZINC001463909783 1068562285 /nfs/dbraw/zinc/56/22/85/1068562285.db2.gz XXTOIGFDOKXCMC-UHFFFAOYSA-N 0 1 457.659 4.895 20 0 JJADMN CCN(CC)[C@@H](CNC(=O)[C@@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912139 1068562854 /nfs/dbraw/zinc/56/28/54/1068562854.db2.gz HETXAAKSIPTLCI-PMACEKPBSA-N 0 1 453.808 4.989 20 0 JJADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1 ZINC001463953957 1068574393 /nfs/dbraw/zinc/57/43/93/1068574393.db2.gz XYARAQROIZSCPP-UHFFFAOYSA-N 0 1 455.440 4.678 20 0 JJADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)C[C@H](C)O1 ZINC001464120991 1068621788 /nfs/dbraw/zinc/62/17/88/1068621788.db2.gz MAIWLCBARXJRFS-GOTSBHOMSA-N 0 1 458.602 4.734 20 0 JJADMN Cc1ccc(CCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(Br)c1 ZINC001464121668 1068622423 /nfs/dbraw/zinc/62/24/23/1068622423.db2.gz MVUSWLOBCBEGQO-RTBURBONSA-N 0 1 459.428 4.616 20 0 JJADMN CC(C)COc1ccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 ZINC001464124299 1068623644 /nfs/dbraw/zinc/62/36/44/1068623644.db2.gz IBEGJOMXOBCVHQ-UHFFFAOYSA-N 0 1 457.618 4.974 20 0 JJADMN O=C(NCC1(N2CCSCC2)CCCC1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001464132509 1068628437 /nfs/dbraw/zinc/62/84/37/1068628437.db2.gz KBZDRULUJVSYLA-UHFFFAOYSA-N 0 1 455.571 4.920 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC001464235716 1068668399 /nfs/dbraw/zinc/66/83/99/1068668399.db2.gz SBSBDEMPMFLFTQ-WUFINQPMSA-N 0 1 478.658 4.840 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)n[nH]2)c1C ZINC001464265530 1068681308 /nfs/dbraw/zinc/68/13/08/1068681308.db2.gz CZUXDQHQNZMLDA-UHFFFAOYSA-N 0 1 459.598 4.785 20 0 JJADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001464293001 1068694930 /nfs/dbraw/zinc/69/49/30/1068694930.db2.gz LTSWICWVFZQWNA-UHFFFAOYSA-N 0 1 452.285 4.850 20 0 JJADMN O=S(=O)(CCCc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001464298009 1068696347 /nfs/dbraw/zinc/69/63/47/1068696347.db2.gz SRXWIQPMBGKQGF-QFIPXVFZSA-N 0 1 454.558 4.612 20 0 JJADMN CC(C)COc1cccc(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1 ZINC001464300915 1068697699 /nfs/dbraw/zinc/69/76/99/1068697699.db2.gz QORPQRIIEKCLFL-HSZRJFAPSA-N 0 1 455.599 4.685 20 0 JJADMN CCC(CC)C(=O)N1CCC(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 ZINC001464322887 1068705828 /nfs/dbraw/zinc/70/58/28/1068705828.db2.gz WDNIKZJKCLUCOB-OAQYLSRUSA-N 0 1 455.565 4.632 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)N1CCCCC1 ZINC001464326861 1068707462 /nfs/dbraw/zinc/70/74/62/1068707462.db2.gz AZJALZIUSMRFNK-SFHVURJKSA-N 0 1 455.546 4.533 20 0 JJADMN O=S(=O)(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c(Br)cc(F)cc1Br ZINC001464331537 1068709111 /nfs/dbraw/zinc/70/91/11/1068709111.db2.gz BWKNLMZIFWUAJE-LDYMZIIASA-N 0 1 481.103 4.526 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)[C@H](OC)c1ccccc1C(F)(F)F)N1CCCCC1 ZINC001464334850 1068710066 /nfs/dbraw/zinc/71/00/66/1068710066.db2.gz OSIQMCCDVPKTPH-IFMALSPDSA-N 0 1 450.501 4.745 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)N1CCCCC1 ZINC001464337783 1068711305 /nfs/dbraw/zinc/71/13/05/1068711305.db2.gz SDYAYCRGMHCLGO-LJQANCHMSA-N 0 1 453.564 4.559 20 0 JJADMN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1c([O-])cnc2c(Br)cccc21 ZINC001464362406 1068719553 /nfs/dbraw/zinc/71/95/53/1068719553.db2.gz TZZSRRHCUWYWJI-UHFFFAOYSA-N 0 1 454.368 4.984 20 0 JJADMN CC(C)OCc1ccc(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC001464422891 1068740449 /nfs/dbraw/zinc/74/04/49/1068740449.db2.gz YCWAWFWLDQOXJZ-QHCPKHFHSA-N 0 1 455.599 4.575 20 0 JJADMN CN(C)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)cc1Cl ZINC001464445139 1068748319 /nfs/dbraw/zinc/74/83/19/1068748319.db2.gz YPZIFKINRCJATB-UHFFFAOYSA-N 0 1 452.820 4.583 20 0 JJADMN CCCC1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CC1 ZINC001464462591 1068755392 /nfs/dbraw/zinc/75/53/92/1068755392.db2.gz MWVVMFDLVMHVPX-UHFFFAOYSA-N 0 1 450.988 4.935 20 0 JJADMN O=C(CNC(=O)Nc1cccc(Cl)c1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC001464490436 1068764683 /nfs/dbraw/zinc/76/46/83/1068764683.db2.gz CGESPNUTDKTSBJ-UHFFFAOYSA-N 0 1 451.889 4.706 20 0 JJADMN O=C(Nc1ccccc1CN1CCSCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001464561283 1068782540 /nfs/dbraw/zinc/78/25/40/1068782540.db2.gz RWQJMUZZYIAIEI-UHFFFAOYSA-N 0 1 458.381 4.504 20 0 JJADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccoc1COc1ccc(C=O)cc1 ZINC001464571598 1068786146 /nfs/dbraw/zinc/78/61/46/1068786146.db2.gz UWUQGBSNYNFIEQ-UHFFFAOYSA-N 0 1 450.560 4.781 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NC(C)(C)c3ccc(Cl)c(Cl)c3)c2C1 ZINC001464619482 1068801347 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/nfs/dbraw/zinc/10/13/39/721101339.db2.gz GMPIXMRIOLKMNO-DQEYMECFSA-N 0 1 450.590 4.502 20 0 JJADMN Fc1cccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164879919 721169022 /nfs/dbraw/zinc/16/90/22/721169022.db2.gz VJWBITNNGUARRD-VXKWHMMOSA-N 0 1 488.941 4.961 20 0 JJADMN Fc1ccccc1-c1cc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164881006 721169320 /nfs/dbraw/zinc/16/93/20/721169320.db2.gz YTTRMDRGJSPZHU-WOJBJXKFSA-N 0 1 488.941 4.961 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164764985 721195870 /nfs/dbraw/zinc/19/58/70/721195870.db2.gz HJYXHVHCABCTJV-NHCUHLMSSA-N 0 1 458.997 4.642 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3C2)cn1 ZINC001164770797 721224386 /nfs/dbraw/zinc/22/43/86/721224386.db2.gz OMBPSBFESVQETO-MOPGFXCFSA-N 0 1 475.946 4.778 20 0 JJADMN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)cnc2Cl)c1 ZINC001164762491 721246914 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GLIBMTAGNLRPDY-VWLOTQADSA-N 0 1 468.001 4.521 20 0 JJADMN COc1cnc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c2cc(Cl)ccc12 ZINC001164777724 721350242 /nfs/dbraw/zinc/35/02/42/721350242.db2.gz HPMYQZREAMYQTQ-VWLOTQADSA-N 0 1 471.001 4.621 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)ncc3-c3ccccc3)C2)C1 ZINC001164779763 721351267 /nfs/dbraw/zinc/35/12/67/721351267.db2.gz VXOAPIWJOCVWIH-RUZDIDTESA-N 0 1 468.001 4.521 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164786189 721370131 /nfs/dbraw/zinc/37/01/31/721370131.db2.gz WSKDNAWKPDCMHA-SANMLTNESA-N 0 1 455.647 4.621 20 0 JJADMN COc1cc2cnc(Cl)cc2cc1N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164786178 721376931 /nfs/dbraw/zinc/37/69/31/721376931.db2.gz UFIJEKJPCAANQM-RUZDIDTESA-N 0 1 471.001 4.621 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890499 721396187 /nfs/dbraw/zinc/39/61/87/721396187.db2.gz NQTPZXGHEBGFCX-UKILVPOCSA-N 0 1 491.026 4.712 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886791 721398547 /nfs/dbraw/zinc/39/85/47/721398547.db2.gz GIBPXZDIGQBJBJ-PDDLMNHVSA-N 0 1 483.660 4.576 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164892472 721409374 /nfs/dbraw/zinc/40/93/74/721409374.db2.gz YJBMYLCWTJJNJK-QDPGVEIFSA-N 0 1 492.067 4.716 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164893734 721425552 /nfs/dbraw/zinc/42/55/52/721425552.db2.gz KDWFFYNPHVSOCJ-FQRUVTKNSA-N 0 1 498.096 4.777 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)C3)O2)CC1 ZINC001164899169 721432325 /nfs/dbraw/zinc/43/23/25/721432325.db2.gz YAAZWXULUYYXPW-PWUYWRBVSA-N 0 1 456.634 4.667 20 0 JJADMN Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c3ccccc32)cc1C ZINC001164890249 721434286 /nfs/dbraw/zinc/43/42/86/721434286.db2.gz CSMJMXNTEQUHPQ-QCDSWUKFSA-N 0 1 485.676 4.679 20 0 JJADMN Cc1sc2nc(-c3cccs3)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164898658 721434887 /nfs/dbraw/zinc/43/48/87/721434887.db2.gz WINMSNYVUOKIIF-FNZWTVRRSA-N 0 1 497.734 4.802 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897370 721440871 /nfs/dbraw/zinc/44/08/71/721440871.db2.gz TWSBSZJGEXAZEA-LXFBAYGMSA-N 0 1 489.689 4.638 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164890729 721441566 /nfs/dbraw/zinc/44/15/66/721441566.db2.gz DPYQSYAUDKNMDC-FIBWVYCGSA-N 0 1 483.660 4.576 20 0 JJADMN CNC(=O)N[C@@H]1CC2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900390 721492230 /nfs/dbraw/zinc/49/22/30/721492230.db2.gz OVDPGPPLLREMCM-MUUNZHRXSA-N 0 1 495.671 4.860 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164799362 721579933 /nfs/dbraw/zinc/57/99/33/721579933.db2.gz AZDFUEPYWXJBGJ-VXNXHJTFSA-N 0 1 457.603 4.622 20 0 JJADMN Cc1nc(-c2ccccc2Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164811498 721585393 /nfs/dbraw/zinc/58/53/93/721585393.db2.gz XUBIPKIWRIHLOX-SGNDLWITSA-N 0 1 464.013 4.677 20 0 JJADMN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908491 721692785 /nfs/dbraw/zinc/69/27/85/721692785.db2.gz ZLQQFYBICZJDCY-NRFANRHFSA-N 0 1 479.909 4.961 20 0 JJADMN FC1(F)CCN(c2cc(Cl)nc(Cc3ccccc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906650 721698789 /nfs/dbraw/zinc/69/87/89/721698789.db2.gz NZFJKTKIPWRDSM-DEOSSOPVSA-N 0 1 469.967 4.854 20 0 JJADMN FC1(F)CCN(c2nccc(-c3c[nH]c4ccccc34)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906660 721702855 /nfs/dbraw/zinc/70/28/55/721702855.db2.gz OEHCOQOPSYPMCR-RUZDIDTESA-N 0 1 460.532 4.758 20 0 JJADMN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908598 721712428 /nfs/dbraw/zinc/71/24/28/721712428.db2.gz YGVSTFSDSAIGHY-QHCPKHFHSA-N 0 1 478.971 4.823 20 0 JJADMN FC1(F)CCN(c2ccc(-c3ccccc3Cl)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904368 721713662 /nfs/dbraw/zinc/71/36/62/721713662.db2.gz CKHYXSVJGOPIAY-HSZRJFAPSA-N 0 1 455.940 4.930 20 0 JJADMN Fc1cccc(Oc2cncc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)c1 ZINC001164904908 721715608 /nfs/dbraw/zinc/71/56/08/721715608.db2.gz FLDJYOSHOGOLKX-HSZRJFAPSA-N 0 1 455.484 4.541 20 0 JJADMN CC(C)(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2)n1 ZINC001164908904 721720234 /nfs/dbraw/zinc/72/02/34/721720234.db2.gz ZKJUQBWKLIPYOI-DEOSSOPVSA-N 0 1 468.552 4.562 20 0 JJADMN Fc1ccc(Oc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164910554 721728854 /nfs/dbraw/zinc/72/88/54/721728854.db2.gz FXNUVAIPKQCIEB-QHCPKHFHSA-N 0 1 455.484 4.541 20 0 JJADMN Fc1cccc(F)c1-c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164913732 721730122 /nfs/dbraw/zinc/73/01/22/721730122.db2.gz XDDRNBMSTBVWPG-HSZRJFAPSA-N 0 1 457.475 4.555 20 0 JJADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)CC1 ZINC001165010175 721734173 /nfs/dbraw/zinc/73/41/73/721734173.db2.gz DUAAPWVXARYEGO-UHFFFAOYSA-N 0 1 482.003 4.612 20 0 JJADMN CC(C)(C)OC(=O)c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164913067 721734947 /nfs/dbraw/zinc/73/49/47/721734947.db2.gz RWHKDKJLZABWSD-QHCPKHFHSA-N 0 1 478.971 4.823 20 0 JJADMN FC1(F)CCN(c2c(Cl)nc(Cl)nc2C2CC2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164909101 721737021 /nfs/dbraw/zinc/73/70/21/721737021.db2.gz BGLTYIJWVQBECV-HXUWFJFHSA-N 0 1 454.352 4.794 20 0 JJADMN FC1(F)CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912919 721739184 /nfs/dbraw/zinc/73/91/84/721739184.db2.gz RFDJPBCEWOWDFV-JOCHJYFZSA-N 0 1 497.421 4.906 20 0 JJADMN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165013956 721767168 /nfs/dbraw/zinc/76/71/68/721767168.db2.gz BUEBQURJHGLBOY-UHFFFAOYSA-N 0 1 452.852 4.735 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001165021228 721841691 /nfs/dbraw/zinc/84/16/91/721841691.db2.gz IQFUZKWSYCOMRI-UHFFFAOYSA-N 0 1 489.595 4.737 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc(Oc3ccc(F)cc3)n2)CC1 ZINC001165022704 721842049 /nfs/dbraw/zinc/84/20/49/721842049.db2.gz SJBBPZQGDYNBGN-UHFFFAOYSA-N 0 1 487.963 4.574 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nccnc4C4SCCCS4)CC3)C2)cc1 ZINC001164938936 721924230 /nfs/dbraw/zinc/92/42/30/721924230.db2.gz CINMCRNNHQWDER-UHFFFAOYSA-N 0 1 456.681 4.525 20 0 JJADMN CCOc1ccc(-c2ccc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nn2)cc1 ZINC001164939666 721932012 /nfs/dbraw/zinc/93/20/12/721932012.db2.gz NUAFVMKFJUONPQ-UHFFFAOYSA-N 0 1 458.606 4.722 20 0 JJADMN C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961745 722059973 /nfs/dbraw/zinc/05/99/73/722059973.db2.gz OSEJWYIYPNYJFI-QHCPKHFHSA-N 0 1 486.664 4.523 20 0 JJADMN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995962 722204822 /nfs/dbraw/zinc/20/48/22/722204822.db2.gz QMRCDGSOKQAWGU-MHZLTWQESA-N 0 1 484.616 4.742 20 0 JJADMN COc1ccc(Cn2cc3[nH]c(N4CCC[C@@]5(CCN5Cc5cccc(F)c5)C4)ccc-3c2=O)cc1 ZINC001164997297 722207303 /nfs/dbraw/zinc/20/73/03/722207303.db2.gz YVFILQFHLJILLQ-GDLZYMKVSA-N 0 1 486.591 4.630 20 0 JJADMN CC(C)c1nnc(N2CCN(CCc3cccs3)CC2)n1CCSCc1ccccc1 ZINC001359720056 1064267451 /nfs/dbraw/zinc/26/74/51/1064267451.db2.gz GQKNXCCKOQQERY-UHFFFAOYSA-N 0 1 455.697 4.761 20 0 JJADMN CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1C[C@H](c1ccco1)N(C)C ZINC001359723218 1064270223 /nfs/dbraw/zinc/27/02/23/1064270223.db2.gz MQFCWRPZFAWWJL-CTNGQTDRSA-N 0 1 461.969 4.668 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)C)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001545862701 1064270851 /nfs/dbraw/zinc/27/08/51/1064270851.db2.gz QEUMGRROFHSNFJ-TZIWHRDSSA-N 0 1 472.703 4.577 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(CC)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001545865409 1064272875 /nfs/dbraw/zinc/27/28/75/1064272875.db2.gz AKQJEYSWOBMCOV-YWEHKCAJSA-N 0 1 480.701 4.660 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001545866079 1064275729 /nfs/dbraw/zinc/27/57/29/1064275729.db2.gz UQYADDRZYXTWTJ-DEOSSOPVSA-N 0 1 480.701 4.660 20 0 JJADMN CC(C)[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001359744218 1064315772 /nfs/dbraw/zinc/31/57/72/1064315772.db2.gz BTCDWGYGOXTICC-OFNKIYASSA-N 0 1 453.656 4.746 20 0 JJADMN CC(C)[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001359744219 1064315833 /nfs/dbraw/zinc/31/58/33/1064315833.db2.gz BTCDWGYGOXTICC-REWPJTCUSA-N 0 1 453.656 4.746 20 0 JJADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CC(C)(C)NC(=O)OCc1ccccc1 ZINC001434921023 1064349095 /nfs/dbraw/zinc/34/90/95/1064349095.db2.gz VRXKXUNPNYUJPH-UHFFFAOYSA-N 0 1 455.624 4.577 20 0 JJADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001434922996 1064351433 /nfs/dbraw/zinc/35/14/33/1064351433.db2.gz WEWRCFBLERJBKS-UHFFFAOYSA-N 0 1 459.615 4.829 20 0 JJADMN O=C(Nc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1)OCC(F)(F)F ZINC001434923565 1064352124 /nfs/dbraw/zinc/35/21/24/1064352124.db2.gz ZOJIMTUPARMWNY-UHFFFAOYSA-N 0 1 453.486 4.599 20 0 JJADMN CC(C)CC(=O)Nc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(C)C)CC2)c1 ZINC001359764786 1064385431 /nfs/dbraw/zinc/38/54/31/1064385431.db2.gz JKMGESMJGYOBLI-UHFFFAOYSA-N 0 1 466.674 4.574 20 0 JJADMN CC[C@H](C)c1nc(C)c(CC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c(C)n1 ZINC001434980608 1064397283 /nfs/dbraw/zinc/39/72/83/1064397283.db2.gz BWSVTORETCFLHO-SFHVURJKSA-N 0 1 451.615 4.603 20 0 JJADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(SC(F)(F)F)nc2)c1 ZINC001434980943 1064398005 /nfs/dbraw/zinc/39/80/05/1064398005.db2.gz KFZOLKBDGUEUSG-UHFFFAOYSA-N 0 1 452.502 4.760 20 0 JJADMN CC(C)Cc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001359780203 1064428660 /nfs/dbraw/zinc/42/86/60/1064428660.db2.gz NLGYBRJQEGSHSH-QZTJIDSGSA-N 0 1 485.570 4.770 20 0 JJADMN CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001359792751 1064450018 /nfs/dbraw/zinc/45/00/18/1064450018.db2.gz PBRFBVFCAHUICZ-PIATZUFCSA-N 0 1 453.675 4.747 20 0 JJADMN CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CCN1CCc2sccc2C1 ZINC001359805698 1064475274 /nfs/dbraw/zinc/47/52/74/1064475274.db2.gz QCFPMHOXEFCPMQ-UHFFFAOYSA-N 0 1 455.594 4.765 20 0 JJADMN CC(C)Cc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccsc1)N(C)C ZINC001359808571 1064480901 /nfs/dbraw/zinc/48/09/01/1064480901.db2.gz PNYGRIGPKKMNGS-FPOVZHCZSA-N 0 1 490.718 4.534 20 0 JJADMN COc1ccc(CN(C(=O)c2cncc(Br)c2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001435070951 1064493083 /nfs/dbraw/zinc/49/30/83/1064493083.db2.gz CYFZWPXJXLTYJW-UHFFFAOYSA-N 0 1 451.324 4.884 20 0 JJADMN CC(C)Cc1nnc(N2CCC(OCc3ccccc3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001359817830 1064500513 /nfs/dbraw/zinc/50/05/13/1064500513.db2.gz LTHNGANOQYCXED-QHCPKHFHSA-N 0 1 451.615 4.558 20 0 JJADMN CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@H](c1ccsc1)N(C)C ZINC001359852889 1064540603 /nfs/dbraw/zinc/54/06/03/1064540603.db2.gz YUNJAGCNJGHEEM-WMZHIEFXSA-N 0 1 470.662 4.695 20 0 JJADMN CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@H](c1ccsc1)N(C)C ZINC001359852887 1064540668 /nfs/dbraw/zinc/54/06/68/1064540668.db2.gz YUNJAGCNJGHEEM-AUSIDOKSSA-N 0 1 470.662 4.695 20 0 JJADMN CC(C)Cc1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359861311 1064551029 /nfs/dbraw/zinc/55/10/29/1064551029.db2.gz QYFFJEMZEOMVBW-JTHBVZDNSA-N 0 1 475.628 4.548 20 0 JJADMN C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001435162746 1064558973 /nfs/dbraw/zinc/55/89/73/1064558973.db2.gz HIPZEBCEPXHWJB-NHCUHLMSSA-N 0 1 451.611 4.789 20 0 JJADMN CC1CCC(N2CCN(C(=O)c3cc(COc4c(Cl)cccc4Cl)on3)CC2)CC1 ZINC001435170927 1064565777 /nfs/dbraw/zinc/56/57/77/1064565777.db2.gz UIYGJRWDOOSFCS-UHFFFAOYSA-N 0 1 452.382 4.897 20 0 JJADMN CCN(CC)[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435196276 1064584598 /nfs/dbraw/zinc/58/45/98/1064584598.db2.gz RCUHJJMIBNDTQQ-RBUKOAKNSA-N 0 1 457.537 4.604 20 0 JJADMN CCN(CC)[C@H](C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001435196275 1064584746 /nfs/dbraw/zinc/58/47/46/1064584746.db2.gz RCUHJJMIBNDTQQ-OALUTQOASA-N 0 1 457.537 4.604 20 0 JJADMN CC(C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001359901775 1064611337 /nfs/dbraw/zinc/61/13/37/1064611337.db2.gz CSSNJQGFERTMMO-DEOSSOPVSA-N 0 1 453.675 4.980 20 0 JJADMN CC(C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001359901776 1064611354 /nfs/dbraw/zinc/61/13/54/1064611354.db2.gz CSSNJQGFERTMMO-XMMPIXPASA-N 0 1 453.675 4.980 20 0 JJADMN CC(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001359907613 1064623978 /nfs/dbraw/zinc/62/39/78/1064623978.db2.gz IYNMDCGPDHSDJZ-JOCHJYFZSA-N 0 1 474.694 4.503 20 0 JJADMN CCOC(=O)N1[C@H](C(=O)N2CCN([C@H](CC)c3ccccc3)CC2)CC[C@H]1c1ccc(C)o1 ZINC001435308993 1064683425 /nfs/dbraw/zinc/68/34/25/1064683425.db2.gz FXWCLLLLGJTZTR-VJBWXMMDSA-N 0 1 453.583 4.546 20 0 JJADMN 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CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2O)CC1 ZINC001444062018 1066398489 /nfs/dbraw/zinc/39/84/89/1066398489.db2.gz GPMDINIXUBKKFO-JOCHJYFZSA-N 0 1 454.473 4.652 20 0 JJADMN O=C(Cc1cc(Br)ccc1F)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC001444134380 1066411726 /nfs/dbraw/zinc/41/17/26/1066411726.db2.gz LKMQWYIDIAYVBN-QGZVFWFLSA-N 0 1 459.281 4.540 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)[C@H]4CCOC(C)(C)C4)cc3[nH]2)CC1 ZINC001455629109 1066417400 /nfs/dbraw/zinc/41/74/00/1066417400.db2.gz VAMJXAQTLZOUNQ-KRWDZBQOSA-N 0 1 456.587 4.821 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001444176303 1066426318 /nfs/dbraw/zinc/42/63/18/1066426318.db2.gz PLLZWQSJOUMNQR-SFHVURJKSA-N 0 1 456.011 4.915 20 0 JJADMN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001455752942 1066428143 /nfs/dbraw/zinc/42/81/43/1066428143.db2.gz BAAIOCHBCOZYFT-DLBZAZTESA-N 0 1 454.562 4.642 20 0 JJADMN COc1ccc(C(=O)C(=O)Nc2ccc(CN(C)CCOc3ccccc3)cc2)cc1Cl 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JJADMN COc1ccc(CN(C(=O)CCOCC(F)(F)C(F)F)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001456113669 1066512006 /nfs/dbraw/zinc/51/20/06/1066512006.db2.gz VATNDKQKQCSARY-UHFFFAOYSA-N 0 1 453.436 4.720 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854527 1066513756 /nfs/dbraw/zinc/51/37/56/1066513756.db2.gz ZZKMFDKHCAXSMS-RPWUZVMVSA-N 0 1 451.611 4.856 20 0 JJADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001444896480 1066517030 /nfs/dbraw/zinc/51/70/30/1066517030.db2.gz KFYNATIRSYFZHG-UHFFFAOYSA-N 0 1 452.081 4.961 20 0 JJADMN O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ncc(Br)cc1O ZINC001444895329 1066517048 /nfs/dbraw/zinc/51/70/48/1066517048.db2.gz USDDERCSXJBZOA-UHFFFAOYSA-N 0 1 458.259 4.622 20 0 JJADMN Cc1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1NC(=O)c1ccncc1 ZINC001444906756 1066517464 /nfs/dbraw/zinc/51/74/64/1066517464.db2.gz TZXYPKMMQCHHNT-UHFFFAOYSA-N 0 1 450.296 4.533 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CCN2CCSCC2)cc1Br ZINC001361200085 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JJADMN COc1cc(C(=O)Nc2ccc3cncn3c2)ccc1OCc1ccc(Br)s1 ZINC001456447512 1066588992 /nfs/dbraw/zinc/58/89/92/1066588992.db2.gz NVOKKZXEQQBTSG-UHFFFAOYSA-N 0 1 458.337 4.998 20 0 JJADMN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCC1 ZINC001456468098 1066593242 /nfs/dbraw/zinc/59/32/42/1066593242.db2.gz WWVXNIDKBJRNDM-NRFANRHFSA-N 0 1 456.562 4.906 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2c(C)cccc2C)c1 ZINC001456474934 1066593660 /nfs/dbraw/zinc/59/36/60/1066593660.db2.gz ILLCXCALAGDNMO-UHFFFAOYSA-N 0 1 452.576 4.693 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC001456512566 1066607608 /nfs/dbraw/zinc/60/76/08/1066607608.db2.gz XOQKWAQVDQHRTF-NFBKMPQASA-N 0 1 456.428 4.507 20 0 JJADMN Cc1nc2ccc(NC(=O)c3ccccc3N(C)C(=O)c3ccc(Br)o3)cc2[nH]1 ZINC001445733923 1066612929 /nfs/dbraw/zinc/61/29/29/1066612929.db2.gz ASLVQTKUNHBUCO-UHFFFAOYSA-N 0 1 453.296 4.756 20 0 JJADMN Cc1nc2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(Cl)c4)c3)cc2[nH]1 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/nfs/dbraw/zinc/67/33/91/1066673391.db2.gz IUXMFSNIOPPFHT-FIXSFTCYSA-N 0 1 453.558 4.569 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2C[C@H]2CN(CC(C)C)CCO2)c1 ZINC001492613550 1066676238 /nfs/dbraw/zinc/67/62/38/1066676238.db2.gz YVCIRZVBTAGXGU-XMMPIXPASA-N 0 1 481.685 4.802 20 0 JJADMN O=C(N[C@@H]1CO[C@H]1c1ccccc1)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001456790795 1066690949 /nfs/dbraw/zinc/69/09/49/1066690949.db2.gz NAZRJTGVQWJNGJ-HIFRSBDPSA-N 0 1 466.200 4.696 20 0 JJADMN CCC[C@H]1CN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CCN1CCOC ZINC001446349533 1066695003 /nfs/dbraw/zinc/69/50/03/1066695003.db2.gz MXLRZFBQVSMPQP-QFIPXVFZSA-N 0 1 451.586 4.866 20 0 JJADMN CC(C)(CNC(=O)c1n[nH]c2ccc(Br)cc21)c1ccccc1Br ZINC001446398819 1066702035 /nfs/dbraw/zinc/70/20/35/1066702035.db2.gz UCWUTFXLFYKZHD-UHFFFAOYSA-N 0 1 451.162 4.796 20 0 JJADMN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001456909304 1066718448 /nfs/dbraw/zinc/71/84/48/1066718448.db2.gz ZRBQRYOBWTWVOB-CJNGLKHVSA-N 0 1 464.971 4.600 20 0 JJADMN CN1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)C2(CCCCC2)C1 ZINC001456911147 1066719442 /nfs/dbraw/zinc/71/94/42/1066719442.db2.gz JXAPYLCDCYVZFQ-UHFFFAOYSA-N 0 1 454.459 4.654 20 0 JJADMN CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C)c1ccc(F)cc1 ZINC001446651545 1066729410 /nfs/dbraw/zinc/72/94/10/1066729410.db2.gz FYEXHQUKUNXARJ-NRFANRHFSA-N 0 1 456.539 4.825 20 0 JJADMN O=C(c1cc2sc(Br)cc2s1)N1CCC(CCCN2CCOCC2)CC1 ZINC001446713438 1066733654 /nfs/dbraw/zinc/73/36/54/1066733654.db2.gz MIGJHUIJRKXDAC-UHFFFAOYSA-N 0 1 457.459 4.690 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC001446716853 1066734141 /nfs/dbraw/zinc/73/41/41/1066734141.db2.gz WAIVZTDEGDGJFO-HUUCEWRRSA-N 0 1 472.485 4.509 20 0 JJADMN Cc1csc([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)N3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC001492641604 1066734864 /nfs/dbraw/zinc/73/48/64/1066734864.db2.gz HOGVRQFIJKDWMR-PCCBWWKXSA-N 0 1 488.746 4.903 20 0 JJADMN 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ZINC001545991592 1066764439 /nfs/dbraw/zinc/76/44/39/1066764439.db2.gz UKXQUWMECYJRRE-HXUWFJFHSA-N 0 1 458.562 4.786 20 0 JJADMN CCc1c(Br)cc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1Br ZINC001457142898 1066771437 /nfs/dbraw/zinc/77/14/37/1066771437.db2.gz NIJYOBVBMGVUTI-UHFFFAOYSA-N 0 1 451.162 4.889 20 0 JJADMN CCc1nc(C(=O)Nc2cc(Cl)cc(Br)c2O)nn1-c1ccccc1Cl ZINC001447089221 1066771976 /nfs/dbraw/zinc/77/19/76/1066771976.db2.gz FJGKFBRLPYIGRX-UHFFFAOYSA-N 0 1 456.127 4.857 20 0 JJADMN Cc1ccc(CSc2n[nH]c(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)n2)cc1 ZINC001457162251 1066776990 /nfs/dbraw/zinc/77/69/90/1066776990.db2.gz CGLIOIPXHJBWFN-UHFFFAOYSA-N 0 1 457.559 4.934 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2C[C@@H](c2ccsc2)N(C)C)cs1 ZINC001492662137 1066781706 /nfs/dbraw/zinc/78/17/06/1066781706.db2.gz PMCLLRBUVHCITB-ZHRRBRCNSA-N 0 1 482.679 4.901 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H](c2ccco2)N(C)C)cs1 ZINC001492662880 1066782969 /nfs/dbraw/zinc/78/29/69/1066782969.db2.gz ZDLWSPXOYJJWGP-YJBOKZPZSA-N 0 1 456.641 4.789 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2C[C@@H](c2ccco2)N(C)C)cs1 ZINC001492670441 1066799996 /nfs/dbraw/zinc/79/99/96/1066799996.db2.gz UTYOHGUOYCUHCR-UWJYYQICSA-N 0 1 456.660 4.935 20 0 JJADMN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC001457269270 1066800722 /nfs/dbraw/zinc/80/07/22/1066800722.db2.gz FPNLISHZHKROMT-INIZCTEOSA-N 0 1 454.596 4.940 20 0 JJADMN Cc1nc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](c2ccco2)N(C)C)cs1 ZINC001492674918 1066809799 /nfs/dbraw/zinc/80/97/99/1066809799.db2.gz YICDNGSHBHBSBN-SFHVURJKSA-N 0 1 482.576 4.699 20 0 JJADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)C1(c2ccccc2Br)CCCCC1 ZINC001447484360 1066813946 /nfs/dbraw/zinc/81/39/46/1066813946.db2.gz JCOCKJMFCWUJEB-UHFFFAOYSA-N 0 1 453.384 4.795 20 0 JJADMN Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H](c2ccsc2)N(C)C)cs1 ZINC001492677174 1066815991 /nfs/dbraw/zinc/81/59/91/1066815991.db2.gz YDTROWLYXKTVEC-GHTZIAJQSA-N 0 1 458.701 4.871 20 0 JJADMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C2CCCC2)nn1C ZINC001447529262 1066819043 /nfs/dbraw/zinc/81/90/43/1066819043.db2.gz GJSUYWQFMOCFPD-UHFFFAOYSA-N 0 1 456.543 4.578 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@@H](C)CC2)n1 ZINC001492688209 1066834533 /nfs/dbraw/zinc/83/45/33/1066834533.db2.gz HJABIORBIVILSQ-LJQANCHMSA-N 0 1 451.619 4.666 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@@H](C)CC2)[nH]1 ZINC001492688209 1066834542 /nfs/dbraw/zinc/83/45/42/1066834542.db2.gz HJABIORBIVILSQ-LJQANCHMSA-N 0 1 451.619 4.666 20 0 JJADMN Cc1nc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001492695343 1066841598 /nfs/dbraw/zinc/84/15/98/1066841598.db2.gz XSVVGVWXHDCLIA-BBTUJRGHSA-N 0 1 474.719 4.861 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc3cc[nH]c32)ccc1Cl ZINC001447746917 1066852355 /nfs/dbraw/zinc/85/23/55/1066852355.db2.gz WIEKDYWMKORMJY-UHFFFAOYSA-N 0 1 453.951 4.861 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)N1CCCCC1 ZINC001457549210 1066858496 /nfs/dbraw/zinc/85/84/96/1066858496.db2.gz BRZIRCVBOHBPSB-NRFANRHFSA-N 0 1 456.384 4.896 20 0 JJADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC001447917002 1066876103 /nfs/dbraw/zinc/87/61/03/1066876103.db2.gz UNAHDWPTQBCGQX-KRWDZBQOSA-N 0 1 457.481 4.969 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(C(C)C)c2)c1 ZINC001447918691 1066876920 /nfs/dbraw/zinc/87/69/20/1066876920.db2.gz LQHFOBBTJSRTIO-UHFFFAOYSA-N 0 1 452.576 4.858 20 0 JJADMN CSc1ccc(-c2nsc(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)n2)cc1 ZINC001457662581 1066892712 /nfs/dbraw/zinc/89/27/12/1066892712.db2.gz VLYIEGHJYFMWHY-UHFFFAOYSA-N 0 1 454.606 4.751 20 0 JJADMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H]4[C@H](C3)C4(C)C)c(Cl)cc2Cl)c1 ZINC001457670314 1066894374 /nfs/dbraw/zinc/89/43/74/1066894374.db2.gz MVJFWYLMIKLQLX-IYBDPMFKSA-N 0 1 453.391 4.831 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC001448068826 1066895722 /nfs/dbraw/zinc/89/57/22/1066895722.db2.gz SCRIAFLTPXEMKK-INIZCTEOSA-N 0 1 454.399 4.726 20 0 JJADMN Cc1ccc(SC2(CNC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)CCCC2)cc1 ZINC001457680702 1066895806 /nfs/dbraw/zinc/89/58/06/1066895806.db2.gz KUTKFVPEFCNIIQ-UHFFFAOYSA-N 0 1 453.633 4.605 20 0 JJADMN Cc1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)nn1-c1ccc(Cl)cc1 ZINC001448070296 1066896417 /nfs/dbraw/zinc/89/64/17/1066896417.db2.gz VRORTKFPLDFKPU-FQEVSTJZSA-N 0 1 450.892 4.886 20 0 JJADMN C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448072949 1066896988 /nfs/dbraw/zinc/89/69/88/1066896988.db2.gz ZUZAREYGLQYHFY-SCLBCKFNSA-N 0 1 459.306 4.654 20 0 JJADMN C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448072951 1066897027 /nfs/dbraw/zinc/89/70/27/1066897027.db2.gz ZUZAREYGLQYHFY-UGSOOPFHSA-N 0 1 459.306 4.654 20 0 JJADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccnc3Sc3ccc(Br)cc3)n2)o1 ZINC001457686192 1066897275 /nfs/dbraw/zinc/89/72/75/1066897275.db2.gz JSNHJZWWNJVDNL-UHFFFAOYSA-N 0 1 456.325 4.934 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)c3cc(Br)cc(Br)c3)[nH]c2c1 ZINC001448100375 1066900081 /nfs/dbraw/zinc/90/00/81/1066900081.db2.gz AENVXADNTWLMLQ-VIFPVBQESA-N 0 1 453.134 4.588 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)[nH]c2c1 ZINC001448107150 1066900556 /nfs/dbraw/zinc/90/05/56/1066900556.db2.gz VVKAITLPILSHHT-MNOVXSKESA-N 0 1 452.736 4.632 20 0 JJADMN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)cc(Cl)c3O)C2)c2ccccc12 ZINC001448120657 1066902130 /nfs/dbraw/zinc/90/21/30/1066902130.db2.gz KXNFMVSRHSDDEQ-AWEZNQCLSA-N 0 1 456.901 4.837 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3C)n2C[C@@H](c2ccco2)N(C)C)n1 ZINC001492732229 1066904735 /nfs/dbraw/zinc/90/47/35/1066904735.db2.gz LQVZMUVMNYUVTL-GMAHTHKFSA-N 0 1 461.614 4.541 20 0 JJADMN O=C(N[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1O)c1ccccc1)c1ccccc1 ZINC001457734041 1066906344 /nfs/dbraw/zinc/90/63/44/1066906344.db2.gz JSKPTQSMQNOZFR-GOSISDBHSA-N 0 1 459.727 4.918 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cccc(-c3cn[nH]n3)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001457743736 1066909053 /nfs/dbraw/zinc/90/90/53/1066909053.db2.gz SHCIVWLHDUUUGH-UXHICEINSA-N 0 1 467.957 4.714 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3OCCC(F)(F)F)n2)cc1 ZINC001448201222 1066909364 /nfs/dbraw/zinc/90/93/64/1066909364.db2.gz SWLFUOHLEXPWRR-UHFFFAOYSA-N 0 1 454.449 4.981 20 0 JJADMN Cc1cc2c[nH]nc2c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)c1 ZINC001448292656 1066916780 /nfs/dbraw/zinc/91/67/80/1066916780.db2.gz GVTOZZCQGSECNR-HXUWFJFHSA-N 0 1 454.958 4.959 20 0 JJADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)C1 ZINC001448345892 1066917955 /nfs/dbraw/zinc/91/79/55/1066917955.db2.gz CYUWEDMVIAEUQI-BPAFIMBUSA-N 0 1 458.990 4.550 20 0 JJADMN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2c3[nH]cnc3ccc2F)cc1 ZINC001448354269 1066919019 /nfs/dbraw/zinc/91/90/19/1066919019.db2.gz MPPILEZTTXVFLB-HXUWFJFHSA-N 0 1 452.530 4.699 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(-c2ccccc2)nc1C ZINC001457785350 1066919387 /nfs/dbraw/zinc/91/93/87/1066919387.db2.gz IACBLPPOBLLXDQ-XMMPIXPASA-N 0 1 454.574 4.910 20 0 JJADMN C[C@H]1CSCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1 ZINC001457787269 1066919710 /nfs/dbraw/zinc/91/97/10/1066919710.db2.gz JUOINDITEVOACY-CYBMUJFWSA-N 0 1 459.420 4.619 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC001457788639 1066920607 /nfs/dbraw/zinc/92/06/07/1066920607.db2.gz MYIGKVBBWIPZFR-XMSQKQJNSA-N 0 1 455.599 4.793 20 0 JJADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC001457790571 1066921128 /nfs/dbraw/zinc/92/11/28/1066921128.db2.gz WSITVQCTKMRCNK-OGHNNQOOSA-N 0 1 454.402 4.647 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CCCC(C)(C)C)n1 ZINC001492753135 1066926881 /nfs/dbraw/zinc/92/68/81/1066926881.db2.gz NGGJPYPWGDKHCP-HSZRJFAPSA-N 0 1 463.674 4.677 20 0 JJADMN CC(C)[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437196 1066927184 /nfs/dbraw/zinc/92/71/84/1066927184.db2.gz JUCGNRLTJRFRDB-PKTZIBPZSA-N 0 1 457.590 4.664 20 0 JJADMN CC[C@@H]1C[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001457823601 1066928337 /nfs/dbraw/zinc/92/83/37/1066928337.db2.gz UFUZFRQMBLBDPK-OCCSQVGLSA-N 0 1 471.804 4.679 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CCCC3)ccc2Cl)cc1 ZINC001457851063 1066932278 /nfs/dbraw/zinc/93/22/78/1066932278.db2.gz GZTAPCQBHOHLAN-HNNXBMFYSA-N 0 1 450.988 4.848 20 0 JJADMN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001448499435 1066933791 /nfs/dbraw/zinc/93/37/91/1066933791.db2.gz DKRUDJBKBMTZDW-UHFFFAOYSA-N 0 1 455.444 4.742 20 0 JJADMN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)C)CC2)n1 ZINC001492760974 1066933902 /nfs/dbraw/zinc/93/39/02/1066933902.db2.gz XXPKSLPFXWTWOK-OAQYLSRUSA-N 0 1 486.064 4.506 20 0 JJADMN Cc1[nH]c(SCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)nc1Cc1ccccc1 ZINC001457893993 1066937610 /nfs/dbraw/zinc/93/76/10/1066937610.db2.gz MWLXZCYGQUXIMK-LSTHTHJFSA-N 0 1 471.667 4.910 20 0 JJADMN Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1C ZINC001457917236 1066941620 /nfs/dbraw/zinc/94/16/20/1066941620.db2.gz YWILHOIIVDLUEN-YJBOKZPZSA-N 0 1 451.514 4.521 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)ccc1C ZINC001457934692 1066943236 /nfs/dbraw/zinc/94/32/36/1066943236.db2.gz KXHJIUSUAYJAMJ-GHTZIAJQSA-N 0 1 470.978 4.744 20 0 JJADMN CN(C)C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc21)c1cccc(C(F)(F)F)c1 ZINC001457976498 1066950095 /nfs/dbraw/zinc/95/00/95/1066950095.db2.gz VUZHIGHPZZYOIK-GOSISDBHSA-N 0 1 454.290 4.982 20 0 JJADMN CC[C@@H](c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545717877 1066972225 /nfs/dbraw/zinc/97/22/25/1066972225.db2.gz SXJFTCSWPPAHFX-OEMFJLHTSA-N 0 1 465.642 4.967 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC2(CC(C)C)CC2)c1 ZINC001545721021 1066975548 /nfs/dbraw/zinc/97/55/48/1066975548.db2.gz MDTUYDCCPNHCEB-UHFFFAOYSA-N 0 1 450.988 4.706 20 0 JJADMN C[C@@H](CNc1ncncc1-c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 ZINC001458112842 1066979596 /nfs/dbraw/zinc/97/95/96/1066979596.db2.gz QKQFTXZSUZEFAL-SFHVURJKSA-N 0 1 452.400 4.529 20 0 JJADMN CC[C@@H](c1nnc(N(C)Cc2nccs2)n1C[C@@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545724434 1066981213 /nfs/dbraw/zinc/98/12/13/1066981213.db2.gz QGSQSCVAHLDIOP-UXHICEINSA-N 0 1 450.612 4.809 20 0 JJADMN COC(=O)c1cc(Cl)cc(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)c1O ZINC001449217257 1066990016 /nfs/dbraw/zinc/99/00/16/1066990016.db2.gz LHIUXBLHGFKQIC-UHFFFAOYSA-N 0 1 453.804 4.802 20 0 JJADMN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449261747 1066993095 /nfs/dbraw/zinc/99/30/95/1066993095.db2.gz QGQAZHKNSHKTPL-LAUBAEHRSA-N 0 1 459.775 4.524 20 0 JJADMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1OCc1ccc(F)cc1 ZINC001449249997 1066993224 /nfs/dbraw/zinc/99/32/24/1066993224.db2.gz PGRZVEWVNHLRBM-UHFFFAOYSA-N 0 1 450.901 4.816 20 0 JJADMN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001449264472 1066994049 /nfs/dbraw/zinc/99/40/49/1066994049.db2.gz ZDYCTXHNPCZDBY-UHFFFAOYSA-N 0 1 455.946 4.977 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C)C1)N1CCOCC1 ZINC001545735529 1066999019 /nfs/dbraw/zinc/99/90/19/1066999019.db2.gz CMNOESFOEITHDA-GPUOULLFSA-N 0 1 453.675 4.803 20 0 JJADMN CC(C)n1nnnc1-c1ccc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1F ZINC001458242787 1067010366 /nfs/dbraw/zinc/01/03/66/1067010366.db2.gz JEZLREBQSLOJQH-UHFFFAOYSA-N 0 1 458.541 4.944 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@H](c1ccsc1)N(C)C)c1ccccc1 ZINC001545745464 1067012150 /nfs/dbraw/zinc/01/21/50/1067012150.db2.gz BKCBTSGYIDOITI-YMPZKCBVSA-N 0 1 481.666 4.574 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545758498 1067038581 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CCCCc1nc(C(=O)OCC)c(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)[nH]1 ZINC001458954269 1067207415 /nfs/dbraw/zinc/20/74/15/1067207415.db2.gz KPVNCIMQSRYBCX-UHFFFAOYSA-N 0 1 450.326 4.674 20 0 JJADMN CC(C)(C)OC(=O)c1cc(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)n[nH]1 ZINC001452130252 1067208294 /nfs/dbraw/zinc/20/82/94/1067208294.db2.gz IXRPCXZIZQAFBW-UHFFFAOYSA-N 0 1 452.202 4.538 20 0 JJADMN Cc1cccc(NC(=O)NC(=O)CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)c1C ZINC001458960624 1067209587 /nfs/dbraw/zinc/20/95/87/1067209587.db2.gz QWJWBUOTLAIRNK-UHFFFAOYSA-N 0 1 450.351 4.836 20 0 JJADMN O=C(Nc1n[nH]cc1C1CC1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001452243056 1067215836 /nfs/dbraw/zinc/21/58/36/1067215836.db2.gz MUVFTEBAJWOCCY-UHFFFAOYSA-N 0 1 451.335 4.647 20 0 JJADMN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001452246927 1067216208 /nfs/dbraw/zinc/21/62/08/1067216208.db2.gz NEEYQOVUEXNQEC-QFIPXVFZSA-N 0 1 459.468 4.779 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001546105715 1067233176 /nfs/dbraw/zinc/23/31/76/1067233176.db2.gz TVIQDKOMTTUMSF-NZSAHSFTSA-N 0 1 458.580 4.747 20 0 JJADMN CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)C)CC2)O1 ZINC001546044644 1067254654 /nfs/dbraw/zinc/25/46/54/1067254654.db2.gz DLHLPEMFIQNGFS-RZTXVSJASA-N 0 1 476.065 4.950 20 0 JJADMN CCOC(=O)C1C(CS[C@H]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459161804 1067264062 /nfs/dbraw/zinc/26/40/62/1067264062.db2.gz BISLDKJRDRWQJA-SIKLNZKXSA-N 0 1 456.995 4.802 20 0 JJADMN CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)C(C)(C)c1ccccc1 ZINC001452917233 1067264230 /nfs/dbraw/zinc/26/42/30/1067264230.db2.gz JKFGMTBJJPIRJD-UHFFFAOYSA-N 0 1 458.967 4.854 20 0 JJADMN C[C@@H](Oc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1)c1ccccc1 ZINC001452958204 1067267662 /nfs/dbraw/zinc/26/76/62/1067267662.db2.gz MQWMPOWKSVSJLQ-DLBZAZTESA-N 0 1 459.571 4.853 20 0 JJADMN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC001453125376 1067281428 /nfs/dbraw/zinc/28/14/28/1067281428.db2.gz JQCKICKLXIABFG-HOTGVXAUSA-N 0 1 456.505 4.862 20 0 JJADMN C[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC001453131752 1067282551 /nfs/dbraw/zinc/28/25/51/1067282551.db2.gz RJOVBUYDCHTINJ-AGRHKRQWSA-N 0 1 456.867 4.646 20 0 JJADMN CC(C)COc1cccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC001453131520 1067282683 /nfs/dbraw/zinc/28/26/83/1067282683.db2.gz QDYXROZCCUBWNZ-SFTDATJTSA-N 0 1 466.475 4.537 20 0 JJADMN CC(C)(C)c1ccc(OCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001453135319 1067283055 /nfs/dbraw/zinc/28/30/55/1067283055.db2.gz YVRUQBTZCLTEPC-SFTDATJTSA-N 0 1 480.502 4.565 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)N3CCC[C@@]3(C)Cc3ccccc3Cl)c2C1 ZINC001453226188 1067290381 /nfs/dbraw/zinc/29/03/81/1067290381.db2.gz MHFVTMIRGRFFPQ-DEOSSOPVSA-N 0 1 458.990 4.594 20 0 JJADMN CCSc1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)c(Br)c1 ZINC001459356788 1067302250 /nfs/dbraw/zinc/30/22/50/1067302250.db2.gz LKOFBRDWGZLKBC-UHFFFAOYSA-N 0 1 455.384 4.648 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(Br)cc3OC)n[nH]2)cc1 ZINC001453394328 1067302974 /nfs/dbraw/zinc/30/29/74/1067302974.db2.gz BJBGHNHOHZHZAP-FQEVSTJZSA-N 0 1 456.340 4.834 20 0 JJADMN CCN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1cccc(Br)c1 ZINC001459377318 1067307601 /nfs/dbraw/zinc/30/76/01/1067307601.db2.gz YVZZDTZTDGIQJZ-UHFFFAOYSA-N 0 1 455.278 4.805 20 0 JJADMN COc1ccc(-c2cc(C(=O)Nc3ncc(Cc4cc(F)cc(F)c4)s3)[nH]n2)cc1OC ZINC001453477887 1067307714 /nfs/dbraw/zinc/30/77/14/1067307714.db2.gz KSVGHJWQJXBMQW-UHFFFAOYSA-N 0 1 456.474 4.672 20 0 JJADMN COc1cccc(S(=O)(=O)CCN(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC001459388300 1067310996 /nfs/dbraw/zinc/31/09/96/1067310996.db2.gz AWLMZMQYLQIKED-SELNLUPBSA-N 0 1 459.608 4.525 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3CC(C)(C)c4ccc(Br)cc43)[nH]n2)c(OC)c1 ZINC001453552140 1067314018 /nfs/dbraw/zinc/31/40/18/1067314018.db2.gz CDYPAYJVYNFOJI-UHFFFAOYSA-N 0 1 456.340 4.794 20 0 JJADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCC[C@@H](C2CCC2)C1 ZINC001453686977 1067322718 /nfs/dbraw/zinc/32/27/18/1067322718.db2.gz YQQSRWBQFWYBRN-QGZVFWFLSA-N 0 1 450.963 4.932 20 0 JJADMN CCCc1sc(C(=O)N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1CC ZINC001453768120 1067328235 /nfs/dbraw/zinc/32/82/35/1067328235.db2.gz CRWBKIYXJCNWFC-DEOSSOPVSA-N 0 1 458.628 4.521 20 0 JJADMN CCS[C@H]1CCCCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)C1 ZINC001459461422 1067330051 /nfs/dbraw/zinc/33/00/51/1067330051.db2.gz DDUVHAHMTLFVDB-UKILVPOCSA-N 0 1 451.636 4.981 20 0 JJADMN O=C(CN(Cc1ccccc1)CC1CCOCC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459477399 1067334710 /nfs/dbraw/zinc/33/47/10/1067334710.db2.gz HGXBMTHIHYBNDC-UHFFFAOYSA-N 0 1 453.583 4.740 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1)c1c(F)cccc1F ZINC001453909352 1067335446 /nfs/dbraw/zinc/33/54/46/1067335446.db2.gz MDLKXVCYGQUTAK-INIZCTEOSA-N 0 1 454.836 4.838 20 0 JJADMN C[C@@H](c1ccc(Br)cc1)N1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC001459481065 1067335838 /nfs/dbraw/zinc/33/58/38/1067335838.db2.gz AMNYWVYAYFTQMH-INIZCTEOSA-N 0 1 450.808 4.810 20 0 JJADMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC001459500387 1067339539 /nfs/dbraw/zinc/33/95/39/1067339539.db2.gz FUBQQNMUKDLVRH-UHFFFAOYSA-N 0 1 459.565 4.915 20 0 JJADMN COc1ccc(CN2CCN(C(=O)CN(C)[C@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459558611 1067350980 /nfs/dbraw/zinc/35/09/80/1067350980.db2.gz WYJVVBKLEXLHSB-HSZRJFAPSA-N 0 1 457.618 4.699 20 0 JJADMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC001459561073 1067352013 /nfs/dbraw/zinc/35/20/13/1067352013.db2.gz CEYSZFLXEUSPCS-GMAHTHKFSA-N 0 1 456.428 4.507 20 0 JJADMN CCOC(=O)C1C(CN2CC[C@H](C)C[C@@H]2c2ccco2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459563726 1067352381 /nfs/dbraw/zinc/35/23/81/1067352381.db2.gz NCEHQRXYVHYQGU-LYLBAIIYSA-N 0 1 457.958 4.577 20 0 JJADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC001459582211 1067356322 /nfs/dbraw/zinc/35/63/22/1067356322.db2.gz MPJCRVJWIWUVOX-RDJZCZTQSA-N 0 1 456.484 4.758 20 0 JJADMN CN(C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC001459580508 1067356534 /nfs/dbraw/zinc/35/65/34/1067356534.db2.gz DMBJAIZLIJIKAV-RDJZCZTQSA-N 0 1 457.434 4.554 20 0 JJADMN O=C(CN(CCCO)[C@@H]1CCCc2ccccc21)Nc1ccc(Br)cc1Cl ZINC001459584278 1067357551 /nfs/dbraw/zinc/35/75/51/1067357551.db2.gz RIGCGZPUFSHRMX-HXUWFJFHSA-N 0 1 451.792 4.803 20 0 JJADMN O=C(CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC001459604569 1067361031 /nfs/dbraw/zinc/36/10/31/1067361031.db2.gz AJWBHFHNGVZOQO-MJGOQNOKSA-N 0 1 456.530 4.631 20 0 JJADMN CCN(CC)[C@@H](C(=O)NCc1nc(-c2cccc(F)c2)no1)c1cccc(C(F)(F)F)c1 ZINC001459615428 1067365001 /nfs/dbraw/zinc/36/50/01/1067365001.db2.gz MBUZULRGOFKDFZ-LJQANCHMSA-N 0 1 450.436 4.594 20 0 JJADMN CCN(CC)[C@H](C(=O)NCc1nc(-c2cccc(F)c2)no1)c1cccc(C(F)(F)F)c1 ZINC001459615421 1067365036 /nfs/dbraw/zinc/36/50/36/1067365036.db2.gz MBUZULRGOFKDFZ-IBGZPJMESA-N 0 1 450.436 4.594 20 0 JJADMN CCO[C@H]1C[C@@H](N(C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664825 1067376102 /nfs/dbraw/zinc/37/61/02/1067376102.db2.gz BYFXCWWXEPROHU-MSOLQXFVSA-N 0 1 452.336 4.726 20 0 JJADMN O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC001459681426 1067382264 /nfs/dbraw/zinc/38/22/64/1067382264.db2.gz UKDZXDWPUMESKR-UHFFFAOYSA-N 0 1 453.524 4.655 20 0 JJADMN CCOC(=O)C1=C(CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)NC(=O)N[C@@H]1c1ccco1 ZINC001459685615 1067383171 /nfs/dbraw/zinc/38/31/71/1067383171.db2.gz PHQXOJMHJVRFEE-DNQXCXABSA-N 0 1 453.583 4.636 20 0 JJADMN Cc1ccc(CN(C(=O)CN2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687405 1067383826 /nfs/dbraw/zinc/38/38/26/1067383826.db2.gz PUQMHQVPYDKXRA-BJKOFHAPSA-N 0 1 455.643 4.740 20 0 JJADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccc2c(c1)CCCC2 ZINC001459724853 1067396865 /nfs/dbraw/zinc/39/68/65/1067396865.db2.gz ZBOIRNSUQKUVPT-XHOYROJHSA-N 0 1 457.659 4.756 20 0 JJADMN Cc1cccc(NC(=O)NC(=O)CN2CCC(C)(c3cccc(Br)c3)CC2)c1C ZINC001459780477 1067418278 /nfs/dbraw/zinc/41/82/78/1067418278.db2.gz ODEAHRNSYLXVGX-UHFFFAOYSA-N 0 1 458.400 4.768 20 0 JJADMN O[C@@H](COc1ccccc1C(F)(F)F)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001459790046 1067423335 /nfs/dbraw/zinc/42/33/35/1067423335.db2.gz ZKKJHUSHDZXZJE-QWHCGFSZSA-N 0 1 454.436 4.800 20 0 JJADMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792850 1067425655 /nfs/dbraw/zinc/42/56/55/1067425655.db2.gz WDKWFECZMOBFBV-HXAGEGRHSA-N 0 1 454.634 4.671 20 0 JJADMN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccc(SC(F)(F)F)c3)C2)cc1 ZINC001459795090 1067427173 /nfs/dbraw/zinc/42/71/73/1067427173.db2.gz JFUSJMRMWYEQEW-GOSISDBHSA-N 0 1 458.571 4.797 20 0 JJADMN CN(CC(=O)Nc1ccc(SC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459798678 1067428701 /nfs/dbraw/zinc/42/87/01/1067428701.db2.gz UBRDTJBJZASMDX-SJPCQFCGSA-N 0 1 455.571 4.802 20 0 JJADMN CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546112065 1067436461 /nfs/dbraw/zinc/43/64/61/1067436461.db2.gz BJVGWZKFUQHQER-DHIUTWEWSA-N 0 1 469.674 4.681 20 0 JJADMN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C[C@H](O)c1cc(OC)ccc1OC ZINC001459819664 1067437762 /nfs/dbraw/zinc/43/77/62/1067437762.db2.gz IMZBUSQOPPUMEZ-UGKGYDQZSA-N 0 1 452.517 4.747 20 0 JJADMN COC(=O)c1c(NC(=O)CN[C@H](CC(C)C)c2ccccc2OC)sc2c1CC[C@H](C)C2 ZINC001459819906 1067438367 /nfs/dbraw/zinc/43/83/67/1067438367.db2.gz XEWXWLXPVSTKQC-QFBILLFUSA-N 0 1 458.624 4.984 20 0 JJADMN C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC001459823447 1067440281 /nfs/dbraw/zinc/44/02/81/1067440281.db2.gz ASXGHUGSXXGTTR-KBPBESRZSA-N 0 1 454.373 4.771 20 0 JJADMN Cc1cccc(COc2ccc([C@@H](C)NCC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2)c1 ZINC001459823870 1067440298 /nfs/dbraw/zinc/44/02/98/1067440298.db2.gz FOYWYMWQJAIPEW-NOZRDPDXSA-N 0 1 457.618 4.867 20 0 JJADMN CCOC(=O)C1=C(CN[C@@H](c2ccccc2C)C2CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833198 1067444811 /nfs/dbraw/zinc/44/48/11/1067444811.db2.gz JFGCIULODKPBAY-PKTZIBPZSA-N 0 1 453.970 4.560 20 0 JJADMN CC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC001459837894 1067447614 /nfs/dbraw/zinc/44/76/14/1067447614.db2.gz WNZCCNIOEGBOEZ-UGSOOPFHSA-N 0 1 459.518 4.927 20 0 JJADMN CCCCOc1ccc([C@@H](C)NCCN2c3cccc4cccc(c34)S2(=O)=O)cc1OC ZINC001459840653 1067448115 /nfs/dbraw/zinc/44/81/15/1067448115.db2.gz DRDUQJNPYFRGLS-GOSISDBHSA-N 0 1 454.592 4.887 20 0 JJADMN C[C@@H](NCC(=O)NCc1ccc(OC(F)F)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459840781 1067448586 /nfs/dbraw/zinc/44/85/86/1067448586.db2.gz PVUWWYSRUSTZIT-QGZVFWFLSA-N 0 1 453.489 4.507 20 0 JJADMN COc1cc([C@@H](C)NCCN2c3cccc4cccc(c34)S2(=O)=O)ccc1OCC(C)C ZINC001459843850 1067450621 /nfs/dbraw/zinc/45/06/21/1067450621.db2.gz QZYLCASVGJTHHA-GOSISDBHSA-N 0 1 454.592 4.743 20 0 JJADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2ccc(OC(C)C)c(OC)c2)c(OC)c1 ZINC001459846327 1067452053 /nfs/dbraw/zinc/45/20/53/1067452053.db2.gz GTFGDNRULJZYNU-GCJKJVERSA-N 0 1 456.583 4.514 20 0 JJADMN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459850802 1067455596 /nfs/dbraw/zinc/45/55/96/1067455596.db2.gz LMYKHSXQFYUWAR-JKSUJKDBSA-N 0 1 459.468 4.906 20 0 JJADMN Cc1cc(CN2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864751 1067463047 /nfs/dbraw/zinc/46/30/47/1067463047.db2.gz USPGISHZTMQUMX-CVEARBPZSA-N 0 1 458.384 4.643 20 0 JJADMN Cc1cc(CN2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459864755 1067463687 /nfs/dbraw/zinc/46/36/87/1067463687.db2.gz USPGISHZTMQUMX-HZPDHXFCSA-N 0 1 458.384 4.643 20 0 JJADMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001459866203 1067464115 /nfs/dbraw/zinc/46/41/15/1067464115.db2.gz FMCPUKQVRJAUOL-HUUCEWRRSA-N 0 1 454.527 4.584 20 0 JJADMN C[C@H](NCC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC001459868957 1067465658 /nfs/dbraw/zinc/46/56/58/1067465658.db2.gz RTCBTXGBFPYZGN-MMTVBGGISA-N 0 1 459.565 4.851 20 0 JJADMN COC(=O)c1ccc2c(c1)nc(CN(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869830 1067466264 /nfs/dbraw/zinc/46/62/64/1067466264.db2.gz MQSVYGILOLWFOH-PXNSSMCTSA-N 0 1 459.468 4.909 20 0 JJADMN COC(=O)c1ccc2c(c1)nc(CN(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC001459869833 1067466291 /nfs/dbraw/zinc/46/62/91/1067466291.db2.gz MQSVYGILOLWFOH-XLIONFOSSA-N 0 1 459.468 4.909 20 0 JJADMN CCC1(CC)CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546112588 1067478574 /nfs/dbraw/zinc/47/85/74/1067478574.db2.gz XFVQGKDFZNCSFM-NHCUHLMSSA-N 0 1 473.637 4.512 20 0 JJADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)NC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC001459898297 1067478658 /nfs/dbraw/zinc/47/86/58/1067478658.db2.gz CDAZCPAJFAZCHK-MRXNPFEDSA-N 0 1 452.580 4.743 20 0 JJADMN CCC1(CC)CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546112600 1067481374 /nfs/dbraw/zinc/48/13/74/1067481374.db2.gz XPWPSXOZAUJNQE-DHIUTWEWSA-N 0 1 469.674 4.681 20 0 JJADMN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCC(=O)N(C)CC(F)(F)F ZINC001459910505 1067485234 /nfs/dbraw/zinc/48/52/34/1067485234.db2.gz LVKPIGLTVLJPFW-JTQLQIEISA-N 0 1 450.324 4.552 20 0 JJADMN CC[C@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001459916558 1067489480 /nfs/dbraw/zinc/48/94/80/1067489480.db2.gz MWSFDZGMZMPVNP-YTMVLYRLSA-N 0 1 459.609 4.970 20 0 JJADMN CC[C@@H]1CN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCN1Cc1ccccc1 ZINC001459918238 1067490487 /nfs/dbraw/zinc/49/04/87/1067490487.db2.gz XJLAEZCFRCIOFO-DNQXCXABSA-N 0 1 459.556 4.793 20 0 JJADMN CN(CCCN(C)C(=O)c1cc(Br)c(C(F)(F)F)cc1F)Cc1ccco1 ZINC001459940254 1067500066 /nfs/dbraw/zinc/50/00/66/1067500066.db2.gz KSFKKDHAFJPIRQ-UHFFFAOYSA-N 0 1 451.258 4.794 20 0 JJADMN Cc1ccc(F)c(N2CCC[C@@H](N3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)C2=O)c1 ZINC001459953032 1067505498 /nfs/dbraw/zinc/50/54/98/1067505498.db2.gz NZCWMWVWDDWROH-OAQYLSRUSA-N 0 1 459.606 4.743 20 0 JJADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC001459978261 1067513599 /nfs/dbraw/zinc/51/35/99/1067513599.db2.gz CVTZFERDLZWLPB-GBXCKJPGSA-N 0 1 459.428 4.978 20 0 JJADMN CC[C@@H](Cc1ccccc1Br)N(C)CCCS(=O)(=O)c1ccccc1OC ZINC001459979417 1067514429 /nfs/dbraw/zinc/51/44/29/1067514429.db2.gz IFZQHMRCJKROLW-SFHVURJKSA-N 0 1 454.430 4.575 20 0 JJADMN CC(=O)c1cccc(NC(=O)CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 ZINC001459984288 1067515664 /nfs/dbraw/zinc/51/56/64/1067515664.db2.gz ASQSFRVBHZVXIL-QFIPXVFZSA-N 0 1 452.352 4.559 20 0 JJADMN C[C@H]1CN(c2cccc(CN(C)Cc3cc(Cl)cc(Br)c3)c2)S(=O)(=O)C1 ZINC001460027442 1067533073 /nfs/dbraw/zinc/53/30/73/1067533073.db2.gz YJPYSARYYPIZOO-AWEZNQCLSA-N 0 1 457.821 4.520 20 0 JJADMN C[C@@H]1CN(c2cccc(CN(C)Cc3cc(Cl)cc(Br)c3)c2)S(=O)(=O)C1 ZINC001460027445 1067533102 /nfs/dbraw/zinc/53/31/02/1067533102.db2.gz YJPYSARYYPIZOO-CQSZACIVSA-N 0 1 457.821 4.520 20 0 JJADMN COc1cc(Cl)c(C)cc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001460029958 1067533557 /nfs/dbraw/zinc/53/35/57/1067533557.db2.gz ONMFTGHEDVEOBE-UHFFFAOYSA-N 0 1 456.892 4.910 20 0 JJADMN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)COc1cc(F)cc(Br)c1 ZINC001460031233 1067534415 /nfs/dbraw/zinc/53/44/15/1067534415.db2.gz YOWNHLUXZVHYIS-YJBOKZPZSA-N 0 1 450.270 4.920 20 0 JJADMN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC001460031228 1067534577 /nfs/dbraw/zinc/53/45/77/1067534577.db2.gz YOWNHLUXZVHYIS-CRAIPNDOSA-N 0 1 450.270 4.920 20 0 JJADMN CCOC(=O)C1C(CN2C[C@H](C(C)C)c3ccccc32)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460046658 1067538346 /nfs/dbraw/zinc/53/83/46/1067538346.db2.gz SFHQTZMQMSMNPM-XXBNENTESA-N 0 1 453.970 4.771 20 0 JJADMN FC(F)(F)c1ccc(C[C@@]2(NCc3cn4cc(Br)ccc4n3)CCOC2)cc1 ZINC001460075333 1067547154 /nfs/dbraw/zinc/54/71/54/1067547154.db2.gz ZSFAEVWKBYGNIP-IBGZPJMESA-N 0 1 454.290 4.607 20 0 JJADMN COc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)c(Cl)c1 ZINC001460092693 1067552801 /nfs/dbraw/zinc/55/28/01/1067552801.db2.gz JEMDSPWTHQNVQR-CYBMUJFWSA-N 0 1 452.780 4.504 20 0 JJADMN CCCc1nc(C)c(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)s1 ZINC001460095419 1067553051 /nfs/dbraw/zinc/55/30/51/1067553051.db2.gz VBFHWSALDIUVIN-CYBMUJFWSA-N 0 1 451.434 4.559 20 0 JJADMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC001460116471 1067558626 /nfs/dbraw/zinc/55/86/26/1067558626.db2.gz CGUFRWDMJQDWAD-KRWDZBQOSA-N 0 1 454.368 4.698 20 0 JJADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@H](C)c3ccc(OC)c(OC)c3C)n2)cc1 ZINC001460171833 1067569779 /nfs/dbraw/zinc/56/97/79/1067569779.db2.gz BNRGCUQDQCTNGQ-HZPDHXFCSA-N 0 1 455.580 4.822 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@@H](CN2Cc3ccccc3OC(C)(C)C2)c2ccccc2)cc1 ZINC001460174413 1067570591 /nfs/dbraw/zinc/57/05/91/1067570591.db2.gz IXSNOTVKVNNRIB-DEOSSOPVSA-N 0 1 450.604 4.688 20 0 JJADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001460181515 1067573047 /nfs/dbraw/zinc/57/30/47/1067573047.db2.gz QDBQHBNRZKURIX-OPAMFIHVSA-N 0 1 455.352 4.892 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215865 1067581389 /nfs/dbraw/zinc/58/13/89/1067581389.db2.gz RKOGKNGTNCMZNI-JXFKEZNVSA-N 0 1 453.986 4.919 20 0 JJADMN COc1cccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 ZINC001460217072 1067581775 /nfs/dbraw/zinc/58/17/75/1067581775.db2.gz WYFFXUTWSBSHNO-TZIWHRDSSA-N 0 1 456.587 4.747 20 0 JJADMN CC(C)OCc1ccc(CNC(=O)CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001460218140 1067582451 /nfs/dbraw/zinc/58/24/51/1067582451.db2.gz XKSGZKWPXPMCPR-HSZRJFAPSA-N 0 1 455.002 4.985 20 0 JJADMN COC(=O)[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1Cl ZINC001460220737 1067583103 /nfs/dbraw/zinc/58/31/03/1067583103.db2.gz AEMABEDAORDGFH-ICDZXHCJSA-N 0 1 452.957 4.951 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1F ZINC001460239098 1067588194 /nfs/dbraw/zinc/58/81/94/1067588194.db2.gz HKOBYQDRKGYFAS-PZJWPPBQSA-N 0 1 461.965 4.800 20 0 JJADMN C[C@@H]1C[C@H](C)N(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269813 1067594202 /nfs/dbraw/zinc/59/42/02/1067594202.db2.gz HBQPFRUQHKDEFF-KAQDMCDHSA-N 0 1 457.659 4.905 20 0 JJADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCSC[C@@H]1C1CCC1 ZINC001460273447 1067595379 /nfs/dbraw/zinc/59/53/79/1067595379.db2.gz URSMUTJABWCBJH-YADARESESA-N 0 1 451.636 4.676 20 0 JJADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1CCSC[C@@H]1C1CCC1 ZINC001460273445 1067595484 /nfs/dbraw/zinc/59/54/84/1067595484.db2.gz URSMUTJABWCBJH-NTKDMRAZSA-N 0 1 451.636 4.676 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccc(F)cc2Cl)C1 ZINC001460317096 1067606460 /nfs/dbraw/zinc/60/64/60/1067606460.db2.gz JIPJYCDCNULWTC-SLYNCCJLSA-N 0 1 456.986 4.785 20 0 JJADMN Cc1ccc(C)c(-c2cc(NC(=O)CN3CCN(C)[C@@H](C(C)(C)C)C3)n(-c3ccccc3)n2)c1 ZINC001460326728 1067608745 /nfs/dbraw/zinc/60/87/45/1067608745.db2.gz CITSLGUVLKNUKB-RUZDIDTESA-N 0 1 459.638 4.757 20 0 JJADMN CC(C)(C)OC(=O)C1(NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCCCC1 ZINC001460334055 1067610531 /nfs/dbraw/zinc/61/05/31/1067610531.db2.gz CZPYQVZXTOLIRI-UHFFFAOYSA-N 0 1 454.493 4.545 20 0 JJADMN CCN1CCC(NC(=O)COc2ccc3ccccc3c2Br)(C(F)(F)F)CC1 ZINC001460345563 1067613455 /nfs/dbraw/zinc/61/34/55/1067613455.db2.gz MHRVPVVZSOWOQU-UHFFFAOYSA-N 0 1 459.306 4.514 20 0 JJADMN CCCc1ccc(C[N@H+]2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001460369496 1067619986 /nfs/dbraw/zinc/61/99/86/1067619986.db2.gz ZPHVIJYSRBLDQX-FPOVZHCZSA-N 0 1 452.492 4.823 20 0 JJADMN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2ccn(C3CCCC3)n2)cc1 ZINC001460388474 1067624296 /nfs/dbraw/zinc/62/42/96/1067624296.db2.gz IIXUKPWVONIJOM-ZEQRLZLVSA-N 0 1 454.615 4.890 20 0 JJADMN COC(=O)c1oc([C@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1C ZINC001460389281 1067624494 /nfs/dbraw/zinc/62/44/94/1067624494.db2.gz JYFOVQMIEZVCIY-PWIZWCRZSA-N 0 1 460.546 4.958 20 0 JJADMN O=C([N-][C@H]1C[N@@H+](CC2(O)CCC(c3ccccc3)CC2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460391536 1067624917 /nfs/dbraw/zinc/62/49/17/1067624917.db2.gz OEWIQCMCPLGATB-MTNWZPEHSA-N 0 1 478.530 4.751 20 0 JJADMN C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@@]3(C)Cc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC001460404162 1067627703 /nfs/dbraw/zinc/62/77/03/1067627703.db2.gz NEGRECBEWPAIFM-UNVFRBQDSA-N 0 1 456.030 4.989 20 0 JJADMN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nc(CCc4ccccc4)no3)C2)CC1 ZINC001460406033 1067628182 /nfs/dbraw/zinc/62/81/82/1067628182.db2.gz BBCDHOWXUYSKBS-QFIPXVFZSA-N 0 1 454.615 4.714 20 0 JJADMN CC[C@@]1(Cc2ccccc2)CCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC001460413813 1067630730 /nfs/dbraw/zinc/63/07/30/1067630730.db2.gz XUEUCYGIYROPEX-QPPBQGQZSA-N 0 1 459.512 4.780 20 0 JJADMN O=C([N-][C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460464033 1067638509 /nfs/dbraw/zinc/63/85/09/1067638509.db2.gz SNWFAUOKBHSGPI-FGZHOGPDSA-N 0 1 455.480 4.911 20 0 JJADMN O=C(N[C@@H]1CN(Cc2ccccc2Oc2cccnc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460464033 1067638513 /nfs/dbraw/zinc/63/85/13/1067638513.db2.gz SNWFAUOKBHSGPI-FGZHOGPDSA-N 0 1 455.480 4.911 20 0 JJADMN CCN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001460538517 1067653136 /nfs/dbraw/zinc/65/31/36/1067653136.db2.gz NIXSDIVLIZXMDG-YJBOKZPZSA-N 0 1 452.348 4.615 20 0 JJADMN Cc1cccc(C[C@]2(C)CCCN2CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC001460563721 1067656387 /nfs/dbraw/zinc/65/63/87/1067656387.db2.gz ZHQSTQHKTUIJCX-QPPBQGQZSA-N 0 1 459.512 4.698 20 0 JJADMN CN(CCCN1c2ccccc2Sc2ccccc21)CC(=O)NC(=O)NC1CCCCC1 ZINC001460574301 1067659193 /nfs/dbraw/zinc/65/91/93/1067659193.db2.gz VWKOLDRNAYRYGR-UHFFFAOYSA-N 0 1 452.624 4.770 20 0 JJADMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc(Cl)ccc4s3)cc2)n1 ZINC001460624434 1067676376 /nfs/dbraw/zinc/67/63/76/1067676376.db2.gz AWLFIMDRLYEDDK-UHFFFAOYSA-N 0 1 458.952 4.706 20 0 JJADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC001460649828 1067686794 /nfs/dbraw/zinc/68/67/94/1067686794.db2.gz DAADJZLBXMBVLU-UHFFFAOYSA-N 0 1 453.546 4.829 20 0 JJADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001460667290 1067694116 /nfs/dbraw/zinc/69/41/16/1067694116.db2.gz RBFLHROULWONNI-KRWDZBQOSA-N 0 1 451.436 4.780 20 0 JJADMN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(Cc1ccc(SC)c(OC)c1)C(C)C ZINC001460713443 1067706809 /nfs/dbraw/zinc/70/68/09/1067706809.db2.gz OSHGDCAAPCYEME-OAHLLOKOSA-N 0 1 450.626 4.811 20 0 JJADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001460721943 1067709304 /nfs/dbraw/zinc/70/93/04/1067709304.db2.gz DBTIAQZIJMPUTD-RBBKRZOGSA-N 0 1 452.986 4.798 20 0 JJADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001460721950 1067709445 /nfs/dbraw/zinc/70/94/45/1067709445.db2.gz DBTIAQZIJMPUTD-UNMCSNQZSA-N 0 1 452.986 4.798 20 0 JJADMN Cc1cc2oc(=O)cc(CN3C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C3)c2cc1C ZINC001460750874 1067715991 /nfs/dbraw/zinc/71/59/91/1067715991.db2.gz XNBLIIBUTMSTPN-AEFFLSMTSA-N 0 1 454.489 4.545 20 0 JJADMN Cc1cc2oc(=O)cc(CN3C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C3)c2cc1C ZINC001460750881 1067716180 /nfs/dbraw/zinc/71/61/80/1067716180.db2.gz XNBLIIBUTMSTPN-SJLPKXTDSA-N 0 1 454.489 4.545 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779785 1067721973 /nfs/dbraw/zinc/72/19/73/1067721973.db2.gz YTXIAMSDZBSCCE-LGVUCKNBSA-N 0 1 455.643 4.856 20 0 JJADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460779785 1067721977 /nfs/dbraw/zinc/72/19/77/1067721977.db2.gz YTXIAMSDZBSCCE-LGVUCKNBSA-N 0 1 455.643 4.856 20 0 JJADMN COc1ccc(CCNC(=O)[C@H](C)N[C@@H](C)c2cccc(SC(F)(F)F)c2)cc1OC ZINC001460801825 1067726954 /nfs/dbraw/zinc/72/69/54/1067726954.db2.gz BCSOXUWRBLHFRG-GJZGRUSLSA-N 0 1 456.530 4.714 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC001460854575 1067735112 /nfs/dbraw/zinc/73/51/12/1067735112.db2.gz IMBKACHLAXAIHX-UHFFFAOYSA-N 0 1 456.940 4.560 20 0 JJADMN C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1 ZINC001460857234 1067735464 /nfs/dbraw/zinc/73/54/64/1067735464.db2.gz XCYIKJFVXBTWQY-INIZCTEOSA-N 0 1 457.537 4.761 20 0 JJADMN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC001460871516 1067739467 /nfs/dbraw/zinc/73/94/67/1067739467.db2.gz PEXXLDXAUULOTN-OPAMFIHVSA-N 0 1 458.521 4.596 20 0 JJADMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@H]1C ZINC001460936878 1067750970 /nfs/dbraw/zinc/75/09/70/1067750970.db2.gz HTWIYIBXTSPYQT-FDUPRNSESA-N 0 1 454.636 4.520 20 0 JJADMN CC(C)(C)OC(=O)NC[C@]12CN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]1CCCC2 ZINC001460970049 1067754587 /nfs/dbraw/zinc/75/45/87/1067754587.db2.gz GOKZMVCGFOAKRL-IVZQSRNASA-N 0 1 456.414 4.949 20 0 JJADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460983203 1067756801 /nfs/dbraw/zinc/75/68/01/1067756801.db2.gz UZHOINNSUQTIDM-IAGOWNOFSA-N 0 1 451.558 4.699 20 0 JJADMN CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460989525 1067758357 /nfs/dbraw/zinc/75/83/57/1067758357.db2.gz WWIDBGXIGHBQJW-WBVHZDCISA-N 0 1 458.430 4.892 20 0 JJADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001461097602 1067781316 /nfs/dbraw/zinc/78/13/16/1067781316.db2.gz UXYSWPBASWUTCL-KRWDZBQOSA-N 0 1 457.855 4.522 20 0 JJADMN CCCC[C@@H](NCc1cc2ccc(F)cc2[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461132979 1067787315 /nfs/dbraw/zinc/78/73/15/1067787315.db2.gz SNSKEYVDPXOPNI-HSZRJFAPSA-N 0 1 450.558 4.967 20 0 JJADMN CC[C@@H](C)[C@H](NCc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146345 1067788981 /nfs/dbraw/zinc/78/89/81/1067788981.db2.gz CQWLLEICBNJCHE-ZHRRBRCNSA-N 0 1 459.432 4.896 20 0 JJADMN COC(=O)c1cc(CN[C@H](c2ccccc2)c2ccc(OC)c(Br)c2)n(C)c1C ZINC001461190075 1067796026 /nfs/dbraw/zinc/79/60/26/1067796026.db2.gz NTDGKTLJDUWBIC-JOCHJYFZSA-N 0 1 457.368 4.770 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C1CCCCC1 ZINC001461197921 1067797535 /nfs/dbraw/zinc/79/75/35/1067797535.db2.gz ZESOJKQCUQYVKE-IBGZPJMESA-N 0 1 451.974 4.623 20 0 JJADMN CC(C)[C@H](CNCc1cc(Br)sc1Br)NC(=O)OC(C)(C)C ZINC001461199458 1067797900 /nfs/dbraw/zinc/79/79/00/1067797900.db2.gz XTEBOXPTEJQGGY-NSHDSACASA-N 0 1 456.244 4.912 20 0 JJADMN FC(F)(F)c1cnc(OCCNCc2csc(-c3ccc4c(c3)OCO4)n2)c(Cl)c1 ZINC001461233695 1067806000 /nfs/dbraw/zinc/80/60/00/1067806000.db2.gz RKFRTRYCJOTDLW-UHFFFAOYSA-N 0 1 457.861 4.775 20 0 JJADMN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001461298902 1067821996 /nfs/dbraw/zinc/82/19/96/1067821996.db2.gz GPOZPWLIIMTOLS-UHOSZYNNSA-N 0 1 450.608 4.890 20 0 JJADMN COC(=O)[C@@]1(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001461308348 1067825115 /nfs/dbraw/zinc/82/51/15/1067825115.db2.gz XFKJWNIJKSKHET-JYFHCDHNSA-N 0 1 457.014 4.794 20 0 JJADMN O=C(N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21)C(F)(F)c1cc(Cl)ccc1Cl ZINC001461326400 1067829076 /nfs/dbraw/zinc/82/90/76/1067829076.db2.gz AGVFAPBRFLQQTN-UXHICEINSA-N 0 1 455.332 4.587 20 0 JJADMN CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001461327302 1067829733 /nfs/dbraw/zinc/82/97/33/1067829733.db2.gz DUZPZKKMSIDFRY-FTJBHMTQSA-N 0 1 450.623 4.512 20 0 JJADMN COc1cc(CNCc2ccnn2CC2CC2)cc(Br)c1OCc1ccccc1 ZINC001461406205 1067847711 /nfs/dbraw/zinc/84/77/11/1067847711.db2.gz IHQKNNBKZNXSDK-UHFFFAOYSA-N 0 1 456.384 4.933 20 0 JJADMN CCOc1cc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1OCC(=O)N1CCCCC1 ZINC001461412448 1067849628 /nfs/dbraw/zinc/84/96/28/1067849628.db2.gz VMECPPLJRNVMDD-IBGZPJMESA-N 0 1 456.631 4.587 20 0 JJADMN C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001461414360 1067850180 /nfs/dbraw/zinc/85/01/80/1067850180.db2.gz AGAJMFWVVYFQCW-GKCIPKSASA-N 0 1 470.894 4.721 20 0 JJADMN COc1cc(CN[C@H](Cn2ccccc2=O)c2ccccc2)ccc1OCc1c(C)noc1C ZINC001461460593 1067862319 /nfs/dbraw/zinc/86/23/19/1067862319.db2.gz FGGLYGBFJASLRO-XMMPIXPASA-N 0 1 459.546 4.572 20 0 JJADMN C[C@@](CO)(NCc1cc2c(cc(F)cc2Br)[nH]1)c1ccc(Br)cc1 ZINC001461497110 1067876307 /nfs/dbraw/zinc/87/63/07/1067876307.db2.gz CFYFQZWWRVZXCM-SFHVURJKSA-N 0 1 456.153 4.829 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N[C@@H]1CCC3(C[C@@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542560 1067885200 /nfs/dbraw/zinc/88/52/00/1067885200.db2.gz VXTVRZGZFQIPHF-IPMKNSEASA-N 0 1 450.551 4.859 20 0 JJADMN COc1ccc(Br)cc1C1(NCc2cccc(I)c2)CC1 ZINC001461593768 1067896465 /nfs/dbraw/zinc/89/64/65/1067896465.db2.gz VPLRYKLYIOMAMZ-UHFFFAOYSA-N 0 1 458.137 4.841 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)CCCOc2ccccc2Br)CCN1Cc1ccccc1 ZINC001461597295 1067897558 /nfs/dbraw/zinc/89/75/58/1067897558.db2.gz JBEJHVSWQKAFBT-QFIPXVFZSA-N 0 1 459.428 4.977 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001461710701 1067923153 /nfs/dbraw/zinc/92/31/53/1067923153.db2.gz OMLOBYZUZLBFDI-HXUWFJFHSA-N 0 1 459.775 4.640 20 0 JJADMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001461709716 1067923187 /nfs/dbraw/zinc/92/31/87/1067923187.db2.gz AMLLDBGOVAZTGO-HHHXNRCGSA-N 0 1 455.602 4.702 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001461711971 1067923255 /nfs/dbraw/zinc/92/32/55/1067923255.db2.gz IXPJIWSPZXRFLT-DYESRHJHSA-N 0 1 450.549 4.535 20 0 JJADMN COc1ccc(CCC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc1Br ZINC001461713357 1067923707 /nfs/dbraw/zinc/92/37/07/1067923707.db2.gz LXOPWTJTMBAOMB-JOCHJYFZSA-N 0 1 459.428 4.759 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@]2(NCc3nc(-c4cccc(Br)c4)c[nH]3)CCC[C@@H]12 ZINC001461836241 1067944113 /nfs/dbraw/zinc/94/41/13/1067944113.db2.gz LUGNEMUJXDBQAM-GCJKJVERSA-N 0 1 461.404 4.861 20 0 JJADMN CN(C)c1c(CN2CCC(C(=O)Nc3ccccc3Br)CC2)ccc(F)c1F ZINC001461851941 1067947148 /nfs/dbraw/zinc/94/71/48/1067947148.db2.gz JVUXUSJUVPIJOR-UHFFFAOYSA-N 0 1 452.343 4.644 20 0 JJADMN CCOc1ccc(Br)cc1CN(Cc1ncc(Br)cc1O)C1CC1 ZINC001461949932 1067967482 /nfs/dbraw/zinc/96/74/82/1067967482.db2.gz QHFMPICZBOWAEE-UHFFFAOYSA-N 0 1 456.178 4.876 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H](CC(F)F)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001462009048 1067979674 /nfs/dbraw/zinc/97/96/74/1067979674.db2.gz TZQZLLIQCWJEAT-QFIPXVFZSA-N 0 1 459.581 4.942 20 0 JJADMN COc1cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)sc1Br ZINC001462047904 1067990027 /nfs/dbraw/zinc/99/00/27/1067990027.db2.gz FLYCTZOAQRYNEV-GFCCVEGCSA-N 0 1 452.201 4.859 20 0 JJADMN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN1CCC(CC(=O)N(C)C)CC1 ZINC001462072410 1067996826 /nfs/dbraw/zinc/99/68/26/1067996826.db2.gz JLNAREIUSAYQTQ-UHFFFAOYSA-N 0 1 450.558 4.802 20 0 JJADMN CCOC(=O)[C@](C)(CNCc1cc(Cl)ccc1I)c1ccccc1 ZINC001462097054 1068001441 /nfs/dbraw/zinc/00/14/41/1068001441.db2.gz SCNYIBJPOLMDJZ-LJQANCHMSA-N 0 1 457.739 4.555 20 0 JJADMN COCCc1ccc(OC[C@@H](C)NCc2cc(Br)ccc2Br)cc1 ZINC001462107836 1068005254 /nfs/dbraw/zinc/00/52/54/1068005254.db2.gz ATFZMZFLZNOARQ-CQSZACIVSA-N 0 1 457.206 4.958 20 0 JJADMN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC001462337403 1068053867 /nfs/dbraw/zinc/05/38/67/1068053867.db2.gz BZJHWXOLBNAXIC-PMACEKPBSA-N 0 1 453.421 4.733 20 0 JJADMN C[C@H]1CN(c2ccccc2CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001462340895 1068054396 /nfs/dbraw/zinc/05/43/96/1068054396.db2.gz SYDLGQMLEKKGFX-NGYIFUPDSA-N 0 1 469.601 4.544 20 0 JJADMN C[C@@H]1CN(c2ccccc2CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC001462340903 1068054722 /nfs/dbraw/zinc/05/47/22/1068054722.db2.gz SYDLGQMLEKKGFX-WNOPAQSVSA-N 0 1 469.601 4.544 20 0 JJADMN COC(=O)[C@@H]1CN(Cc2ccnc3c(Br)cccc23)C[C@H]1c1ccc(F)cc1F ZINC001462362024 1068060123 /nfs/dbraw/zinc/06/01/23/1068060123.db2.gz PPDSGUNJOZWHFD-ZWKOTPCHSA-N 0 1 461.306 4.664 20 0 JJADMN Cc1c(Br)cc(CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1Br ZINC001462467397 1068080460 /nfs/dbraw/zinc/08/04/60/1068080460.db2.gz PQHHIAIBDWRPJT-SFHVURJKSA-N 0 1 454.206 4.909 20 0 JJADMN COC(=O)c1ccc(CNC2(CNC(=O)OC(C)(C)C)CCCCC2)c(Br)c1 ZINC001462482776 1068082446 /nfs/dbraw/zinc/08/24/46/1068082446.db2.gz XIMLDCSQNPRLRZ-UHFFFAOYSA-N 0 1 455.393 4.553 20 0 JJADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538849 1068094523 /nfs/dbraw/zinc/09/45/23/1068094523.db2.gz ZQHQCHNENIWWKR-OPAMFIHVSA-N 0 1 451.355 4.593 20 0 JJADMN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccnc3c(Br)cccc23)C1 ZINC001462634849 1068119526 /nfs/dbraw/zinc/11/95/26/1068119526.db2.gz TXNAHHRZHWUKIW-KRWDZBQOSA-N 0 1 454.368 4.857 20 0 JJADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC(c2cc(C)cc(C)c2)CC1 ZINC001462639920 1068121492 /nfs/dbraw/zinc/12/14/92/1068121492.db2.gz YMFVIEYVOGKAES-GOSISDBHSA-N 0 1 459.428 4.959 20 0 JJADMN COc1ccc(-c2ccccc2C)cc1CN1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1 ZINC001462671122 1068127835 /nfs/dbraw/zinc/12/78/35/1068127835.db2.gz DUXSNRJYDQDNTN-QHCPKHFHSA-N 0 1 454.611 4.864 20 0 JJADMN COc1ccc(Oc2ccc(CN3CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC001462676107 1068128546 /nfs/dbraw/zinc/12/85/46/1068128546.db2.gz VVSJVLAMXMZPQF-NRFANRHFSA-N 0 1 456.583 4.681 20 0 JJADMN Cc1ccc(C2(C(=O)N[C@H]3CCCN4CCSC[C@H]34)CCCCC2)c(Br)c1 ZINC001462749612 1068154482 /nfs/dbraw/zinc/15/44/82/1068154482.db2.gz QFWDDFFPAKRQJD-VQTJNVASSA-N 0 1 451.474 4.655 20 0 JJADMN O=S(=O)(NCCc1ccc(OCc2ccccc2)cc1)c1cc(C(F)(F)F)ccc1O ZINC001462852590 1068191111 /nfs/dbraw/zinc/19/11/11/1068191111.db2.gz KPAUIZYGQIKDEG-UHFFFAOYSA-N 0 1 451.466 4.511 20 0 JJADMN Cc1nc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)sc1Br ZINC001462855052 1068192489 /nfs/dbraw/zinc/19/24/89/1068192489.db2.gz SVZBJCRHIKDCQO-OAHLLOKOSA-N 0 1 457.802 4.935 20 0 JJADMN CC1CCN([C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c2ccccc2)CC1 ZINC001462899534 1068208078 /nfs/dbraw/zinc/20/80/78/1068208078.db2.gz XYTNWRXYGLTMIF-GOSISDBHSA-N 0 1 458.958 4.693 20 0 JJADMN CN1CCC[C@H](CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC001463152162 1068304663 /nfs/dbraw/zinc/30/46/63/1068304663.db2.gz BPFAXPNNIZHSIA-SJKOYZFVSA-N 0 1 452.951 4.782 20 0 JJADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001463229738 1068328368 /nfs/dbraw/zinc/32/83/68/1068328368.db2.gz IVAZLPXSTIURKT-XUZZJYLKSA-N 0 1 450.604 4.597 20 0 JJADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC001463253840 1068336101 /nfs/dbraw/zinc/33/61/01/1068336101.db2.gz NBLANXWBUZEOGS-AWEZNQCLSA-N 0 1 450.276 4.699 20 0 JJADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC001463254805 1068336570 /nfs/dbraw/zinc/33/65/70/1068336570.db2.gz NBLANXWBUZEOGS-CQSZACIVSA-N 0 1 450.276 4.699 20 0 JJADMN CCOC(=O)c1cccc2nc(NC(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)[nH]c21 ZINC001463313757 1068352626 /nfs/dbraw/zinc/35/26/26/1068352626.db2.gz LHWQZCNZSJCVIZ-UHFFFAOYSA-N 0 1 451.914 4.507 20 0 JJADMN CCOC(=O)c1cccc2nc(NC(=O)Cc3csc4ccc(Br)cc34)[nH]c21 ZINC001463313786 1068352860 /nfs/dbraw/zinc/35/28/60/1068352860.db2.gz MOQZAGQSIRQTCN-UHFFFAOYSA-N 0 1 458.337 4.898 20 0 JJADMN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC001463337845 1068361053 /nfs/dbraw/zinc/36/10/53/1068361053.db2.gz QQSMTLVGTPJOOF-VIFPVBQESA-N 0 1 451.321 4.542 20 0 JJADMN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)sc1Br ZINC001463405994 1068386610 /nfs/dbraw/zinc/38/66/10/1068386610.db2.gz UAJYCTXINQTWQX-CYBMUJFWSA-N 0 1 454.415 4.572 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)N2CCCC2)c1 ZINC001463554048 1068439422 /nfs/dbraw/zinc/43/94/22/1068439422.db2.gz AYAFEIYRIWUZBN-QFIPXVFZSA-N 0 1 459.377 4.755 20 0 JJADMN CCCN1CCCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001463564929 1068446565 /nfs/dbraw/zinc/44/65/65/1068446565.db2.gz PKHNDBDFUKGEDY-HXUWFJFHSA-N 0 1 450.004 4.652 20 0 JJADMN COc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)N2CCCC2)cc1 ZINC001463570268 1068450446 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20 0 JJADMN C[C@H](NC(=O)c1cccc(I)c1O)C(c1ccccc1)c1ccccc1 ZINC001463811205 1068533319 /nfs/dbraw/zinc/53/33/19/1068533319.db2.gz YVUCIKWDMMCRDM-HNNXBMFYSA-N 0 1 457.311 4.947 20 0 JJADMN CCCN(CCN1CCCCCC1)S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001463822003 1068535629 /nfs/dbraw/zinc/53/56/29/1068535629.db2.gz HPNQPEOYYRFTBV-UHFFFAOYSA-N 0 1 451.858 4.688 20 0 JJADMN CC[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001463826127 1068538332 /nfs/dbraw/zinc/53/83/32/1068538332.db2.gz PJGZVEXNQKAOHG-YKSBVNFPSA-N 0 1 450.023 4.773 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001463836126 1068541725 /nfs/dbraw/zinc/54/17/25/1068541725.db2.gz HFQRUMIQKHNMLW-WMQCIHAUSA-N 0 1 450.023 4.677 20 0 JJADMN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001463839956 1068543801 /nfs/dbraw/zinc/54/38/01/1068543801.db2.gz ZDIMRSGADMPBQX-WMQCIHAUSA-N 0 1 452.039 4.923 20 0 JJADMN 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COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)N1CCCCC1 ZINC001464327337 1068707379 /nfs/dbraw/zinc/70/73/79/1068707379.db2.gz CJQDOYXUNKGBNC-UACNQURRSA-N 0 1 454.567 4.600 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)N1CCCCC1 ZINC001464326740 1068707442 /nfs/dbraw/zinc/70/74/42/1068707442.db2.gz AJWHVMALUILEFJ-QFIPXVFZSA-N 0 1 450.970 4.763 20 0 JJADMN CCCCc1nnc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)s1 ZINC001464398632 1068731913 /nfs/dbraw/zinc/73/19/13/1068731913.db2.gz KFYFDIAZOSFCEC-UHFFFAOYSA-N 0 1 450.973 4.587 20 0 JJADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[nH]1 ZINC001464398498 1068732194 /nfs/dbraw/zinc/73/21/94/1068732194.db2.gz HWQFDXAKVIZSOS-OAHLLOKOSA-N 0 1 458.349 4.894 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ncc(Cc4ccc(F)cc4F)s3)n2)cc1 ZINC001464422984 1068740463 /nfs/dbraw/zinc/74/04/63/1068740463.db2.gz YWTMZHRHQAYSRB-UHFFFAOYSA-N 0 1 457.531 4.836 20 0 JJADMN Cc1nnc(SCC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)[nH]1 ZINC001464435310 1068744494 /nfs/dbraw/zinc/74/44/94/1068744494.db2.gz FYSAJIKPYILOPI-UHFFFAOYSA-N 0 1 450.446 4.507 20 0 JJADMN Cc1n[nH]c(SCC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 ZINC001464435310 1068744498 /nfs/dbraw/zinc/74/44/98/1068744498.db2.gz FYSAJIKPYILOPI-UHFFFAOYSA-N 0 1 450.446 4.507 20 0 JJADMN CCCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC001464454067 1068751831 /nfs/dbraw/zinc/75/18/31/1068751831.db2.gz VXSKTHOBCILFOB-AVRDEDQJSA-N 0 1 450.583 4.763 20 0 JJADMN O=C(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC001464460889 1068755029 /nfs/dbraw/zinc/75/50/29/1068755029.db2.gz NIJDTUOPYLPKIZ-INIZCTEOSA-N 0 1 451.419 4.939 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001464559126 1068781378 /nfs/dbraw/zinc/78/13/78/1068781378.db2.gz JJHPAFISZPLNAC-INIZCTEOSA-N 0 1 455.965 4.502 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3cccc(Br)c3)C3CC3)n2)cc1 ZINC001464593344 1068793799 /nfs/dbraw/zinc/79/37/99/1068793799.db2.gz BPRCOJMEKLMQAI-UHFFFAOYSA-N 0 1 457.397 4.826 20 0 JJADMN Cc1cc(C(=O)CCC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)c(C)s1 ZINC001464634707 1068805718 /nfs/dbraw/zinc/80/57/18/1068805718.db2.gz DYJMIXWDDXQBPD-UHFFFAOYSA-N 0 1 451.430 4.681 20 0 JJADMN COc1ccc(C(=O)CCCCC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC001464640298 1068807866 /nfs/dbraw/zinc/80/78/66/1068807866.db2.gz SZMYXPGBRBIJMX-UHFFFAOYSA-N 0 1 457.328 4.625 20 0 JJADMN C[C@@]1([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464683481 1068823885 /nfs/dbraw/zinc/82/38/85/1068823885.db2.gz BRWYRIMTTSXWGQ-WMZHIEFXSA-N 0 1 476.429 4.725 20 0 JJADMN C[C@@]1([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464683481 1068823895 /nfs/dbraw/zinc/82/38/95/1068823895.db2.gz BRWYRIMTTSXWGQ-WMZHIEFXSA-N 0 1 476.429 4.725 20 0 JJADMN CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCc4ccccc43)CC2)c1CN1CC[C@@H](CO)C1 ZINC001164386819 718813654 /nfs/dbraw/zinc/81/36/54/718813654.db2.gz AQNXJPKFLCUZBJ-JOCHJYFZSA-N 0 1 490.692 4.755 20 0 JJADMN CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCc4ccccc43)CC2)c1CN1CC[C@H](CO)C1 ZINC001164386820 718813776 /nfs/dbraw/zinc/81/37/76/718813776.db2.gz AQNXJPKFLCUZBJ-QFIPXVFZSA-N 0 1 490.692 4.755 20 0 JJADMN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164664097 719347332 /nfs/dbraw/zinc/34/73/32/719347332.db2.gz QWIKPHKOHOOOCW-UHFFFAOYSA-N 0 1 453.590 4.938 20 0 JJADMN Cc1nc(CN2CCCC23CCN(c2ncc(NC(=O)OC(C)(C)C)c4nc[nH]c42)CC3)cs1 ZINC001164692213 719812639 /nfs/dbraw/zinc/81/26/39/719812639.db2.gz OHFDTRHEJNQULG-UHFFFAOYSA-N 0 1 483.642 4.705 20 0 JJADMN CCc1nc2sc3c(c2c(N2CCC4(CC2)CN(Cc2cccs2)CCO4)n1)CCC3 ZINC001164698366 719897805 /nfs/dbraw/zinc/89/78/05/719897805.db2.gz SATIMHYZONDJAT-UHFFFAOYSA-N 0 1 454.665 4.675 20 0 JJADMN Clc1ncc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c(Oc2ccccc2)n1 ZINC001164705876 719906168 /nfs/dbraw/zinc/90/61/68/719906168.db2.gz DYZOWRWFKVIZBW-UHFFFAOYSA-N 0 1 456.999 4.855 20 0 JJADMN Cc1ccc2nc(-c3ccccc3F)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1 ZINC001164729555 720569174 /nfs/dbraw/zinc/56/91/74/720569174.db2.gz QTPRPCHZDABMFB-UHFFFAOYSA-N 0 1 456.569 4.599 20 0 JJADMN Cc1sc2nc(-c3cccs3)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1C ZINC001164736889 720580393 /nfs/dbraw/zinc/58/03/93/720580393.db2.gz VHUOUFNXRACVJT-UHFFFAOYSA-N 0 1 464.664 4.892 20 0 JJADMN c1csc(-c2nc(-c3ccccc3)cc(N3CCc4ncc(CN5CCCC5)n4CC3)n2)c1 ZINC001164736281 720585253 /nfs/dbraw/zinc/58/52/53/720585253.db2.gz GNWFDHBXZNMOAS-UHFFFAOYSA-N 0 1 456.619 4.727 20 0 JJADMN Cc1cccc(-c2cc(C(F)(F)N3CCc4ncc(CN5CCCC5)n4CC3)c(Cl)nn2)c1 ZINC001164738059 720596880 /nfs/dbraw/zinc/59/68/80/720596880.db2.gz AAZGRGPOLJFKDX-UHFFFAOYSA-N 0 1 472.971 4.505 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@@H]2C ZINC001164864220 721004402 /nfs/dbraw/zinc/00/44/02/721004402.db2.gz ZVBHCCXEXOOUEN-MRXNPFEDSA-N 0 1 460.960 4.960 20 0 JJADMN COc1ccc(-c2cc(C(F)(F)N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c(Cl)nn2)cc1 ZINC001164861723 721022954 /nfs/dbraw/zinc/02/29/54/721022954.db2.gz PHJORZOFHMHDMY-INIZCTEOSA-N 0 1 490.986 4.968 20 0 JJADMN CCn1nnc2c1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@H]2COCc1ccccc1 ZINC001164774595 721047975 /nfs/dbraw/zinc/04/79/75/721047975.db2.gz XACFQMWYGQTBKF-NDEPHWFRSA-N 0 1 494.643 4.572 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164770599 721116254 /nfs/dbraw/zinc/11/62/54/721116254.db2.gz RELBOINYQSDZQA-JKSUJKDBSA-N 0 1 466.363 4.778 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164770597 721117056 /nfs/dbraw/zinc/11/70/56/721117056.db2.gz RELBOINYQSDZQA-HOTGVXAUSA-N 0 1 466.363 4.778 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@@H]3C2)cn1 ZINC001164772789 721133907 /nfs/dbraw/zinc/13/39/07/721133907.db2.gz WXWGCZJSDGVWNQ-ZEQRLZLVSA-N 0 1 486.023 4.551 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3C2)cn1 ZINC001164773849 721224464 /nfs/dbraw/zinc/22/44/64/721224464.db2.gz XJUQZDLGACZVMD-RTBURBONSA-N 0 1 475.946 4.778 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4sc(C(C)C)cc43)C2)C1 ZINC001164778674 721331761 /nfs/dbraw/zinc/33/17/61/721331761.db2.gz YBJFDZMBZAQHDM-DEOSSOPVSA-N 0 1 455.628 4.539 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786089 721365799 /nfs/dbraw/zinc/36/57/99/721365799.db2.gz WDFRHOSHNVKBJT-HHHXNRCGSA-N 0 1 469.674 4.795 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164786169 721369804 /nfs/dbraw/zinc/36/98/04/721369804.db2.gz WRXAVIIOIONADU-AREMUKBSSA-N 0 1 455.647 4.621 20 0 JJADMN COc1cc2cnc(Cl)cc2cc1N1CCC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164786179 721377117 /nfs/dbraw/zinc/37/71/17/721377117.db2.gz UFIJEKJPCAANQM-VWLOTQADSA-N 0 1 471.001 4.621 20 0 JJADMN c1ccc(CN2CCc3nc(N4CCO[C@@]5(CCC[C@H]5COCc5ccncc5)C4)ccc3C2)cc1 ZINC001164780356 721383766 /nfs/dbraw/zinc/38/37/66/721383766.db2.gz GKNHROBAIZHETE-FIBWVYCGSA-N 0 1 484.644 4.627 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164886793 721398201 /nfs/dbraw/zinc/39/82/01/721398201.db2.gz GIBPXZDIGQBJBJ-YZNIXAGQSA-N 0 1 483.660 4.576 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5nc(Cl)cc(Cl)c5c4)C3)O2)CC1 ZINC001164887685 721404667 /nfs/dbraw/zinc/40/46/67/721404667.db2.gz MEYSSLWXWJUMNR-WZONZLPQSA-N 0 1 499.433 4.852 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164887238 721419864 /nfs/dbraw/zinc/41/98/64/721419864.db2.gz LPYPIHVUCSJMCO-FIPFOOKPSA-N 0 1 492.067 4.716 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898359 721433460 /nfs/dbraw/zinc/43/34/60/721433460.db2.gz VUHVOYDOSRINJE-FIPFOOKPSA-N 0 1 492.067 4.716 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C3)O2)CC1 ZINC001164896850 721434637 /nfs/dbraw/zinc/43/46/37/721434637.db2.gz SFYZLHSYWGXBAA-QFQXNSOFSA-N 0 1 498.096 4.777 20 0 JJADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CCN3C2)c1 ZINC001164910226 721562048 /nfs/dbraw/zinc/56/20/48/721562048.db2.gz WBHRVMZMWQTPHQ-FPOVZHCZSA-N 0 1 474.914 4.823 20 0 JJADMN Cc1nc(-c2ccccc2Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C ZINC001164811500 721585060 /nfs/dbraw/zinc/58/50/60/721585060.db2.gz XUBIPKIWRIHLOX-TZRRMPRUSA-N 0 1 464.013 4.677 20 0 JJADMN CSc1nc(Cl)cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908010 721586060 /nfs/dbraw/zinc/58/60/60/721586060.db2.gz XZFGYFFIBCRTGL-SFHVURJKSA-N 0 1 475.943 4.530 20 0 JJADMN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905519 721691698 /nfs/dbraw/zinc/69/16/98/721691698.db2.gz JQUGVMJGIUNNCQ-OAQYLSRUSA-N 0 1 479.909 4.961 20 0 JJADMN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908691 721704970 /nfs/dbraw/zinc/70/49/70/721704970.db2.gz YNZGWWRQWQLQCG-HXUWFJFHSA-N 0 1 467.898 4.894 20 0 JJADMN Fc1ccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164908731 721713088 /nfs/dbraw/zinc/71/30/88/721713088.db2.gz YUVNSYJWGVSDOM-JOCHJYFZSA-N 0 1 490.917 4.589 20 0 JJADMN FC1(F)CCN(c2ccc(-c3ccccc3Cl)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904369 721714439 /nfs/dbraw/zinc/71/44/39/721714439.db2.gz CKHYXSVJGOPIAY-QHCPKHFHSA-N 0 1 455.940 4.930 20 0 JJADMN CCOC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906771 721714961 /nfs/dbraw/zinc/71/49/61/721714961.db2.gz OAHMKWOWKQTIIM-RUZDIDTESA-N 0 1 466.532 4.544 20 0 JJADMN Fc1cccc(Oc2cncc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)c1 ZINC001164904910 721716309 /nfs/dbraw/zinc/71/63/09/721716309.db2.gz FLDJYOSHOGOLKX-QHCPKHFHSA-N 0 1 455.484 4.541 20 0 JJADMN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905627 721721061 /nfs/dbraw/zinc/72/10/61/721721061.db2.gz IBXYNJYIKHWXPI-SFHVURJKSA-N 0 1 478.321 4.547 20 0 JJADMN COc1ccc(Oc2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc(C)n2)cc1 ZINC001164913382 721733493 /nfs/dbraw/zinc/73/34/93/721733493.db2.gz UWTQYULBHYYTLC-RUZDIDTESA-N 0 1 481.547 4.719 20 0 JJADMN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913541 721735386 /nfs/dbraw/zinc/73/53/86/721735386.db2.gz WXJAIDBMRRLGIP-GOSISDBHSA-N 0 1 479.305 4.946 20 0 JJADMN FC(F)(N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164913724 721738176 /nfs/dbraw/zinc/73/81/76/721738176.db2.gz XBDXNTGSXQEZMH-HXUWFJFHSA-N 0 1 468.926 4.988 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc(Oc3cccc(F)c3)n2)CC1 ZINC001165023110 721842211 /nfs/dbraw/zinc/84/22/11/721842211.db2.gz XNHPLRBXGSKXGP-UHFFFAOYSA-N 0 1 487.963 4.574 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C(F)F)nc3ccc(F)cc32)CC1 ZINC001165031145 721844929 /nfs/dbraw/zinc/84/49/29/721844929.db2.gz VCMXFPMDLZNGFM-UHFFFAOYSA-N 0 1 460.500 4.825 20 0 JJADMN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]21 ZINC001164954376 722003942 /nfs/dbraw/zinc/00/39/42/722003942.db2.gz WVDUHVHOBWLPQE-LOSJGSFVSA-N 0 1 461.613 4.817 20 0 JJADMN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)C3)n1 ZINC001164959054 722026325 /nfs/dbraw/zinc/02/63/25/722026325.db2.gz HQFXISUUOSVPDQ-IGYGKHONSA-N 0 1 498.671 4.936 20 0 JJADMN Clc1cc(C2CCCCC2)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164966347 722061871 /nfs/dbraw/zinc/06/18/71/722061871.db2.gz RHLOOQYNRJDFKG-UHFFFAOYSA-N 0 1 456.034 4.692 20 0 JJADMN c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164971370 722108200 /nfs/dbraw/zinc/10/82/00/722108200.db2.gz BMKOARPYFJUVBA-GGXMVOPNSA-N 0 1 477.612 4.933 20 0 JJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4c2ncn4[C@@H]2CCCCO2)C3)c1 ZINC001164993933 722199312 /nfs/dbraw/zinc/19/93/12/722199312.db2.gz JMHDHNNXUOJGKE-CYFREDJKSA-N 0 1 470.980 4.563 20 0 JJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164993783 722204088 /nfs/dbraw/zinc/20/40/88/722204088.db2.gz BHQATISWSJQSAM-HSZRJFAPSA-N 0 1 457.912 4.840 20 0 JJADMN Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)CC3)cs1 ZINC001165006797 722272469 /nfs/dbraw/zinc/27/24/69/722272469.db2.gz QWPLEHRVAHPZMC-RUZDIDTESA-N 0 1 490.673 4.750 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001545868090 1064278768 /nfs/dbraw/zinc/27/87/68/1064278768.db2.gz LRCFJKDSUUZMMQ-XXBNENTESA-N 0 1 484.664 4.655 20 0 JJADMN CC(C)[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2CCCCN2CCOCC2)C1 ZINC001359730096 1064281052 /nfs/dbraw/zinc/28/10/52/1064281052.db2.gz NMJDARKRJSFZQS-FQEVSTJZSA-N 0 1 490.490 4.692 20 0 JJADMN CC(C)[C@H]1CCCN1c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)N(C)C ZINC001359737793 1064299301 /nfs/dbraw/zinc/29/93/01/1064299301.db2.gz GPGPJENFYQZNQO-NHCUHLMSSA-N 0 1 457.619 4.985 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C1 ZINC001545884534 1064301037 /nfs/dbraw/zinc/30/10/37/1064301037.db2.gz XBHMKWGWQQWHJD-KFHAODIQSA-N 0 1 474.430 4.849 20 0 JJADMN CC(C)[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001359749357 1064336989 /nfs/dbraw/zinc/33/69/89/1064336989.db2.gz PFQKWDDSXREWQA-VXKWHMMOSA-N 0 1 471.074 4.874 20 0 JJADMN CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001359749356 1064337270 /nfs/dbraw/zinc/33/72/70/1064337270.db2.gz PFQKWDDSXREWQA-FGZHOGPDSA-N 0 1 471.074 4.874 20 0 JJADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc2[nH]c(=O)n(CC(C)(C)C)c21 ZINC001434917558 1064345105 /nfs/dbraw/zinc/34/51/05/1064345105.db2.gz BFBXLMDTDSTJSS-UHFFFAOYSA-N 0 1 452.624 4.898 20 0 JJADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C ZINC001434919184 1064346485 /nfs/dbraw/zinc/34/64/85/1064346485.db2.gz MFNSYSZTJOJQBL-MRXNPFEDSA-N 0 1 453.530 4.829 20 0 JJADMN COc1ccc(-c2n[nH]c(NC(=O)c3cccnc3SCC3CCCCC3)n2)c(OC)c1 ZINC001434948137 1064368796 /nfs/dbraw/zinc/36/87/96/1064368796.db2.gz QQCXPRROSVOPAF-UHFFFAOYSA-N 0 1 453.568 4.809 20 0 JJADMN C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434975921 1064391391 /nfs/dbraw/zinc/39/13/91/1064391391.db2.gz CUYJPSASZHGERH-HNNXBMFYSA-N 0 1 458.990 4.845 20 0 JJADMN Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001434979264 1064395418 /nfs/dbraw/zinc/39/54/18/1064395418.db2.gz LXVNDAUBNQPGPW-QGZVFWFLSA-N 0 1 452.599 4.809 20 0 JJADMN CCCOc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1OCCC ZINC001434980567 1064397395 /nfs/dbraw/zinc/39/73/95/1064397395.db2.gz WIWRDQQXLMPUCR-IBGZPJMESA-N 0 1 457.590 4.646 20 0 JJADMN CC(C)Cc1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001359792745 1064450050 /nfs/dbraw/zinc/45/00/50/1064450050.db2.gz PBRFBVFCAHUICZ-GRSYGWAWSA-N 0 1 453.675 4.747 20 0 JJADMN CC(C)Cc1nnc(N2CC[C@H](c3ccccc3)[C@@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001359802884 1064471384 /nfs/dbraw/zinc/47/13/84/1064471384.db2.gz XLKVKTIIQJZMJM-KHUIQGCPSA-N 0 1 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4.683 20 0 JJADMN CC1(C)C[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001360801876 1065913256 /nfs/dbraw/zinc/91/32/56/1065913256.db2.gz QWJYVGXWCIQYSV-SFHVURJKSA-N 0 1 485.982 4.736 20 0 JJADMN Cc1ccc(OCCCC(=O)Nc2ccc(N3CCN(C)CC3)c3ccncc23)c(Cl)c1 ZINC001440139098 1065914863 /nfs/dbraw/zinc/91/48/63/1065914863.db2.gz DGTZNZXIHXUZIC-UHFFFAOYSA-N 0 1 452.986 4.746 20 0 JJADMN Cc1sc(Br)c(C(=O)Nc2ccc(N3CCN(C)CC3)c3ccncc23)c1C ZINC001440140719 1065915382 /nfs/dbraw/zinc/91/53/82/1065915382.db2.gz MDSDEEXVSZLENK-UHFFFAOYSA-N 0 1 459.413 4.680 20 0 JJADMN CC(C)(C)C1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC(C)(C)C2)CC1 ZINC001360809030 1065923073 /nfs/dbraw/zinc/92/30/73/1065923073.db2.gz ZNPUUINSVBKUJN-UHFFFAOYSA-N 0 1 499.725 4.653 20 0 JJADMN COc1cccc([C@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)N2CCCC2)c1 ZINC001440366419 1065933078 /nfs/dbraw/zinc/93/30/78/1065933078.db2.gz BQUJTQJEKISUNH-IBGZPJMESA-N 0 1 457.785 4.988 20 0 JJADMN COc1cccc([C@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)N2CCCC2)c1 ZINC001440383272 1065935506 /nfs/dbraw/zinc/93/55/06/1065935506.db2.gz ZFKBRAZHCAFVPM-NRFANRHFSA-N 0 1 450.476 4.838 20 0 JJADMN Cc1nc2cccc(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4cccc(Cl)c4)c3)c2[nH]1 ZINC001440382864 1065935621 /nfs/dbraw/zinc/93/56/21/1065935621.db2.gz HILHHQXWJJHVCJ-UHFFFAOYSA-N 0 1 454.939 4.886 20 0 JJADMN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440384571 1065936285 /nfs/dbraw/zinc/93/62/85/1065936285.db2.gz KBCUKYQULLNIMO-OXQOHEQNSA-N 0 1 450.004 4.508 20 0 JJADMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc4nc(C(F)F)[nH]c43)cc2)cc1 ZINC001440522081 1065947294 /nfs/dbraw/zinc/94/72/94/1065947294.db2.gz WWEGSKQHSCOMAW-UHFFFAOYSA-N 0 1 456.474 4.862 20 0 JJADMN COc1ccc([C@H](CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)N2CCCCC2)cc1 ZINC001440556458 1065948886 /nfs/dbraw/zinc/94/88/86/1065948886.db2.gz AIBDZGAOMUASLY-VWLOTQADSA-N 0 1 454.586 4.517 20 0 JJADMN Cc1sc(C)c(Cn2c(C)nnc2N2CCN(Cc3ccccc3)C[C@@H]2C)c1Br ZINC001360849657 1065959876 /nfs/dbraw/zinc/95/98/76/1065959876.db2.gz WEUHHYJFZFQXQM-HNNXBMFYSA-N 0 1 474.472 4.786 20 0 JJADMN CN(C)[C@@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)c1cccc(F)c1 ZINC001440673723 1065961649 /nfs/dbraw/zinc/96/16/49/1065961649.db2.gz IFSABSYQOUMWEO-JPYJTQIMSA-N 0 1 455.574 4.864 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1cccc(F)c1 ZINC001440670626 1065961849 /nfs/dbraw/zinc/96/18/49/1065961849.db2.gz CCRRGZNXAHLFMU-FQEVSTJZSA-N 0 1 458.331 4.808 20 0 JJADMN CN(C)[C@H](CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1cccc(F)c1 ZINC001440675835 1065962268 /nfs/dbraw/zinc/96/22/68/1065962268.db2.gz NJNOTJZCWHUBJG-HSZRJFAPSA-N 0 1 454.929 4.508 20 0 JJADMN COc1cccc([C@@H](CNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)N(C)C)c1 ZINC001440674857 1065962346 /nfs/dbraw/zinc/96/23/46/1065962346.db2.gz LIWLTBGVOBNYLS-HXUWFJFHSA-N 0 1 457.983 4.695 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2ccsc2NC(=O)c2ccccc2Cl)N(C)C)c1 ZINC001440674851 1065962483 /nfs/dbraw/zinc/96/24/83/1065962483.db2.gz LIWLTBGVOBNYLS-FQEVSTJZSA-N 0 1 457.983 4.695 20 0 JJADMN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001440683238 1065965845 /nfs/dbraw/zinc/96/58/45/1065965845.db2.gz XXICMAGDKLCJEA-UWJYYQICSA-N 0 1 452.039 4.750 20 0 JJADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001440731110 1065971320 /nfs/dbraw/zinc/97/13/20/1065971320.db2.gz AXBMZCRIYIKGDV-IFXJQAMLSA-N 0 1 456.940 4.772 20 0 JJADMN O=C(COc1ccc2ccccc2c1Br)N1CCCN(Cc2ccccc2)CC1 ZINC001440727839 1065971436 /nfs/dbraw/zinc/97/14/36/1065971436.db2.gz OHZSCRUPNOHZIE-UHFFFAOYSA-N 0 1 453.380 4.716 20 0 JJADMN CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001440742560 1065975111 /nfs/dbraw/zinc/97/51/11/1065975111.db2.gz RTSIGMQZAWQSQV-TYPHKJRUSA-N 0 1 450.023 4.629 20 0 JJADMN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440746497 1065975380 /nfs/dbraw/zinc/97/53/80/1065975380.db2.gz LBMUCNNNFJNHSJ-WOJBJXKFSA-N 0 1 451.558 4.507 20 0 JJADMN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001440746476 1065975428 /nfs/dbraw/zinc/97/54/28/1065975428.db2.gz LBMUCNNNFJNHSJ-PMACEKPBSA-N 0 1 451.558 4.507 20 0 JJADMN Cc1ccc(C2(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)CCCCC2)c(Br)c1 ZINC001440830530 1065982614 /nfs/dbraw/zinc/98/26/14/1065982614.db2.gz URTHZVDLGLHSNG-OALUTQOASA-N 0 1 451.449 4.575 20 0 JJADMN Cc1occc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCSCC1 ZINC001360865972 1065986599 /nfs/dbraw/zinc/98/65/99/1065986599.db2.gz KSJDZMIIKREGKJ-NRFANRHFSA-N 0 1 469.655 4.622 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CCCC3)n2CCN2CCSCC2)c1C ZINC001360869904 1066000407 /nfs/dbraw/zinc/00/04/07/1066000407.db2.gz RWMLLYSPBKTQLE-NRFANRHFSA-N 0 1 457.688 4.710 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)C(C)C)c1 ZINC001441174139 1066011719 /nfs/dbraw/zinc/01/17/19/1066011719.db2.gz SAEDYTRITMOZIG-JOCHJYFZSA-N 0 1 452.576 4.666 20 0 JJADMN Cc1ccccc1CN1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC001441185461 1066013209 /nfs/dbraw/zinc/01/32/09/1066013209.db2.gz ITUUTHNDOXFAHE-UHFFFAOYSA-N 0 1 453.011 4.938 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCCC[C@@H](C)C3)n2CCN2CCSCC2)c1C ZINC001360874722 1066015054 /nfs/dbraw/zinc/01/50/54/1066015054.db2.gz OBNLLNVUHVMRBN-KNQAVFIVSA-N 0 1 457.688 4.710 20 0 JJADMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001441217131 1066016249 /nfs/dbraw/zinc/01/62/49/1066016249.db2.gz DWRGOZIJEHJSQT-HXUWFJFHSA-N 0 1 455.027 4.707 20 0 JJADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1Br ZINC001441232323 1066017509 /nfs/dbraw/zinc/01/75/09/1066017509.db2.gz UXTVZMWXOAWETA-HNNXBMFYSA-N 0 1 457.290 4.742 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2C[C@H]2CN(CC(C)C)CCO2)c1C ZINC001360875782 1066019509 /nfs/dbraw/zinc/01/95/09/1066019509.db2.gz YWOGDSNSHGGAHB-BJKOFHAPSA-N 0 1 469.674 4.772 20 0 JJADMN CC[C@@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)N1CCc2ccccc2C1 ZINC001441247073 1066020171 /nfs/dbraw/zinc/02/01/71/1066020171.db2.gz YOENYGYYNWDQHX-FQEVSTJZSA-N 0 1 454.368 4.671 20 0 JJADMN CCCOc1ccc(-c2nc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cs2)cc1 ZINC001441294848 1066023403 /nfs/dbraw/zinc/02/34/03/1066023403.db2.gz MDSJLDSEMUVZTC-UHFFFAOYSA-N 0 1 450.608 4.599 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2C[C@H](c2ccsc2)N(C)C)c1C ZINC001360877906 1066024377 /nfs/dbraw/zinc/02/43/77/1066024377.db2.gz PSHSHKCRAIKGOS-IFMALSPDSA-N 0 1 469.655 4.626 20 0 JJADMN Cc1cc(C)c(OCC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c(C)c1 ZINC001441314559 1066026039 /nfs/dbraw/zinc/02/60/39/1066026039.db2.gz PWVXSYVRLQGLKJ-UHFFFAOYSA-N 0 1 457.618 4.629 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc(OCc4ccccc4)cs3)cc2)C[C@@H](C)O1 ZINC001441317372 1066026685 /nfs/dbraw/zinc/02/66/85/1066026685.db2.gz GCTXAYQUDAFWBV-WOJBJXKFSA-N 0 1 450.604 4.866 20 0 JJADMN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)C3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360879497 1066030815 /nfs/dbraw/zinc/03/08/15/1066030815.db2.gz LSGHPGVNLXJXHJ-FUPPJEDESA-N 0 1 499.700 4.538 20 0 JJADMN CCN(CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CC1 ZINC001441459590 1066042517 /nfs/dbraw/zinc/04/25/17/1066042517.db2.gz AXDOGKZJDUWWAE-HXUWFJFHSA-N 0 1 452.451 4.755 20 0 JJADMN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001441547055 1066049793 /nfs/dbraw/zinc/04/97/93/1066049793.db2.gz JRICRAIJCHRIBA-GFCCVEGCSA-N 0 1 454.545 4.946 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H](c1ccsc1)N(C)C ZINC001545943196 1066054265 /nfs/dbraw/zinc/05/42/65/1066054265.db2.gz WLASEFWXIBOYGA-ZLNRFVROSA-N 0 1 498.672 4.503 20 0 JJADMN C[C@@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001441641289 1066057111 /nfs/dbraw/zinc/05/71/11/1066057111.db2.gz IPEDPENVIAQHDU-ZDUSSCGKSA-N 0 1 450.969 4.741 20 0 JJADMN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]cc1C(F)(F)F)Nc1ccccc1F ZINC001441700908 1066062538 /nfs/dbraw/zinc/06/25/38/1066062538.db2.gz FKANFUKIEMKZJI-UHFFFAOYSA-N 0 1 454.811 4.502 20 0 JJADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)n2)cc1 ZINC001441750393 1066067712 /nfs/dbraw/zinc/06/77/12/1066067712.db2.gz OXBOHTWJJHSPNZ-UHFFFAOYSA-N 0 1 457.531 4.836 20 0 JJADMN O=C(NC1CCN(Cc2ccncc2)CC1)C1(c2cccc(Br)c2)CCCCC1 ZINC001441812859 1066071950 /nfs/dbraw/zinc/07/19/50/1066071950.db2.gz FKJHHLZNVUPDJZ-UHFFFAOYSA-N 0 1 456.428 4.827 20 0 JJADMN Cc1cc(OC(C)C)ccc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001441819583 1066073691 /nfs/dbraw/zinc/07/36/91/1066073691.db2.gz QTDGGZRZUHCFFQ-QHCPKHFHSA-N 0 1 455.599 4.746 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC)N1CCCCC1 ZINC001441878707 1066076115 /nfs/dbraw/zinc/07/61/15/1066076115.db2.gz BYFKUYVYUWPFAG-IBGZPJMESA-N 0 1 456.656 4.770 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCCCC1 ZINC001441893186 1066079686 /nfs/dbraw/zinc/07/96/86/1066079686.db2.gz ZFRHOFQYVIOJFC-BHDDXSALSA-N 0 1 457.412 4.905 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC001360928366 1066084205 /nfs/dbraw/zinc/08/42/05/1066084205.db2.gz FVVLDABCZFHACB-SVBPBHIXSA-N 0 1 455.602 4.843 20 0 JJADMN CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(I)cc1O ZINC001442252617 1066108458 /nfs/dbraw/zinc/10/84/58/1066108458.db2.gz PKWJUAOVCLHMLJ-UHFFFAOYSA-N 0 1 458.299 4.886 20 0 JJADMN CC(C)(CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)N1CCc2ccccc2C1 ZINC001442334828 1066117646 /nfs/dbraw/zinc/11/76/46/1066117646.db2.gz XMIIFAKISDJMDX-UHFFFAOYSA-N 0 1 459.281 4.572 20 0 JJADMN O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC001442353920 1066119810 /nfs/dbraw/zinc/11/98/10/1066119810.db2.gz JDPDNWZWKRZPHP-UHFFFAOYSA-N 0 1 455.337 4.820 20 0 JJADMN O=C(Nc1ccc2nc[nH]c2c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F ZINC001442357204 1066119885 /nfs/dbraw/zinc/11/98/85/1066119885.db2.gz SAXJMLYVOXAQFH-UHFFFAOYSA-N 0 1 456.762 4.703 20 0 JJADMN O=C(c1cccnc1Oc1ccc(Br)cc1)N1CCN(CC2CCCCC2)CC1 ZINC001442476354 1066130425 /nfs/dbraw/zinc/13/04/25/1066130425.db2.gz VJVNRAYBDCIDGD-UHFFFAOYSA-N 0 1 458.400 4.975 20 0 JJADMN CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC001442549467 1066135796 /nfs/dbraw/zinc/13/57/96/1066135796.db2.gz KWSKHZQQZWUSES-UHFFFAOYSA-N 0 1 455.624 4.555 20 0 JJADMN Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC001442548480 1066135816 /nfs/dbraw/zinc/13/58/16/1066135816.db2.gz ADDQALIBRWGLLH-QFIPXVFZSA-N 0 1 455.624 4.748 20 0 JJADMN Cc1c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)nnn1-c1ccccc1Br ZINC001442606063 1066143997 /nfs/dbraw/zinc/14/39/97/1066143997.db2.gz CQJZFVZDPYFASG-UHFFFAOYSA-N 0 1 453.344 4.764 20 0 JJADMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(NCCN4CCOCC4)c(Cl)c3)cc2[nH]1 ZINC001442619218 1066145749 /nfs/dbraw/zinc/14/57/49/1066145749.db2.gz YYYCUMKSNKTSOD-UHFFFAOYSA-N 0 1 455.990 4.510 20 0 JJADMN C[C@H](Nc1ccc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711006 1066154186 /nfs/dbraw/zinc/15/41/86/1066154186.db2.gz TZLBSGKYQWZWNV-DFBJGRDBSA-N 0 1 459.594 4.829 20 0 JJADMN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC001442715039 1066154806 /nfs/dbraw/zinc/15/48/06/1066154806.db2.gz AVWDVEXSMWKPRM-JTQLQIEISA-N 0 1 455.234 4.659 20 0 JJADMN C[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O)N1CCc2ccccc21 ZINC001442752803 1066156871 /nfs/dbraw/zinc/15/68/71/1066156871.db2.gz WGIMGCJOAAERLF-AWEZNQCLSA-N 0 1 455.967 4.540 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001360992800 1066172522 /nfs/dbraw/zinc/17/25/22/1066172522.db2.gz UWMYRZDGSMMLDH-YPCDYVTLSA-N 0 1 490.092 4.770 20 0 JJADMN Cc1cccc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC001361008709 1066190591 /nfs/dbraw/zinc/19/05/91/1066190591.db2.gz ZZYICFJHXFEFPZ-PKTZIBPZSA-N 0 1 453.675 4.527 20 0 JJADMN C[N@@H+](CCN(Cc1ccccc1)C(=O)C[C@H]1CCC2(CCOCC2)CO1)Cc1ccccc1 ZINC001361013196 1066198178 /nfs/dbraw/zinc/19/81/78/1066198178.db2.gz DIUULPPQZBVNSZ-AREMUKBSSA-N 0 1 450.623 4.513 20 0 JJADMN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc(Br)cc(F)c2O)c1 ZINC001442870613 1066235551 /nfs/dbraw/zinc/23/55/51/1066235551.db2.gz VAEQOWVBUCGEPD-UHFFFAOYSA-N 0 1 458.287 4.868 20 0 JJADMN CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)Cc3ccccc3Oc3ccc(C)cc3)C2)ccn1 ZINC001454018450 1066235997 /nfs/dbraw/zinc/23/59/97/1066235997.db2.gz XGTORBHWAUMIOW-AREMUKBSSA-N 0 1 459.590 4.856 20 0 JJADMN CCOc1ccc([C@@]2(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)CC2(Cl)Cl)cc1 ZINC001442891151 1066237744 /nfs/dbraw/zinc/23/77/44/1066237744.db2.gz XSISSGMPJSGDPW-DENIHFKCSA-N 0 1 451.394 4.755 20 0 JJADMN Cc1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c(C)n1[C@H]1CCCOC1 ZINC001442911215 1066239506 /nfs/dbraw/zinc/23/95/06/1066239506.db2.gz WZFHEFWRDSPZHB-QHCPKHFHSA-N 0 1 452.599 4.523 20 0 JJADMN O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1CCCCN1Cc1ccccc1 ZINC001442932068 1066243286 /nfs/dbraw/zinc/24/32/86/1066243286.db2.gz CEOIHDGEAHXINO-GOSISDBHSA-N 0 1 453.327 4.721 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(OC2CCCC2)nc1 ZINC001442936296 1066243653 /nfs/dbraw/zinc/24/36/53/1066243653.db2.gz FCSRUPGKDXGGTL-UHFFFAOYSA-N 0 1 452.580 4.601 20 0 JJADMN O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)[C@@H]1CCc2[nH]cnc2C1 ZINC001442962603 1066247130 /nfs/dbraw/zinc/24/71/30/1066247130.db2.gz DGFVZBHDPNQZBB-GFCCVEGCSA-N 0 1 451.395 4.920 20 0 JJADMN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C(C)C)n[nH]3)cc2)c(C)c1C ZINC001442968849 1066247727 /nfs/dbraw/zinc/24/77/27/1066247727.db2.gz QQFDIXYJPZPNHR-UHFFFAOYSA-N 0 1 455.584 4.523 20 0 JJADMN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001454222351 1066255463 /nfs/dbraw/zinc/25/54/63/1066255463.db2.gz RJECOCHOAJMZLQ-ORAYPTAESA-N 0 1 458.946 4.668 20 0 JJADMN O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001454261006 1066258877 /nfs/dbraw/zinc/25/88/77/1066258877.db2.gz ORPRDRQECBPLSC-IBGZPJMESA-N 0 1 459.384 4.973 20 0 JJADMN CCC[N@@H+]1Cc2cccc(NC(=O)CCCCCn3c(=O)c4ccccc4[n-]c3=S)c2C1 ZINC001443094444 1066265931 /nfs/dbraw/zinc/26/59/31/1066265931.db2.gz XOOLOORBFCIYBO-UHFFFAOYSA-N 0 1 450.608 4.610 20 0 JJADMN CCC[N@H+]1Cc2cccc(NC(=O)CCCCCn3c(=O)c4ccccc4[n-]c3=S)c2C1 ZINC001443094444 1066265940 /nfs/dbraw/zinc/26/59/40/1066265940.db2.gz XOOLOORBFCIYBO-UHFFFAOYSA-N 0 1 450.608 4.610 20 0 JJADMN Cc1cccc(CN2CC[C@@H](NC(=O)c3cnc(-c4ccccc4Br)s3)C2)c1 ZINC001454310761 1066268732 /nfs/dbraw/zinc/26/87/32/1066268732.db2.gz IOOJOEWDWIYRLA-QGZVFWFLSA-N 0 1 456.409 4.885 20 0 JJADMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC001454396556 1066277828 /nfs/dbraw/zinc/27/78/28/1066277828.db2.gz BSUDSPQPZUDIIJ-JTSKRJEESA-N 0 1 457.496 4.816 20 0 JJADMN Cc1nc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC001454404747 1066279197 /nfs/dbraw/zinc/27/91/97/1066279197.db2.gz MQXHQKIRJKFUEW-YWZLYKJASA-N 0 1 458.393 4.523 20 0 JJADMN COc1cc(Cl)c(Br)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001454407786 1066280204 /nfs/dbraw/zinc/28/02/04/1066280204.db2.gz RQTMLKIBLDVNBU-AUUYWEPGSA-N 0 1 451.792 4.752 20 0 JJADMN Cc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361056072 1066295176 /nfs/dbraw/zinc/29/51/76/1066295176.db2.gz BEDVADRUWSKIKA-WOJBJXKFSA-N 0 1 483.060 4.826 20 0 JJADMN O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001443352362 1066298713 /nfs/dbraw/zinc/29/87/13/1066298713.db2.gz CMRQMZWRSKMMEW-FQEVSTJZSA-N 0 1 459.377 4.669 20 0 JJADMN O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001443352362 1066298725 /nfs/dbraw/zinc/29/87/25/1066298725.db2.gz CMRQMZWRSKMMEW-FQEVSTJZSA-N 0 1 459.377 4.669 20 0 JJADMN CC(C)C[C@H](CC(=O)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)NC(=O)OC(C)(C)C ZINC001443388228 1066304800 /nfs/dbraw/zinc/30/48/00/1066304800.db2.gz RDZAPPDJWAESLT-LJQANCHMSA-N 0 1 457.619 4.817 20 0 JJADMN CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)co1 ZINC001443390332 1066305382 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BGUADMUGVAHBHK-FGZHOGPDSA-N 0 1 450.560 4.562 20 0 JJADMN Cc1sc2ncnc(SCCC(=O)N3CCN(Cc4ccccc4)C(C)(C)C3)c2c1C ZINC001443551105 1066328328 /nfs/dbraw/zinc/32/83/28/1066328328.db2.gz LZKPZUXZVIWHFQ-UHFFFAOYSA-N 0 1 454.665 4.913 20 0 JJADMN CC(C)CN1Cc2cccc(NC(=O)[C@@]3(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C3)c2C1 ZINC001546065157 1066331639 /nfs/dbraw/zinc/33/16/39/1066331639.db2.gz GKGHAEFJTWXCOX-JOCHJYFZSA-N 0 1 455.521 4.786 20 0 JJADMN CC(C)CN1Cc2cccc(NC(=O)c3ccnc(Cl)c3I)c2C1 ZINC001546065167 1066332015 /nfs/dbraw/zinc/33/20/15/1066332015.db2.gz GUIDPBAVLIYHLM-UHFFFAOYSA-N 0 1 455.727 4.564 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N(C)CCc3ccc(Br)cc3)n[nH]2)c1C ZINC001443592337 1066334804 /nfs/dbraw/zinc/33/48/04/1066334804.db2.gz OTEKVLCDUHJUCY-UHFFFAOYSA-N 0 1 458.404 4.767 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCN1CCSCC1 ZINC001361089660 1066337243 /nfs/dbraw/zinc/33/72/43/1066337243.db2.gz ZFVKOYRZRLGPIR-CTNGQTDRSA-N 0 1 492.133 4.783 20 0 JJADMN Cc1cccc(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001361099778 1066349804 /nfs/dbraw/zinc/34/98/04/1066349804.db2.gz LDPBYPNYFDXLQO-QZTJIDSGSA-N 0 1 487.446 4.611 20 0 JJADMN COC(=O)CCc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)c1 ZINC001455228793 1066373302 /nfs/dbraw/zinc/37/33/02/1066373302.db2.gz YGMYENLKKDKAIF-UHFFFAOYSA-N 0 1 458.923 4.717 20 0 JJADMN Cc1ccc([C@H]2CCN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)C2(C)C)cc1 ZINC001455287925 1066380973 /nfs/dbraw/zinc/38/09/73/1066380973.db2.gz ZRSMBDYGJLRUGX-WOJBJXKFSA-N 0 1 452.599 4.851 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001361131185 1066398485 /nfs/dbraw/zinc/39/84/85/1066398485.db2.gz BAPUPWMBHCPNDU-NZQKXSOJSA-N 0 1 483.682 4.878 20 0 JJADMN CC(C)c1ccc(C(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001455542022 1066407891 /nfs/dbraw/zinc/40/78/91/1066407891.db2.gz OWIPNMRTYCRHQP-UHFFFAOYSA-N 0 1 452.039 4.916 20 0 JJADMN CN(Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl)C(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC001455580686 1066412348 /nfs/dbraw/zinc/41/23/48/1066412348.db2.gz FIJVSKYBHTZUTK-IIBYNOLFSA-N 0 1 457.785 4.853 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC001361146007 1066431027 /nfs/dbraw/zinc/43/10/27/1066431027.db2.gz OTPAWMFDQOWDNY-DHIUTWEWSA-N 0 1 495.668 4.900 20 0 JJADMN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)cn1 ZINC001361149975 1066440724 /nfs/dbraw/zinc/44/07/24/1066440724.db2.gz OKOGICJSVJRZRB-UHFFFAOYSA-N 0 1 458.952 4.636 20 0 JJADMN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001455850403 1066441394 /nfs/dbraw/zinc/44/13/94/1066441394.db2.gz MDFNVOLVSAXHFZ-PMUMKWKESA-N 0 1 453.391 4.960 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001361152042 1066445270 /nfs/dbraw/zinc/44/52/70/1066445270.db2.gz HMCFZRJTVYVSKL-IGABQKFOSA-N 0 1 483.701 4.844 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546077889 1066460073 /nfs/dbraw/zinc/46/00/73/1066460073.db2.gz XQMBLRDPFFLMJU-DQCZWYHMSA-N 0 1 483.701 4.586 20 0 JJADMN CCCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509020 1066470111 /nfs/dbraw/zinc/47/01/11/1066470111.db2.gz PXFJLQXROMVVFY-QRWLVFNGSA-N 0 1 453.414 4.790 20 0 JJADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)n[nH]1 ZINC001444572617 1066478485 /nfs/dbraw/zinc/47/84/85/1066478485.db2.gz TWFPVIQLGQIEJC-UHFFFAOYSA-N 0 1 458.522 4.539 20 0 JJADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)n1 ZINC001444572617 1066478492 /nfs/dbraw/zinc/47/84/92/1066478492.db2.gz TWFPVIQLGQIEJC-UHFFFAOYSA-N 0 1 458.522 4.539 20 0 JJADMN COc1ccc(-c2n[nH]c(NC(=O)Cc3cccc(OCc4ccccc4C)c3)n2)cc1OC ZINC001444587115 1066479511 /nfs/dbraw/zinc/47/95/11/1066479511.db2.gz TYMMGFJUUQXFNQ-UHFFFAOYSA-N 0 1 458.518 4.558 20 0 JJADMN O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001456033962 1066484313 /nfs/dbraw/zinc/48/43/13/1066484313.db2.gz WZZGDOXEPVFDNV-JOCHJYFZSA-N 0 1 452.986 4.884 20 0 JJADMN Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)CN4CCCCCCC4)cc3)cc2)nn1 ZINC001361176267 1066494662 /nfs/dbraw/zinc/49/46/62/1066494662.db2.gz KYPISOIEIBNUQU-UHFFFAOYSA-N 0 1 457.578 4.909 20 0 JJADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001444831261 1066510459 /nfs/dbraw/zinc/51/04/59/1066510459.db2.gz ZHMSKGCGEYICOM-INIZCTEOSA-N 0 1 452.439 4.727 20 0 JJADMN COc1ccc(CN(C(=O)c2cnn(CCC(F)(F)F)c2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001456109669 1066511021 /nfs/dbraw/zinc/51/10/21/1066511021.db2.gz NNCVYCZFMKFQNG-UHFFFAOYSA-N 0 1 457.456 4.876 20 0 JJADMN CCN(CC(=O)N(Cc1ccc(OC)cc1)c1ccc2nc(C)[nH]c2c1)C(=O)OC(C)(C)C ZINC001456109711 1066511374 /nfs/dbraw/zinc/51/13/74/1066511374.db2.gz OBQBZCQUHOQSDZ-UHFFFAOYSA-N 0 1 452.555 4.670 20 0 JJADMN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)o1 ZINC001444847418 1066511903 /nfs/dbraw/zinc/51/19/03/1066511903.db2.gz HBXQFWANCNWBAU-WWMYMODYSA-N 0 1 456.587 4.903 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546079625 1066512967 /nfs/dbraw/zinc/51/29/67/1066512967.db2.gz QJHUBHJSGHSXPQ-XMERXJNXSA-N 0 1 473.637 4.510 20 0 JJADMN Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H](c2ccco2)N(C)C)o1 ZINC001361191205 1066517252 /nfs/dbraw/zinc/51/72/52/1066517252.db2.gz KEFHFBYUCXQSFC-QGZVFWFLSA-N 0 1 451.493 4.911 20 0 JJADMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(CN(C)C)c(F)c3)ccc2C)cc1 ZINC001444943598 1066520609 /nfs/dbraw/zinc/52/06/09/1066520609.db2.gz JTTIBLJXKHSDFT-UHFFFAOYSA-N 0 1 455.555 4.557 20 0 JJADMN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC001444989004 1066527076 /nfs/dbraw/zinc/52/70/76/1066527076.db2.gz SMCAWUMBRDEQTI-UHFFFAOYSA-N 0 1 456.340 4.976 20 0 JJADMN Cc1ccc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001361201879 1066531968 /nfs/dbraw/zinc/53/19/68/1066531968.db2.gz JGTLGERFRRNDQE-LEAZDLGRSA-N 0 1 490.490 4.750 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](c2ccco2)N(C)C)o1 ZINC001361203934 1066533723 /nfs/dbraw/zinc/53/37/23/1066533723.db2.gz GJGCAKSBBWHLIH-QGZVFWFLSA-N 0 1 451.493 4.911 20 0 JJADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001445051768 1066534094 /nfs/dbraw/zinc/53/40/94/1066534094.db2.gz FVAJFRVUIOYFSA-MGPUTAFESA-N 0 1 450.988 4.887 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H](c2ccccc2Cl)N(C)C)o1 ZINC001361204187 1066534663 /nfs/dbraw/zinc/53/46/63/1066534663.db2.gz PDYSDGUUOAHHTD-JOCHJYFZSA-N 0 1 472.033 4.792 20 0 JJADMN CC(C)(C)OC(=O)N(CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C[C@@H]1CCCO1 ZINC001445082294 1066537333 /nfs/dbraw/zinc/53/73/33/1066537333.db2.gz ORYKGZWYJDSTGY-IBGZPJMESA-N 0 1 456.587 4.965 20 0 JJADMN CCN(CC)[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215309 1066539183 /nfs/dbraw/zinc/53/91/83/1066539183.db2.gz SGNXUEWULXGIDS-MOPGFXCFSA-N 0 1 457.537 4.556 20 0 JJADMN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001445270217 1066550683 /nfs/dbraw/zinc/55/06/83/1066550683.db2.gz JURJSHKCMIACDX-LUFKIMSYSA-N 0 1 451.696 4.923 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CCSCC(C)C)o1 ZINC001361223866 1066561560 /nfs/dbraw/zinc/56/15/60/1066561560.db2.gz AJEBPVFFSHEGDZ-HXUWFJFHSA-N 0 1 453.656 4.946 20 0 JJADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363890 1066562770 /nfs/dbraw/zinc/56/27/70/1066562770.db2.gz HJWQLISCYSWOMX-MBSDFSHPSA-N 0 1 450.608 4.975 20 0 JJADMN O=C(Nc1c2ccccc2[nH]c1-c1ccccc1)c1cnc(I)c(O)c1 ZINC001456327873 1066563253 /nfs/dbraw/zinc/56/32/53/1066563253.db2.gz CIBGPVYLCANVMR-UHFFFAOYSA-N 0 1 455.255 4.792 20 0 JJADMN CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001546081609 1066565865 /nfs/dbraw/zinc/56/58/65/1066565865.db2.gz SODLGIORDNGUSA-RLWLMLJZSA-N 0 1 496.681 4.517 20 0 JJADMN CC(C)(C)OC(=O)NCc1nc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3N)cc2[nH]1 ZINC001456374477 1066573175 /nfs/dbraw/zinc/57/31/75/1066573175.db2.gz QJACWCZCHQAHPX-UHFFFAOYSA-N 0 1 450.326 4.729 20 0 JJADMN Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc2nc(CNC(=O)OC(C)(C)C)[nH]c2c1 ZINC001456371056 1066573214 /nfs/dbraw/zinc/57/32/14/1066573214.db2.gz HLSZOIXEGLELGV-UHFFFAOYSA-N 0 1 450.326 4.850 20 0 JJADMN Cc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@H](c2ccco2)N(C)C)cc1Br ZINC001361232802 1066573924 /nfs/dbraw/zinc/57/39/24/1066573924.db2.gz YOWCQTKDHVLOHA-AYOQOUSVSA-N 0 1 476.394 4.706 20 0 JJADMN Cc1cc([C@H]2CCCCN2C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n[nH]1 ZINC001456380949 1066574302 /nfs/dbraw/zinc/57/43/02/1066574302.db2.gz IPROUZJDLXMYSJ-JTHBVZDNSA-N 0 1 450.970 4.987 20 0 JJADMN O=C(Nc1cnn(-c2ccccc2F)c1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001445526481 1066582718 /nfs/dbraw/zinc/58/27/18/1066582718.db2.gz RYZNYXZCSCXKMC-UHFFFAOYSA-N 0 1 456.886 4.937 20 0 JJADMN CCC1(C(=O)Nc2nc3ccc(Br)cc3[nH]2)CCN(C(=O)c2ccccc2)CC1 ZINC001361247942 1066590856 /nfs/dbraw/zinc/59/08/56/1066590856.db2.gz PFQLILDBGDZBNR-UHFFFAOYSA-N 0 1 455.356 4.597 20 0 JJADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001445590216 1066592742 /nfs/dbraw/zinc/59/27/42/1066592742.db2.gz IRQILRHZZOIGFV-RDPSFJRHSA-N 0 1 454.574 4.952 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Br)c(Cl)c1 ZINC001361253467 1066600972 /nfs/dbraw/zinc/60/09/72/1066600972.db2.gz VTHRCZNDBQIDDQ-UHFFFAOYSA-N 0 1 452.780 4.505 20 0 JJADMN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC001361261862 1066614856 /nfs/dbraw/zinc/61/48/56/1066614856.db2.gz ZIFFOYNQFPQAAI-OALUTQOASA-N 0 1 487.645 4.502 20 0 JJADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001545979201 1066625676 /nfs/dbraw/zinc/62/56/76/1066625676.db2.gz WDBAWFJFBXQDQJ-UHFFFAOYSA-N 0 1 451.202 4.850 20 0 JJADMN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC001446109216 1066661215 /nfs/dbraw/zinc/66/12/15/1066661215.db2.gz YEMYORWEEXFMFG-UHFFFAOYSA-N 0 1 450.486 4.555 20 0 JJADMN Cc1cccnc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CCOC(C)C)CC1 ZINC001492604778 1066661285 /nfs/dbraw/zinc/66/12/85/1066661285.db2.gz FJJJFEUCHAKMDV-UHFFFAOYSA-N 0 1 489.451 4.551 20 0 JJADMN CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](c2ccco2)N(C)C)C1 ZINC001492608575 1066669026 /nfs/dbraw/zinc/66/90/26/1066669026.db2.gz DMXNGJUVHLWSNC-IBGZPJMESA-N 0 1 474.378 4.899 20 0 JJADMN CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)COC1 ZINC001446185850 1066670370 /nfs/dbraw/zinc/67/03/70/1066670370.db2.gz TWWDCDBXNNEAOK-UHFFFAOYSA-N 0 1 456.930 4.506 20 0 JJADMN C[N@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001446191871 1066672733 /nfs/dbraw/zinc/67/27/33/1066672733.db2.gz KVGBTJXDVTYSRD-YLJYHZDGSA-N 0 1 455.755 4.572 20 0 JJADMN CN1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC001446191871 1066672740 /nfs/dbraw/zinc/67/27/40/1066672740.db2.gz KVGBTJXDVTYSRD-YLJYHZDGSA-N 0 1 455.755 4.572 20 0 JJADMN CCCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC001446195891 1066674293 /nfs/dbraw/zinc/67/42/93/1066674293.db2.gz YNZGMTZOZVBWDW-UHFFFAOYSA-N 0 1 454.548 4.846 20 0 JJADMN CN1CC[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001446196447 1066674362 /nfs/dbraw/zinc/67/43/62/1066674362.db2.gz SLWNANPPOMGTCV-UGKGYDQZSA-N 0 1 458.603 4.513 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001492613549 1066676107 /nfs/dbraw/zinc/67/61/07/1066676107.db2.gz YVCIRZVBTAGXGU-DEOSSOPVSA-N 0 1 481.685 4.802 20 0 JJADMN Cc1cc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(C)n1-c1ccn(C)n1 ZINC001446346958 1066694285 /nfs/dbraw/zinc/69/42/85/1066694285.db2.gz YCXVGWQCCFASQD-UHFFFAOYSA-N 0 1 452.387 4.610 20 0 JJADMN O=C(Nc1cc(C(=O)OCc2ccccc2)[nH]n1)c1cccc2c(Br)cccc12 ZINC001456802328 1066694351 /nfs/dbraw/zinc/69/43/51/1066694351.db2.gz XWFQVPFWCNRSAG-UHFFFAOYSA-N 0 1 450.292 4.935 20 0 JJADMN Cc1ccc(C)c(C2CCN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)CC2)c1 ZINC001456843022 1066704733 /nfs/dbraw/zinc/70/47/33/1066704733.db2.gz FDTLSDGCXQEUNK-FQEVSTJZSA-N 0 1 452.599 4.771 20 0 JJADMN Cc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001446518790 1066713342 /nfs/dbraw/zinc/71/33/42/1066713342.db2.gz SBZYYNIQXAHMTK-INIZCTEOSA-N 0 1 457.500 4.550 20 0 JJADMN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC001446520142 1066714754 /nfs/dbraw/zinc/71/47/54/1066714754.db2.gz YPHCGKDCPPXFSV-OSPHWJPCSA-N 0 1 452.002 4.806 20 0 JJADMN O=C(c1cccc2[nH]c(C(F)F)nc21)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456897746 1066717021 /nfs/dbraw/zinc/71/70/21/1066717021.db2.gz VHCULKSBVDYYTN-UHFFFAOYSA-N 0 1 456.674 4.951 20 0 JJADMN Cc1csc([C@H](C)Cn2c(N3CCN(Cc4ccccc4)C[C@H]3C)nnc2C(C)(C)C)n1 ZINC001492638440 1066726597 /nfs/dbraw/zinc/72/65/97/1066726597.db2.gz HMJUBBUWJCFXGJ-UYAOXDASSA-N 0 1 452.672 4.855 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(OCc2ccccc2)cs1 ZINC001457007359 1066740166 /nfs/dbraw/zinc/74/01/66/1066740166.db2.gz FALHCVQWQSKNLS-UHFFFAOYSA-N 0 1 451.592 4.730 20 0 JJADMN Cc1csc(CCCCn2c(C(C)C)nnc2N2CCN(CCc3cccs3)CC2)n1 ZINC001492643742 1066740105 /nfs/dbraw/zinc/74/01/05/1066740105.db2.gz CBWYDZMGGFZOHN-UHFFFAOYSA-N 0 1 458.701 4.616 20 0 JJADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001457009432 1066741131 /nfs/dbraw/zinc/74/11/31/1066741131.db2.gz BBICZHHZTUYWPP-UHFFFAOYSA-N 0 1 450.218 4.782 20 0 JJADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC001457014167 1066742707 /nfs/dbraw/zinc/74/27/07/1066742707.db2.gz ZMSYJSXXHZCMAS-OAHLLOKOSA-N 0 1 452.382 4.550 20 0 JJADMN Cc1csc(CCCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(C(C)C)CC2)n1 ZINC001492644701 1066743314 /nfs/dbraw/zinc/74/33/14/1066743314.db2.gz XBLHWTWTOVLDNC-FQEVSTJZSA-N 0 1 486.661 4.875 20 0 JJADMN C[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001446915546 1066756429 /nfs/dbraw/zinc/75/64/29/1066756429.db2.gz ZPGMKHJMKXDARE-ZDUSSCGKSA-N 0 1 455.992 4.945 20 0 JJADMN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001446981574 1066761554 /nfs/dbraw/zinc/76/15/54/1066761554.db2.gz LRXASTWJRNSXSS-GOSISDBHSA-N 0 1 450.505 4.742 20 0 JJADMN CC[C@@]1(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CCCN1C(=O)OC(C)(C)C ZINC001446985480 1066762033 /nfs/dbraw/zinc/76/20/33/1066762033.db2.gz QFEIFXCZMMENAW-DFBJGRDBSA-N 0 1 459.635 4.738 20 0 JJADMN O=C(c1c(F)ccc(Br)c1F)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001446989851 1066763119 /nfs/dbraw/zinc/76/31/19/1066763119.db2.gz WEUXKIJOJUFMFA-ZDUSSCGKSA-N 0 1 453.331 4.913 20 0 JJADMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001545991708 1066766856 /nfs/dbraw/zinc/76/68/56/1066766856.db2.gz XJXASUSSLJPGFM-XDHUDOTRSA-N 0 1 452.002 4.806 20 0 JJADMN CCC1(CC)[C@H](NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)[C@@H](C)[C@H]1OC ZINC001447023826 1066767336 /nfs/dbraw/zinc/76/73/36/1066767336.db2.gz MDHKOHARARRVRW-NXOUGTEYSA-N 0 1 450.988 4.929 20 0 JJADMN CCC[C@](C)(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1 ZINC001457134716 1066769754 /nfs/dbraw/zinc/76/97/54/1066769754.db2.gz YBIWFELJTTWMQJ-VWLOTQADSA-N 0 1 452.576 4.941 20 0 JJADMN COC(=O)c1csc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c1C ZINC001447108473 1066774094 /nfs/dbraw/zinc/77/40/94/1066774094.db2.gz JXJLRMUNKFUYSB-UHFFFAOYSA-N 0 1 458.561 4.513 20 0 JJADMN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3c2CN(C2CC2)C3)(C(F)(F)F)CC1 ZINC001447233536 1066784564 /nfs/dbraw/zinc/78/45/64/1066784564.db2.gz UDLPMQXTTYTVLU-UHFFFAOYSA-N 0 1 453.505 4.683 20 0 JJADMN C[C@@H](Oc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cc1)c1ccccc1 ZINC001447445357 1066810334 /nfs/dbraw/zinc/81/03/34/1066810334.db2.gz HOTHRZGZDBZMJG-SPLOXXLWSA-N 0 1 451.889 4.652 20 0 JJADMN C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)C1CCCCCC1 ZINC001447504360 1066816876 /nfs/dbraw/zinc/81/68/76/1066816876.db2.gz DRYSATKXAKMWCS-HNNXBMFYSA-N 0 1 450.988 4.935 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC(C)CC2)n1 ZINC001492687205 1066832600 /nfs/dbraw/zinc/83/26/00/1066832600.db2.gz CSVXNAYDTHLMKC-UHFFFAOYSA-N 0 1 476.398 4.531 20 0 JJADMN Cc1nnc(CCn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC(C)CC2)[nH]1 ZINC001492687205 1066832609 /nfs/dbraw/zinc/83/26/09/1066832609.db2.gz CSVXNAYDTHLMKC-UHFFFAOYSA-N 0 1 476.398 4.531 20 0 JJADMN Cc1n[nH]c(CCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccccc2Cl)n1 ZINC001492687844 1066834467 /nfs/dbraw/zinc/83/44/67/1066834467.db2.gz SAFXUYMUIDIYFN-UHFFFAOYSA-N 0 1 492.834 4.728 20 0 JJADMN Cc1nnc(CCn2c(-c3ccc(Br)s3)nnc2N(C)Cc2ccccc2Cl)[nH]1 ZINC001492687844 1066834477 /nfs/dbraw/zinc/83/44/77/1066834477.db2.gz SAFXUYMUIDIYFN-UHFFFAOYSA-N 0 1 492.834 4.728 20 0 JJADMN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2C1 ZINC001447794973 1066859773 /nfs/dbraw/zinc/85/97/73/1066859773.db2.gz FYHVLAHUYFVQAR-UXHICEINSA-N 0 1 451.655 4.693 20 0 JJADMN COc1ccc(/C=C(/C(=O)NCC2(CN3CCOCC3)CCCCC2)c2cccs2)cc1 ZINC001457561404 1066861282 /nfs/dbraw/zinc/86/12/82/1066861282.db2.gz ISKKGIUNVSZLPX-PTGBLXJZSA-N 0 1 454.636 4.696 20 0 JJADMN CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)c(OCC)c2)CC1 ZINC001447802820 1066862353 /nfs/dbraw/zinc/86/23/53/1066862353.db2.gz NZEBSECYTVAIBW-UHFFFAOYSA-N 0 1 451.489 4.594 20 0 JJADMN COc1ccc(CCCNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1OC ZINC001457577597 1066869826 /nfs/dbraw/zinc/86/98/26/1066869826.db2.gz PZUNZTJAUKCJEW-UHFFFAOYSA-N 0 1 458.514 4.700 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001457585397 1066871502 /nfs/dbraw/zinc/87/15/02/1066871502.db2.gz RMFHIDFQVPJRNT-JCGIZDLHSA-N 0 1 459.978 4.879 20 0 JJADMN COc1ccc([C@@H](NC(C)C)C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001457640227 1066889333 /nfs/dbraw/zinc/88/93/33/1066889333.db2.gz MJCFWHYMLNCMMQ-HSZRJFAPSA-N 0 1 453.583 4.666 20 0 JJADMN CO[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccccc1Br ZINC001448060046 1066895212 /nfs/dbraw/zinc/89/52/12/1066895212.db2.gz DKVASPFYKOVNEF-MSOLQXFVSA-N 0 1 459.306 4.575 20 0 JJADMN CN(C)[C@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001448070678 1066896360 /nfs/dbraw/zinc/89/63/60/1066896360.db2.gz WIMXXTCKHOFNRB-JOCHJYFZSA-N 0 1 455.480 4.990 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)c3cc(Br)cc(Br)c3)[nH]c2c1 ZINC001448100372 1066899377 /nfs/dbraw/zinc/89/93/77/1066899377.db2.gz AENVXADNTWLMLQ-SECBINFHSA-N 0 1 453.134 4.588 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)Cc3c(C)nn(-c4ccc(C)c(Cl)c4)c3C)[nH]c2c1 ZINC001448106250 1066899889 /nfs/dbraw/zinc/89/98/89/1066899889.db2.gz RHTVSPAPDKMAJL-OAHLLOKOSA-N 0 1 451.958 4.756 20 0 JJADMN COc1ccc2nc([C@@H](C)NC(=O)c3coc(-c4ccc(Br)cc4F)n3)[nH]c2c1 ZINC001448103372 1066900094 /nfs/dbraw/zinc/90/00/94/1066900094.db2.gz JPQJECBUBYWUHO-SNVBAGLBSA-N 0 1 459.275 4.619 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3cc(Br)cc(Cl)c3O)CCC[C@H]12 ZINC001457733288 1066906268 /nfs/dbraw/zinc/90/62/68/1066906268.db2.gz IITYBHIAJFKPCP-IFXJQAMLSA-N 0 1 459.768 4.926 20 0 JJADMN O=C(N[C@H](C(=O)Nc1cc(Br)cc(Cl)c1O)c1ccccc1)c1ccccc1 ZINC001457734042 1066906361 /nfs/dbraw/zinc/90/63/61/1066906361.db2.gz JSKPTQSMQNOZFR-SFHVURJKSA-N 0 1 459.727 4.918 20 0 JJADMN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 ZINC001457737861 1066907135 /nfs/dbraw/zinc/90/71/35/1066907135.db2.gz ZQQCTGYJJDCSOS-UHFFFAOYSA-N 0 1 459.333 4.580 20 0 JJADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001457769687 1066915172 /nfs/dbraw/zinc/91/51/72/1066915172.db2.gz YHMJLELHKVLYGH-INIZCTEOSA-N 0 1 451.792 4.792 20 0 JJADMN Cc1ccc(-c2cc(NC(=O)C(=O)c3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)[nH]n2)o1 ZINC001457775816 1066916957 /nfs/dbraw/zinc/91/69/57/1066916957.db2.gz GRWCTLJTMRBKOG-UHFFFAOYSA-N 0 1 457.412 4.621 20 0 JJADMN Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2C[C@H](c2ccco2)N(C)C)n1 ZINC001492741371 1066917145 /nfs/dbraw/zinc/91/71/45/1066917145.db2.gz ZCOUBEPKIANYHX-HSZRJFAPSA-N 0 1 479.604 4.590 20 0 JJADMN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC001457777280 1066917511 /nfs/dbraw/zinc/91/75/11/1066917511.db2.gz BNSZYIRFYVPFKD-UHFFFAOYSA-N 0 1 450.808 4.726 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC001457788625 1066920222 /nfs/dbraw/zinc/92/02/22/1066920222.db2.gz MYIGKVBBWIPZFR-AVRDEDQJSA-N 0 1 455.599 4.793 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001457788661 1066920539 /nfs/dbraw/zinc/92/05/39/1066920539.db2.gz NCZVTDLDCLVOCR-CPJSRVTESA-N 0 1 457.574 4.846 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(CC)onc1-c1ccccc1 ZINC001457789637 1066921399 /nfs/dbraw/zinc/92/13/99/1066921399.db2.gz OTXMDJXOVFBHPG-NRFANRHFSA-N 0 1 458.562 4.757 20 0 JJADMN C[C@@H](O)[C@](C)(CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)Cc1ccccc1 ZINC001457801693 1066923639 /nfs/dbraw/zinc/92/36/39/1066923639.db2.gz IIMADTLURQDDCG-GDJIYFAZSA-N 0 1 456.542 4.680 20 0 JJADMN CC(C)[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC001448437192 1066927216 /nfs/dbraw/zinc/92/72/16/1066927216.db2.gz JUCGNRLTJRFRDB-GOTSBHOMSA-N 0 1 457.590 4.664 20 0 JJADMN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001448478293 1066931171 /nfs/dbraw/zinc/93/11/71/1066931171.db2.gz DREJSKOMFCBWBC-OAHLLOKOSA-N 0 1 450.942 4.898 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3F)ccc2Cl)cc1 ZINC001457856650 1066932305 /nfs/dbraw/zinc/93/23/05/1066932305.db2.gz QWAYZDHQAUDCNF-GHTZIAJQSA-N 0 1 474.941 4.574 20 0 JJADMN O=C(Nc1n[nH]cc1C1CC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457880208 1066934898 /nfs/dbraw/zinc/93/48/98/1066934898.db2.gz NAXGDYWCZNNFNZ-UHFFFAOYSA-N 0 1 451.335 4.647 20 0 JJADMN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 ZINC001448508415 1066935151 /nfs/dbraw/zinc/93/51/51/1066935151.db2.gz VIOURWJTSABBQT-NRFANRHFSA-N 0 1 450.627 4.863 20 0 JJADMN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001457916111 1066941515 /nfs/dbraw/zinc/94/15/15/1066941515.db2.gz VXWQUNUXNVEZKJ-LRDDRELGSA-N 0 1 474.405 4.516 20 0 JJADMN COc1ccc(CCC(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1Br ZINC001457986929 1066952487 /nfs/dbraw/zinc/95/24/87/1066952487.db2.gz WXRPLZFNGDSESF-UHFFFAOYSA-N 0 1 451.324 4.967 20 0 JJADMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1Br ZINC001457991585 1066953674 /nfs/dbraw/zinc/95/36/74/1066953674.db2.gz HDMRYBIUCWJRGB-JKSUJKDBSA-N 0 1 451.792 4.603 20 0 JJADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001458029654 1066958706 /nfs/dbraw/zinc/95/87/06/1066958706.db2.gz SRLOMKHWEJSLNV-NEDOFYQNSA-N 0 1 483.815 4.678 20 0 JJADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cnnn1-c1ccccc1Cl ZINC001458078987 1066969364 /nfs/dbraw/zinc/96/93/64/1066969364.db2.gz CQOUBNDXHXFPNQ-UHFFFAOYSA-N 0 1 456.762 4.703 20 0 JJADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001458082225 1066970013 /nfs/dbraw/zinc/97/00/13/1066970013.db2.gz VFHPDLGYCDPJQI-UHFFFAOYSA-N 0 1 456.762 4.703 20 0 JJADMN CC[C@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545722221 1066977743 /nfs/dbraw/zinc/97/77/43/1066977743.db2.gz QQPMWLZBFTURME-DQEYMECFSA-N 0 1 465.642 4.715 20 0 JJADMN CC[C@H](c1nnc(N(C)Cc2ccoc2C)n1C[C@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545722224 1066977794 /nfs/dbraw/zinc/97/77/94/1066977794.db2.gz QQPMWLZBFTURME-RPBOFIJWSA-N 0 1 465.642 4.715 20 0 JJADMN CC(C)CCn1ncc(NC(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(C)C ZINC001449035150 1066978258 /nfs/dbraw/zinc/97/82/58/1066978258.db2.gz AIXHQBOGFLBVSO-KRWDZBQOSA-N 0 1 458.607 4.752 20 0 JJADMN CCn1c(SCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)nnc1-c1cccs1 ZINC001458137373 1066985465 /nfs/dbraw/zinc/98/54/65/1066985465.db2.gz AIWDLFPHNXSYTF-UHFFFAOYSA-N 0 1 452.487 4.652 20 0 JJADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001449308992 1066997524 /nfs/dbraw/zinc/99/75/24/1066997524.db2.gz MNSJWJYUBWMDRC-LJAQVGFWSA-N 0 1 455.646 4.679 20 0 JJADMN CCOC(=O)c1nc(NCc2ccccc2CN(C)Cc2ccco2)ccc1Br ZINC001458203907 1067002524 /nfs/dbraw/zinc/00/25/24/1067002524.db2.gz OEPIIOGRLLGAQC-UHFFFAOYSA-N 0 1 458.356 4.858 20 0 JJADMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001458214175 1067004755 /nfs/dbraw/zinc/00/47/55/1067004755.db2.gz PCLUKTGOJONCOW-UARRHKHWSA-N 0 1 455.643 4.501 20 0 JJADMN CC[C@@H](c1nnc(N2CCC(F)(F)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545741794 1067008500 /nfs/dbraw/zinc/00/85/00/1067008500.db2.gz WQKXAXMXDZDAMM-SFHLNBCPSA-N 0 1 461.601 4.553 20 0 JJADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)c(C)n1CC1CC1 ZINC001449602246 1067017328 /nfs/dbraw/zinc/01/73/28/1067017328.db2.gz RDWHEAYLKYMUMI-MRXNPFEDSA-N 0 1 459.432 4.670 20 0 JJADMN CCC[C@@H]1CN(C(=O)[C@H](OC)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001458273334 1067018678 /nfs/dbraw/zinc/01/86/78/1067018678.db2.gz CHFZUGPKNQEWOU-YLJYHZDGSA-N 0 1 451.430 4.711 20 0 JJADMN CC[C@@H](c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545751398 1067024036 /nfs/dbraw/zinc/02/40/36/1067024036.db2.gz FLTWHRSMSAXQNQ-PZUNEJSGSA-N 0 1 453.675 4.803 20 0 JJADMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001458332822 1067033044 /nfs/dbraw/zinc/03/30/44/1067033044.db2.gz GHMLPDVBGXGHGG-UHFFFAOYSA-N 0 1 459.518 4.732 20 0 JJADMN CC[C@H](c1nnc(N2CCN(C3CCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545756910 1067035060 /nfs/dbraw/zinc/03/50/60/1067035060.db2.gz PYHZCLLCDRZBGM-QHCPKHFHSA-N 0 1 496.700 4.798 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1CCC(F)(F)CC1)c1ccccc1 ZINC001545758353 1067037537 /nfs/dbraw/zinc/03/75/37/1067037537.db2.gz FDQRHYSJEJUSLE-REWPJTCUSA-N 0 1 475.628 4.802 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1Cc1cnn(CC(C)C)c1C)c1ccccc1 ZINC001545758594 1067038872 /nfs/dbraw/zinc/03/88/72/1067038872.db2.gz JKAYLJAHEYWMBS-BWKNWUBXSA-N 0 1 463.674 4.560 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758897 1067040466 /nfs/dbraw/zinc/04/04/66/1067040466.db2.gz OWNXEHMENKMAFU-UNMCSNQZSA-N 0 1 484.689 4.654 20 0 JJADMN CCN1C[C@@H](C)N(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C[C@@H]1C ZINC001458431119 1067059001 /nfs/dbraw/zinc/05/90/01/1067059001.db2.gz PDDNFNCYIUNFIL-DLBZAZTESA-N 0 1 458.400 4.565 20 0 JJADMN COc1ccc(CC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1OC ZINC001458446466 1067063333 /nfs/dbraw/zinc/06/33/33/1067063333.db2.gz GUWXXHZJPBOOJQ-YCRPNKLZSA-N 0 1 455.357 4.501 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC12CCC2 ZINC001450242527 1067063540 /nfs/dbraw/zinc/06/35/40/1067063540.db2.gz VEVQFSYQWCDWEE-ZDUSSCGKSA-N 0 1 450.992 4.844 20 0 JJADMN C[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(C2CC2)c1 ZINC001450245187 1067063912 /nfs/dbraw/zinc/06/39/12/1067063912.db2.gz HYIJKQMDKKZJEO-DVECYGJZSA-N 0 1 451.611 4.767 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2ccc(OCc3ccccc3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001458450709 1067065300 /nfs/dbraw/zinc/06/53/00/1067065300.db2.gz WBBPYORGLVESAE-CYFREDJKSA-N 0 1 453.945 4.876 20 0 JJADMN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001450259476 1067065612 /nfs/dbraw/zinc/06/56/12/1067065612.db2.gz FOKHNXIROLUPKS-VWLOTQADSA-N 0 1 458.603 4.939 20 0 JJADMN CCC(CC)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2CCCC[C@H]2C1)OC ZINC001545774458 1067067440 /nfs/dbraw/zinc/06/74/40/1067067440.db2.gz QDBJMEUTKPVPPI-SFHVURJKSA-N 0 1 494.453 4.726 20 0 JJADMN COc1c(Br)c(C)sc1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001450270680 1067067343 /nfs/dbraw/zinc/06/73/43/1067067343.db2.gz JYMUXYFESDFECT-UHFFFAOYSA-N 0 1 450.358 4.817 20 0 JJADMN CCCCCOc1cc(C)ccc1CNC(=O)c1cccc(I)c1O ZINC001545775125 1067068418 /nfs/dbraw/zinc/06/84/18/1067068418.db2.gz MKUWULIPVJIHGF-UHFFFAOYSA-N 0 1 453.320 4.804 20 0 JJADMN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC001458470732 1067070431 /nfs/dbraw/zinc/07/04/31/1067070431.db2.gz QLNYMPWFOOPJRZ-UHFFFAOYSA-N 0 1 456.474 4.578 20 0 JJADMN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H]1c1ccc(OC)cc1 ZINC001458470028 1067070488 /nfs/dbraw/zinc/07/04/88/1067070488.db2.gz LYIPGRCOHFQBGX-UWJYYQICSA-N 0 1 456.493 4.838 20 0 JJADMN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(C)c2)CC1)SC ZINC001545779563 1067074981 /nfs/dbraw/zinc/07/49/81/1067074981.db2.gz RYRIHRRWNJGIHB-UHFFFAOYSA-N 0 1 452.672 4.826 20 0 JJADMN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2C)CC1)OC ZINC001545791278 1067088392 /nfs/dbraw/zinc/08/83/92/1067088392.db2.gz MYBAVULZFJCXFX-UHFFFAOYSA-N 0 1 467.683 4.766 20 0 JJADMN CC[C@@H](c1ccccc1OC)N(C)C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001450601184 1067093700 /nfs/dbraw/zinc/09/37/00/1067093700.db2.gz BKUANPMHNICCED-NRFANRHFSA-N 0 1 453.608 4.864 20 0 JJADMN CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC001545802869 1067110631 /nfs/dbraw/zinc/11/06/31/1067110631.db2.gz CZFPQAYMGOIJKK-IEZKXTBUSA-N 0 1 469.674 4.505 20 0 JJADMN CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)N1CCOCC1 ZINC001545803636 1067114138 /nfs/dbraw/zinc/11/41/38/1067114138.db2.gz RCSHMKNWHNYLTB-RDGATRHJSA-N 0 1 471.665 4.747 20 0 JJADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001450746768 1067115671 /nfs/dbraw/zinc/11/56/71/1067115671.db2.gz REFHUSNNLIJJRI-LJQANCHMSA-N 0 1 451.832 4.842 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1C)N1CCOCC1 ZINC001545805517 1067120102 /nfs/dbraw/zinc/12/01/02/1067120102.db2.gz OQCJYGZOKCYYPT-QTEQDKRBSA-N 0 1 473.637 4.683 20 0 JJADMN CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1)N1CCOCC1 ZINC001545805765 1067121016 /nfs/dbraw/zinc/12/10/16/1067121016.db2.gz RUTXHKBMQZNNDK-BJKOFHAPSA-N 0 1 455.647 4.586 20 0 JJADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001450810005 1067125112 /nfs/dbraw/zinc/12/51/12/1067125112.db2.gz YTQNGRLJWCUYJB-UTKZUKDTSA-N 0 1 451.567 4.841 20 0 JJADMN C[C@H](NC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC001546103108 1067126996 /nfs/dbraw/zinc/12/69/96/1067126996.db2.gz ZZKQYFCVEVBJHB-GXTWGEPZSA-N 0 1 453.370 4.932 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(F)F)C1)N1CCOCC1 ZINC001545808169 1067132184 /nfs/dbraw/zinc/13/21/84/1067132184.db2.gz UGDGVWGRCOJOPC-VQTJNVASSA-N 0 1 497.034 4.612 20 0 JJADMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(O)c(F)cc2F)ccc1Cl ZINC001450892915 1067133900 /nfs/dbraw/zinc/13/39/00/1067133900.db2.gz CRQKTKKQKKCHFS-UHFFFAOYSA-N 0 1 452.866 4.685 20 0 JJADMN Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC001545808803 1067135099 /nfs/dbraw/zinc/13/50/99/1067135099.db2.gz KCVPOSVNVRJEBC-UHFFFAOYSA-N 0 1 457.983 4.763 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)N1CCOCC1 ZINC001545810193 1067137487 /nfs/dbraw/zinc/13/74/87/1067137487.db2.gz RLPQBEMVDORNOS-KOSHJBKYSA-N 0 1 486.611 4.886 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(C)C)C1)N1CCOCC1 ZINC001545814950 1067143476 /nfs/dbraw/zinc/14/34/76/1067143476.db2.gz JUXNVQOZEGGTDY-HJOGWXRNSA-N 0 1 461.695 4.529 20 0 JJADMN CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCCCCCC1)N1CCOCC1 ZINC001545817172 1067146462 /nfs/dbraw/zinc/14/64/62/1067146462.db2.gz FUUCOGWPXSEFSO-VWLOTQADSA-N 0 1 483.701 4.785 20 0 JJADMN CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC)N1CCOCC1 ZINC001545817310 1067148702 /nfs/dbraw/zinc/14/87/02/1067148702.db2.gz IBPKTNJMWWECFG-OPXMRZJTSA-N 0 1 471.665 4.770 20 0 JJADMN CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCC[C@H](SC)C1)N1CCOCC1 ZINC001545817391 1067149280 /nfs/dbraw/zinc/14/92/80/1067149280.db2.gz JIMISGSUHANFKN-VXKWHMMOSA-N 0 1 465.752 4.726 20 0 JJADMN CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C)CC1)N1CCOCC1 ZINC001545819289 1067153739 /nfs/dbraw/zinc/15/37/39/1067153739.db2.gz COIQZBMLUUCOIX-OZXSUGGESA-N 0 1 467.702 4.827 20 0 JJADMN CCC(CC)[C@H](Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545819362 1067154317 /nfs/dbraw/zinc/15/43/17/1067154317.db2.gz DSKGUAIZFSAAMB-SANMLTNESA-N 0 1 497.728 4.898 20 0 JJADMN CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C)CC1)N1CCOCC1 ZINC001545819393 1067154386 /nfs/dbraw/zinc/15/43/86/1067154386.db2.gz FDEMNPDNVPTIAQ-BWKNWUBXSA-N 0 1 487.664 4.760 20 0 JJADMN COC(=O)c1ccc(OCCSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c(Cl)c1 ZINC001458817203 1067154342 /nfs/dbraw/zinc/15/43/42/1067154342.db2.gz VFGZVSGBMMTBKO-UHFFFAOYSA-N 0 1 454.335 4.745 20 0 JJADMN Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)c1C ZINC001451390218 1067163720 /nfs/dbraw/zinc/16/37/20/1067163720.db2.gz YEGMRAGDFUSCAT-UHFFFAOYSA-N 0 1 455.555 4.557 20 0 JJADMN Cc1ccc(Oc2ccccc2CCNC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC001451432436 1067171349 /nfs/dbraw/zinc/17/13/49/1067171349.db2.gz PMISTZUNONGMRK-UHFFFAOYSA-N 0 1 459.571 4.535 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N(C)c2ccc(C)cc2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001545828105 1067178292 /nfs/dbraw/zinc/17/82/92/1067178292.db2.gz KDIZIRFCDLLJCO-QFIPXVFZSA-N 0 1 464.614 4.703 20 0 JJADMN O=C(NCc1n[nH]c(-c2ccncc2)n1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC001451596141 1067180459 /nfs/dbraw/zinc/18/04/59/1067180459.db2.gz PBTHSTZKIDXMPR-HXUWFJFHSA-N 0 1 454.317 4.610 20 0 JJADMN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CSc3nc(C=Cc4ccccc4)n[nH]3)C2)CC1 ZINC001458904175 1067191373 /nfs/dbraw/zinc/19/13/73/1067191373.db2.gz RARGTAZZENXEJF-ZBTAVZRMSA-N 0 1 456.612 4.873 20 0 JJADMN Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1 ZINC001451873424 1067195787 /nfs/dbraw/zinc/19/57/87/1067195787.db2.gz ANVBPMQTCLBARS-LJQANCHMSA-N 0 1 458.628 4.813 20 0 JJADMN O=C(c1cc(Cl)nc(Cl)c1)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC001451915232 1067198072 /nfs/dbraw/zinc/19/80/72/1067198072.db2.gz CBZNOTNWYYLCJD-KRWDZBQOSA-N 0 1 452.139 4.662 20 0 JJADMN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001545849948 1067204752 /nfs/dbraw/zinc/20/47/52/1067204752.db2.gz XAUYDSPBKYTWPH-OTPAQWSUSA-N 0 1 480.701 4.516 20 0 JJADMN CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)[nH]1 ZINC001458950473 1067205881 /nfs/dbraw/zinc/20/58/81/1067205881.db2.gz AOTQWKZJZGTDDN-GFCCVEGCSA-N 0 1 454.340 4.648 20 0 JJADMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)[C@@H]1CCCCO1 ZINC001452630023 1067238780 /nfs/dbraw/zinc/23/87/80/1067238780.db2.gz GFNDJWLCZXWXGG-QUCCMNQESA-N 0 1 450.988 4.527 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CN(C)C(=O)c3cc(-c4c(F)cccc4F)no3)cc2)C[C@H](C)O1 ZINC001452689088 1067243929 /nfs/dbraw/zinc/24/39/29/1067243929.db2.gz VTQNGSMLOBDTHC-CALCHBBNSA-N 0 1 455.505 4.501 20 0 JJADMN Cc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1-c1ccccc1 ZINC001452690551 1067244372 /nfs/dbraw/zinc/24/43/72/1067244372.db2.gz JJBPSYGSOJJQNK-BGYRXZFFSA-N 0 1 459.590 4.644 20 0 JJADMN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@@H]3C)c2)n1 ZINC001452768010 1067249915 /nfs/dbraw/zinc/24/99/15/1067249915.db2.gz HHTOXNDSSBQGIL-HBMCJLEFSA-N 0 1 459.594 4.666 20 0 JJADMN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@H]3C)c2)n1 ZINC001452768018 1067250179 /nfs/dbraw/zinc/25/01/79/1067250179.db2.gz HHTOXNDSSBQGIL-PCCBWWKXSA-N 0 1 459.594 4.666 20 0 JJADMN CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)C)CC2)O1 ZINC001546045317 1067259550 /nfs/dbraw/zinc/25/95/50/1067259550.db2.gz NLIVNPNYNRUUNT-VMODYCNZSA-N 0 1 469.674 4.913 20 0 JJADMN CCNc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001453133935 1067282635 /nfs/dbraw/zinc/28/26/35/1067282635.db2.gz URHPMQWEPQRKGP-LPHOPBHVSA-N 0 1 471.882 4.588 20 0 JJADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC001453266273 1067292440 /nfs/dbraw/zinc/29/24/40/1067292440.db2.gz OAWCTESFGAGLGU-UHFFFAOYSA-N 0 1 454.452 4.513 20 0 JJADMN CC[C@]1(C)CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C(C)C)CC2)O1 ZINC001546048844 1067294527 /nfs/dbraw/zinc/29/45/27/1067294527.db2.gz QQNJMGWSPBAOER-WZONZLPQSA-N 0 1 494.453 4.725 20 0 JJADMN COc1cc2c(cc1OC)CCN(Cc1cc(C)c(I)cc1C)CC2 ZINC001459351653 1067301215 /nfs/dbraw/zinc/30/12/15/1067301215.db2.gz VMHCXKKYYJIPRK-UHFFFAOYSA-N 0 1 451.348 4.526 20 0 JJADMN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)CN2CCC(C)CC2)cc1OCC ZINC001453395393 1067303553 /nfs/dbraw/zinc/30/35/53/1067303553.db2.gz HAZZRSKKHXXMJJ-HXUWFJFHSA-N 0 1 452.595 4.565 20 0 JJADMN CC(C)(C)OC(=O)NCCCCCCCN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001459386845 1067310138 /nfs/dbraw/zinc/31/01/38/1067310138.db2.gz PNAPOGZBFPCGSO-UHFFFAOYSA-N 0 1 456.002 4.712 20 0 JJADMN COC(=O)CCN(CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1)CC(C)C ZINC001459391418 1067311329 /nfs/dbraw/zinc/31/13/29/1067311329.db2.gz GFIRDWIXUCOLBO-UHFFFAOYSA-N 0 1 453.608 4.659 20 0 JJADMN C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001453580734 1067316275 /nfs/dbraw/zinc/31/62/75/1067316275.db2.gz KWHOFUFHLNQNOQ-RDTXWAMCSA-N 0 1 479.419 4.871 20 0 JJADMN CC(C)OCC[C@H](O)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001459422735 1067320754 /nfs/dbraw/zinc/32/07/54/1067320754.db2.gz JPRFYDURNYBMRY-QHCPKHFHSA-N 0 1 451.438 4.876 20 0 JJADMN O=C(N[C@@H]1CN(C(=O)c2cnc(-c3ccccc3F)s2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453679836 1067321820 /nfs/dbraw/zinc/32/18/20/1067321820.db2.gz HDIOYYYANJZUOF-CRAIPNDOSA-N 0 1 477.483 4.626 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCN2CCOCC2)C1 ZINC001546108850 1067324543 /nfs/dbraw/zinc/32/45/43/1067324543.db2.gz MANPZYJQGWMYCJ-UHFFFAOYSA-N 0 1 460.066 4.651 20 0 JJADMN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3ccccc3)C[C@@H]2C)O1 ZINC001546054642 1067327601 /nfs/dbraw/zinc/32/76/01/1067327601.db2.gz PYOAWVFTXQHTHJ-VBANMALSSA-N 0 1 453.675 4.925 20 0 JJADMN CC(C)N1CCC[C@@H]1C(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 ZINC001453768777 1067328573 /nfs/dbraw/zinc/32/85/73/1067328573.db2.gz FABLZUMQBYZQQE-OAQYLSRUSA-N 0 1 453.587 4.507 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(F)cc1F ZINC001453915774 1067335495 /nfs/dbraw/zinc/33/54/95/1067335495.db2.gz RFWSSTYPLIOUPQ-INIZCTEOSA-N 0 1 454.836 4.838 20 0 JJADMN COc1ccc(Cl)cc1C[C@H]1CCCN(CC(=O)NCc2cccc(COC(C)C)c2)C1 ZINC001459525725 1067344704 /nfs/dbraw/zinc/34/47/04/1067344704.db2.gz JCCWFLPTGLGGKN-OAQYLSRUSA-N 0 1 459.030 4.845 20 0 JJADMN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C[C@@H](O)c1cc(Br)no1)CCO2 ZINC001459566572 1067353633 /nfs/dbraw/zinc/35/36/33/1067353633.db2.gz AYOBKBHWWHKRFZ-RTBURBONSA-N 0 1 459.340 4.505 20 0 JJADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001459621300 1067366502 /nfs/dbraw/zinc/36/65/02/1067366502.db2.gz YYLAIJYDTZTHID-OAHLLOKOSA-N 0 1 454.514 4.639 20 0 JJADMN CCO[C@@H]1C[C@@H](N(C)Cc2coc(-c3ccc(I)cc3)n2)C12CCC2 ZINC001459664827 1067376135 /nfs/dbraw/zinc/37/61/35/1067376135.db2.gz BYFXCWWXEPROHU-QZTJIDSGSA-N 0 1 452.336 4.726 20 0 JJADMN COc1cc(N[C@@H]2CCCN(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)cc(OC)c1 ZINC001459696242 1067386562 /nfs/dbraw/zinc/38/65/62/1067386562.db2.gz RNCIGGJEVWMEAT-OAQYLSRUSA-N 0 1 457.590 4.547 20 0 JJADMN O=C(CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Nc1ccc(F)cc1F ZINC001459697120 1067387060 /nfs/dbraw/zinc/38/70/60/1067387060.db2.gz XDYXIJHSTFBXAJ-UHFFFAOYSA-N 0 1 452.501 4.778 20 0 JJADMN CCCCn1c(CN2CCC[C@@H](C)[C@@H]2CCC)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459706940 1067389501 /nfs/dbraw/zinc/38/95/01/1067389501.db2.gz BZFYRUVJKFATEI-CTNGQTDRSA-N 0 1 451.615 4.548 20 0 JJADMN CC(C)(C)OC(=O)C1(CCN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CCC1 ZINC001459707243 1067389969 /nfs/dbraw/zinc/38/99/69/1067389969.db2.gz MITQKMHUDPDPPL-UHFFFAOYSA-N 0 1 459.631 4.969 20 0 JJADMN CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715500 1067393434 /nfs/dbraw/zinc/39/34/34/1067393434.db2.gz IIEKZXAUXZGIHK-CJFMBICVSA-N 0 1 452.595 4.861 20 0 JJADMN Cc1noc(C)c1N(C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001459740607 1067401433 /nfs/dbraw/zinc/40/14/33/1067401433.db2.gz KDEWLFWSOVUWOS-HXUWFJFHSA-N 0 1 457.456 4.529 20 0 JJADMN CC(C)(C)OC(=O)N1C[C@@H](N2CCC(OCc3ccccc3F)CC2)[C@H](O)c2ccccc21 ZINC001459771994 1067415977 /nfs/dbraw/zinc/41/59/77/1067415977.db2.gz BLMWRHTVWSEFTD-DNQXCXABSA-N 0 1 456.558 4.664 20 0 JJADMN CCN(CCOC)c1cccc(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n1 ZINC001459782411 1067419415 /nfs/dbraw/zinc/41/94/15/1067419415.db2.gz YTDVZSJNGDHNSA-NRFANRHFSA-N 0 1 455.647 4.830 20 0 JJADMN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN(C)C3CCC(CO)CC3)nc2c1C ZINC001459788178 1067422857 /nfs/dbraw/zinc/42/28/57/1067422857.db2.gz ZRCHGBNNCRWAET-UHFFFAOYSA-N 0 1 451.636 4.929 20 0 JJADMN COc1ccc(Br)cc1CN(C)CCC(=O)Nc1ccc(Br)cc1 ZINC001459790911 1067423937 /nfs/dbraw/zinc/42/39/37/1067423937.db2.gz NITVAWPJVIEQGN-UHFFFAOYSA-N 0 1 456.178 4.681 20 0 JJADMN COc1ccc(N=c2scc(CN3CCC[C@@](C)(CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001459798554 1067428661 /nfs/dbraw/zinc/42/86/61/1067428661.db2.gz SUWPDFJRUBXRGN-FQRUVTKNSA-N 0 1 451.636 4.994 20 0 JJADMN O=C(CNC1(c2ccc(F)cc2F)CCCC1)NCc1cccc(COCc2ccco2)c1 ZINC001459816100 1067435965 /nfs/dbraw/zinc/43/59/65/1067435965.db2.gz GCSSFQGXHAWJEJ-UHFFFAOYSA-N 0 1 454.517 4.950 20 0 JJADMN Cc1cccc(COc2ccc([C@@H](C)NCC(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2)c1 ZINC001459823868 1067440202 /nfs/dbraw/zinc/44/02/02/1067440202.db2.gz FOYWYMWQJAIPEW-ILBGXUMGSA-N 0 1 457.618 4.867 20 0 JJADMN CC(C)Cc1ccc([C@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C2CC2)cc1 ZINC001459823939 1067440215 /nfs/dbraw/zinc/44/02/15/1067440215.db2.gz FQIACZSUEDNLBH-QFIPXVFZSA-N 0 1 450.551 4.561 20 0 JJADMN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001459827105 1067441295 /nfs/dbraw/zinc/44/12/95/1067441295.db2.gz PUHNHXOAIUJCBE-QGZVFWFLSA-N 0 1 451.995 4.952 20 0 JJADMN CCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC001459828940 1067442550 /nfs/dbraw/zinc/44/25/50/1067442550.db2.gz TXLDNBXXGXDXLD-QZTJIDSGSA-N 0 1 451.592 4.999 20 0 JJADMN CCSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC001459828942 1067442622 /nfs/dbraw/zinc/44/26/22/1067442622.db2.gz TXLDNBXXGXDXLD-ROUUACIJSA-N 0 1 451.592 4.999 20 0 JJADMN C[C@H](NCC(=O)NCc1ccc(OC(F)F)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459840776 1067448667 /nfs/dbraw/zinc/44/86/67/1067448667.db2.gz PVUWWYSRUSTZIT-KRWDZBQOSA-N 0 1 453.489 4.507 20 0 JJADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459843369 1067450101 /nfs/dbraw/zinc/45/01/01/1067450101.db2.gz WXWDEGJSQLVFNR-KRWDZBQOSA-N 0 1 451.954 4.568 20 0 JJADMN COc1ccc(Cl)cc1CNC(=O)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001459843370 1067450140 /nfs/dbraw/zinc/45/01/40/1067450140.db2.gz WXWDEGJSQLVFNR-QGZVFWFLSA-N 0 1 451.954 4.568 20 0 JJADMN C[C@@H](NCC(=O)NCc1ccccc1Cn1cccn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001459843788 1067450578 /nfs/dbraw/zinc/45/05/78/1067450578.db2.gz QTNXVGXCQFUVFI-HXUWFJFHSA-N 0 1 458.537 4.830 20 0 JJADMN Cc1cc(I)ccc1NC(=O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC001459848852 1067454158 /nfs/dbraw/zinc/45/41/58/1067454158.db2.gz ULNPKHFBFXPNTA-HNNXBMFYSA-N 0 1 452.336 4.676 20 0 JJADMN CCOC(=O)C1=C(CN[C@H](c2ccccc2C)C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459850085 1067454956 /nfs/dbraw/zinc/45/49/56/1067454956.db2.gz NASRGFJXJXYMMQ-GOTSBHOMSA-N 0 1 455.986 4.806 20 0 JJADMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459850798 1067455675 /nfs/dbraw/zinc/45/56/75/1067455675.db2.gz LMYKHSXQFYUWAR-HZPDHXFCSA-N 0 1 459.468 4.906 20 0 JJADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC001459865755 1067463564 /nfs/dbraw/zinc/46/35/64/1067463564.db2.gz YROVUKJTIHHNLX-HUUCEWRRSA-N 0 1 450.377 4.839 20 0 JJADMN CCC[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC001459877987 1067470362 /nfs/dbraw/zinc/47/03/62/1067470362.db2.gz OAUTTXANXXFTPC-QGZVFWFLSA-N 0 1 452.338 4.544 20 0 JJADMN CC[C@@H]1CN(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459893106 1067476228 /nfs/dbraw/zinc/47/62/28/1067476228.db2.gz UAHNTHFMQKRCQN-QPPBQGQZSA-N 0 1 457.659 4.926 20 0 JJADMN CCOC(=O)c1ccc(NC(=O)CN[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1 ZINC001459901846 1067480753 /nfs/dbraw/zinc/48/07/53/1067480753.db2.gz OUQKCAXNUSVQDJ-OAHLLOKOSA-N 0 1 453.564 4.593 20 0 JJADMN COc1ccc2oc([C@@H](C)NCC(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)c(C)c2c1 ZINC001459904838 1067482595 /nfs/dbraw/zinc/48/25/95/1067482595.db2.gz OKAVEDKUFGIUCE-VGSWGCGISA-N 0 1 452.551 4.781 20 0 JJADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459907229 1067483640 /nfs/dbraw/zinc/48/36/40/1067483640.db2.gz YVOUNAZVNFGUQU-GOSISDBHSA-N 0 1 452.599 4.565 20 0 JJADMN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459909851 1067485067 /nfs/dbraw/zinc/48/50/67/1067485067.db2.gz ZFODAYAIGLMAAO-HKUYNNGSSA-N 0 1 452.599 4.646 20 0 JJADMN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCC(=O)N(C)CC(F)(F)F ZINC001459910509 1067485164 /nfs/dbraw/zinc/48/51/64/1067485164.db2.gz LVKPIGLTVLJPFW-SNVBAGLBSA-N 0 1 450.324 4.552 20 0 JJADMN C[C@H](NCC[C@@H]1Sc2ccccc2NC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC001459913303 1067487848 /nfs/dbraw/zinc/48/78/48/1067487848.db2.gz VLGCPIDLQLPVFY-SJCJKPOMSA-N 0 1 459.369 4.653 20 0 JJADMN CC[C@@H]1CN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001459916555 1067489494 /nfs/dbraw/zinc/48/94/94/1067489494.db2.gz MWSFDZGMZMPVNP-PXJZQJOASA-N 0 1 459.609 4.970 20 0 JJADMN CCOc1ccc([C@@H](C)NC(=O)CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001459930705 1067496105 /nfs/dbraw/zinc/49/61/05/1067496105.db2.gz KVBBFCPJPSXKGD-VQIMIIECSA-N 0 1 450.501 4.779 20 0 JJADMN CCC1(CC)CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC001459950331 1067504476 /nfs/dbraw/zinc/50/44/76/1067504476.db2.gz ODRGZIKSAODSBS-UHFFFAOYSA-N 0 1 451.567 4.898 20 0 JJADMN CC(C)CNC(=O)c1cccc(CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC001459951804 1067504880 /nfs/dbraw/zinc/50/48/80/1067504880.db2.gz QTBQDYICMOHWOC-UPVQGACJSA-N 0 1 459.993 4.705 20 0 JJADMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc3ncsc3c2)cc1 ZINC001459991067 1067517640 /nfs/dbraw/zinc/51/76/40/1067517640.db2.gz MEQBAQBUUWPAFU-SFHVURJKSA-N 0 1 458.587 4.824 20 0 JJADMN Cc1cccc2sc(C(=O)N3CCC([C@@H]4OCC[C@H]4NC(=O)C(F)(F)F)CC3)c(Cl)c21 ZINC001460041520 1067537183 /nfs/dbraw/zinc/53/71/83/1067537183.db2.gz SMIXEXKEGICPND-DYVFJYSZSA-N 0 1 474.932 4.551 20 0 JJADMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)C2(c3ccccc3Br)CC2)c1 ZINC001460042825 1067537498 /nfs/dbraw/zinc/53/74/98/1067537498.db2.gz XSBSHBTURVATSL-UHFFFAOYSA-N 0 1 455.274 4.606 20 0 JJADMN CCOC(=O)C1C(CN2C[C@@H](C(C)C)c3ccccc32)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460046657 1067538478 /nfs/dbraw/zinc/53/84/78/1067538478.db2.gz SFHQTZMQMSMNPM-WMZHIEFXSA-N 0 1 453.970 4.771 20 0 JJADMN CN(CCN1CCN(Cc2ccccc2)CC1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001460086965 1067550453 /nfs/dbraw/zinc/55/04/53/1067550453.db2.gz VSWHFGAPLVNBGA-UHFFFAOYSA-N 0 1 458.528 4.610 20 0 JJADMN Cc1oc2ccccc2c1CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC001460092176 1067552150 /nfs/dbraw/zinc/55/21/50/1067552150.db2.gz GUVFKNLNEZCYDL-OAHLLOKOSA-N 0 1 456.384 4.825 20 0 JJADMN COc1ccc(/C(C)=C/C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)cc1 ZINC001460095720 1067553448 /nfs/dbraw/zinc/55/34/48/1067553448.db2.gz XQMIWSQPXOYQEB-HJUDDPQBSA-N 0 1 458.400 4.640 20 0 JJADMN C[C@@H](c1cccc(Br)c1)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001460111092 1067557058 /nfs/dbraw/zinc/55/70/58/1067557058.db2.gz KGJDJUJYZJQSSP-BEVDRBHNSA-N 0 1 453.421 4.904 20 0 JJADMN COc1cc(OC)c(CNC(=O)CN2CCC(c3ccc(C(C)(C)C)cc3)CC2)c(OC)c1 ZINC001460125328 1067560107 /nfs/dbraw/zinc/56/01/07/1067560107.db2.gz LQWCXJPGRGVNKI-UHFFFAOYSA-N 0 1 454.611 4.506 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(CC(=O)Nc3ccc(Cl)c(F)c3)C2)C1 ZINC001460155682 1067566473 /nfs/dbraw/zinc/56/64/73/1067566473.db2.gz AWHHSHIFNXPCNC-DLBZAZTESA-N 0 1 453.986 4.777 20 0 JJADMN Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001460158466 1067567342 /nfs/dbraw/zinc/56/73/42/1067567342.db2.gz PNCLIJVCEDLHJM-RPLLCQBOSA-N 0 1 451.611 4.808 20 0 JJADMN COC(=O)c1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180477 1067572390 /nfs/dbraw/zinc/57/23/90/1067572390.db2.gz OAPDHUYIVJYHKF-VXKWHMMOSA-N 0 1 456.970 4.654 20 0 JJADMN COC(=O)c1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1Cl ZINC001460180481 1067572402 /nfs/dbraw/zinc/57/24/02/1067572402.db2.gz OAPDHUYIVJYHKF-YADHBBJMSA-N 0 1 456.970 4.654 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@H](CN2CCC(OC3CCCCC3)CC2)c2ccccc2)cc1 ZINC001460205551 1067578529 /nfs/dbraw/zinc/57/85/29/1067578529.db2.gz ZYNFJABPFADKEE-AREMUKBSSA-N 0 1 456.652 4.828 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H]2CCCN2C(=O)OC(C)(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001460205745 1067578638 /nfs/dbraw/zinc/57/86/38/1067578638.db2.gz AUHYZLNZHRCXCF-BHIFYINESA-N 0 1 477.621 4.908 20 0 JJADMN C[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460206503 1067579011 /nfs/dbraw/zinc/57/90/11/1067579011.db2.gz SHNBTDXPWIJORQ-FYYLOGMGSA-N 0 1 451.611 4.703 20 0 JJADMN Cc1sc(NC(=O)CN2CCN(Cc3ccccc3)[C@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC001460240651 1067589144 /nfs/dbraw/zinc/58/91/44/1067589144.db2.gz MPBFMVJQZRGQOI-QGZVFWFLSA-N 0 1 455.027 4.917 20 0 JJADMN CC(C)(C)OC(=O)CC[C@H]1CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC001460260981 1067593038 /nfs/dbraw/zinc/59/30/38/1067593038.db2.gz XLIBBJODNADTBE-VQIMIIECSA-N 0 1 456.505 4.524 20 0 JJADMN COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1cc(-c2cc(OC)ccc2Cl)no1 ZINC001460268044 1067593998 /nfs/dbraw/zinc/59/39/98/1067593998.db2.gz RQYXIVKCERJHKK-UHFFFAOYSA-N 0 1 457.895 4.961 20 0 JJADMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CCC1)Nc1ccc(Br)cc1Cl ZINC001460297376 1067600880 /nfs/dbraw/zinc/60/08/80/1067600880.db2.gz WTJMPAVOEVXVHA-FQEVSTJZSA-N 0 1 451.792 4.704 20 0 JJADMN CCN(C(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@H](C)c1ccc(F)cc1 ZINC001460300143 1067601771 /nfs/dbraw/zinc/60/17/71/1067601771.db2.gz DBEGRIPLXIUOQI-VEXUSMLFSA-N 0 1 454.586 4.793 20 0 JJADMN CCN(C(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001460300147 1067601843 /nfs/dbraw/zinc/60/18/43/1067601843.db2.gz DBEGRIPLXIUOQI-WDJPJFJCSA-N 0 1 454.586 4.793 20 0 JJADMN C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460313794 1067605430 /nfs/dbraw/zinc/60/54/30/1067605430.db2.gz NGRZIEUYGYOWTH-CQSZACIVSA-N 0 1 452.448 4.958 20 0 JJADMN CC(C)c1nc(CC2CCN([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n[nH]1 ZINC001460332827 1067610502 /nfs/dbraw/zinc/61/05/02/1067610502.db2.gz LBYWNPLHYLOULZ-ZDUSSCGKSA-N 0 1 457.928 4.882 20 0 JJADMN COCCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC001460336225 1067610954 /nfs/dbraw/zinc/61/09/54/1067610954.db2.gz MZAHDNQOMVZCBU-UHFFFAOYSA-N 0 1 455.599 4.509 20 0 JJADMN O=C(CN1CCCC[C@@H]1Cc1ccccc1F)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001460356182 1067616353 /nfs/dbraw/zinc/61/63/53/1067616353.db2.gz KTEIWQAZNQGKCR-PXDATVDWSA-N 0 1 458.021 4.829 20 0 JJADMN COc1ccc(NC(=O)CN2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC001460373434 1067620897 /nfs/dbraw/zinc/62/08/97/1067620897.db2.gz PFDYVCLEODOYBV-QFIPXVFZSA-N 0 1 452.473 4.638 20 0 JJADMN CCC1(CC)CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001546116199 1067632127 /nfs/dbraw/zinc/63/21/27/1067632127.db2.gz LFLOFSZRQWJKAB-NRFANRHFSA-N 0 1 488.105 4.747 20 0 JJADMN CCN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460538511 1067653206 /nfs/dbraw/zinc/65/32/06/1067653206.db2.gz NIXSDIVLIZXMDG-QAPCUYQASA-N 0 1 452.348 4.615 20 0 JJADMN COc1ccc([C@H]2CCN([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2)cc1F ZINC001460570471 1067658126 /nfs/dbraw/zinc/65/81/26/1067658126.db2.gz OUBUQMNZOGOGHV-RXVVDRJESA-N 0 1 450.476 4.834 20 0 JJADMN COc1ccc(NC(=O)CN2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 ZINC001460643721 1067683713 /nfs/dbraw/zinc/68/37/13/1067683713.db2.gz IBJGUMPNYOATIJ-QFIPXVFZSA-N 0 1 454.464 4.897 20 0 JJADMN CN(CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001460688066 1067701898 /nfs/dbraw/zinc/70/18/98/1067701898.db2.gz QNDFFBPAVWVVRF-UHFFFAOYSA-N 0 1 455.917 4.831 20 0 JJADMN Cc1ccc([C@@H]2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)C2(C)C)cc1 ZINC001460697455 1067703836 /nfs/dbraw/zinc/70/38/36/1067703836.db2.gz OZUKFHUQKZHWMT-RXVVDRJESA-N 0 1 459.512 4.869 20 0 JJADMN C[C@H](N[C@@H]1CCOc2ccc(Br)cc21)C(=O)Nc1ccc(Br)cc1 ZINC001460747557 1067714905 /nfs/dbraw/zinc/71/49/05/1067714905.db2.gz JNBNFUZQOGPBGV-MEDUHNTESA-N 0 1 454.162 4.652 20 0 JJADMN COc1ccc(NC(=O)CCN2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)cc1Cl ZINC001460748324 1067715199 /nfs/dbraw/zinc/71/51/99/1067715199.db2.gz DEHBHDXOCCZEBX-NYVOZVTQSA-N 0 1 456.970 4.664 20 0 JJADMN Cn1c2ccccc2cc(CN(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c1=O ZINC001460759072 1067718052 /nfs/dbraw/zinc/71/80/52/1067718052.db2.gz IVVRPWZJRYFPCY-UHFFFAOYSA-N 0 1 455.986 4.719 20 0 JJADMN FC(F)(F)c1ccc(OC2CCN(Cc3nc4ccc(Br)cc4[nH]3)CC2)nc1 ZINC001460762332 1067718866 /nfs/dbraw/zinc/71/88/66/1067718866.db2.gz XQIYFIMYDQSPJB-UHFFFAOYSA-N 0 1 455.278 4.783 20 0 JJADMN C[C@@H](N[C@@H]1CCc2c1cccc2F)C(=O)Nc1ccc(Br)cc1Br ZINC001460789679 1067724048 /nfs/dbraw/zinc/72/40/48/1067724048.db2.gz CWLNMHPIXXAAOD-QLJPJBMISA-N 0 1 456.153 4.955 20 0 JJADMN C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001460878918 1067740856 /nfs/dbraw/zinc/74/08/56/1067740856.db2.gz HQQJGBBCZMEFGO-SPYBWZPUSA-N 0 1 456.414 4.581 20 0 JJADMN COC(=O)C=Cc1ccc(OCCN2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 ZINC001460983365 1067756762 /nfs/dbraw/zinc/75/67/62/1067756762.db2.gz ZPLAPEZUOCRICF-JLHYYAGUSA-N 0 1 452.551 4.657 20 0 JJADMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1c[nH]nc1-c1ccc(Br)cc1 ZINC001461005339 1067761341 /nfs/dbraw/zinc/76/13/41/1067761341.db2.gz NORGURUVJUDDFP-UHFFFAOYSA-N 0 1 450.384 4.991 20 0 JJADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(Br)s3)o2)C1 ZINC001461012036 1067761918 /nfs/dbraw/zinc/76/19/18/1067761918.db2.gz OBSYGTBGHQJIEM-AWEZNQCLSA-N 0 1 455.418 4.952 20 0 JJADMN O=C1CCCN1Cc1ccccc1CNCc1ccc(Br)c(Br)c1 ZINC001461030652 1067765521 /nfs/dbraw/zinc/76/55/21/1067765521.db2.gz PTAVSUNTOCQMPA-UHFFFAOYSA-N 0 1 452.190 4.624 20 0 JJADMN O=C(c1ccc(OC(F)(F)F)cc1C(F)(F)F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001461055746 1067771404 /nfs/dbraw/zinc/77/14/04/1067771404.db2.gz YBGJYZAEHDCXLF-BEFAXECRSA-N 0 1 458.402 4.951 20 0 JJADMN COc1ccccc1[C@@H](CNCc1ccc(OC)c(OC)c1Cl)NC(=O)OC(C)(C)C ZINC001461065471 1067774618 /nfs/dbraw/zinc/77/46/18/1067774618.db2.gz HJDJTPANKNYELY-QGZVFWFLSA-N 0 1 450.963 4.721 20 0 JJADMN CC[C@H](C)[C@H](NCc1cncc(Br)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461146334 1067789157 /nfs/dbraw/zinc/78/91/57/1067789157.db2.gz CQWLLEICBNJCHE-AOMKIAJQSA-N 0 1 459.432 4.896 20 0 JJADMN O=C(C1CCC1)N(CCCNCc1c(F)ccc(C(F)(F)F)c1Br)C1CC1 ZINC001461206122 1067799274 /nfs/dbraw/zinc/79/92/74/1067799274.db2.gz JFSNHMBXLWGOIR-UHFFFAOYSA-N 0 1 451.302 4.878 20 0 JJADMN CCCSc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001461234055 1067806082 /nfs/dbraw/zinc/80/60/82/1067806082.db2.gz QIMGNSCUIPXHIG-OAQYLSRUSA-N 0 1 455.649 4.708 20 0 JJADMN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC001461262719 1067813648 /nfs/dbraw/zinc/81/36/48/1067813648.db2.gz HLLFPWARIHXMLN-UHFFFAOYSA-N 0 1 454.880 4.681 20 0 JJADMN CCCOc1c(Cl)cc(CNc2ccc3[nH]c(CCN4CCOCC4)nc3c2)cc1OC ZINC001461310048 1067825435 /nfs/dbraw/zinc/82/54/35/1067825435.db2.gz XUYKGQANHWQHCA-UHFFFAOYSA-N 0 1 458.990 4.501 20 0 JJADMN CS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC001461336967 1067831804 /nfs/dbraw/zinc/83/18/04/1067831804.db2.gz SKVHNUPZYHLCKX-UHFFFAOYSA-N 0 1 453.951 4.858 20 0 JJADMN COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C ZINC001461342550 1067834437 /nfs/dbraw/zinc/83/44/37/1067834437.db2.gz DBKYDHWOJONCEQ-UHFFFAOYSA-N 0 1 456.583 4.988 20 0 JJADMN FC(F)(F)c1cccnc1OCCNCc1cc(Cl)ccc1I ZINC001461351354 1067836315 /nfs/dbraw/zinc/83/63/15/1067836315.db2.gz BMCYDCFXDALRNA-UHFFFAOYSA-N 0 1 456.633 4.527 20 0 JJADMN Cc1ccc(S(=O)(=O)NCCNCc2ccccc2Oc2cc(Cl)ccc2C)s1 ZINC001461373111 1067840541 /nfs/dbraw/zinc/84/05/41/1067840541.db2.gz MWYKUUVTESVMNQ-UHFFFAOYSA-N 0 1 451.013 4.879 20 0 JJADMN COCCN(CCNCc1c(Cl)n(-c2ccccc2)nc1C(C)C)C(=O)OC(C)(C)C ZINC001461413801 1067850146 /nfs/dbraw/zinc/85/01/46/1067850146.db2.gz PNGNBJNXFLLRNF-UHFFFAOYSA-N 0 1 451.011 4.622 20 0 JJADMN O=C(N[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461417663 1067851276 /nfs/dbraw/zinc/85/12/76/1067851276.db2.gz IULMVLQYDQKVFT-ROUUACIJSA-N 0 1 468.516 4.833 20 0 JJADMN Cc1cc(N2CC[C@@H](NCc3ccc(Br)cc3C)C2=O)ccc1Br ZINC001461420496 1067852100 /nfs/dbraw/zinc/85/21/00/1067852100.db2.gz OWXUPZZWTHFKBO-GOSISDBHSA-N 0 1 452.190 4.724 20 0 JJADMN Cc1noc(C[C@@H](NCc2cn(-c3ccccc3Br)nc2C)c2ccccc2)n1 ZINC001461430865 1067854421 /nfs/dbraw/zinc/85/44/21/1067854421.db2.gz BIDSHISQDMDFKG-HXUWFJFHSA-N 0 1 452.356 4.708 20 0 JJADMN COc1cc(CN[C@@H](Cn2ccccc2=O)c2ccccc2)ccc1OCc1c(C)noc1C ZINC001461460591 1067862330 /nfs/dbraw/zinc/86/23/30/1067862330.db2.gz FGGLYGBFJASLRO-DEOSSOPVSA-N 0 1 459.546 4.572 20 0 JJADMN CCN(CC)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1 ZINC001461472634 1067866397 /nfs/dbraw/zinc/86/63/97/1067866397.db2.gz BSURUDMBNLCAFM-FGZHOGPDSA-N 0 1 455.599 4.644 20 0 JJADMN CC(C)(C)OC(=O)N1CCc2sc(CNCc3cccc(OCC(F)(F)F)n3)cc2C1 ZINC001461486146 1067872681 /nfs/dbraw/zinc/87/26/81/1067872681.db2.gz DBRGFAAYDJSKEV-UHFFFAOYSA-N 0 1 457.518 4.667 20 0 JJADMN Cc1nn(-c2cccc(C)c2)cc1CN[C@@H](C)c1ccc(Br)cc1OCCCO ZINC001461537798 1067884403 /nfs/dbraw/zinc/88/44/03/1067884403.db2.gz KREHBZPWGBBAIG-SFHVURJKSA-N 0 1 458.400 4.864 20 0 JJADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](N[C@@H]1CCC3(C[C@H]1F)OCCO3)CC(C)(C)O2 ZINC001461542553 1067885439 /nfs/dbraw/zinc/88/54/39/1067885439.db2.gz VXTVRZGZFQIPHF-GUDVDZBRSA-N 0 1 450.551 4.859 20 0 JJADMN Cc1nc2cc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)ccc2n1[C@H](C)CO ZINC001461573181 1067891082 /nfs/dbraw/zinc/89/10/82/1067891082.db2.gz VTIMBYGPYJSCGE-QGZVFWFLSA-N 0 1 450.583 4.803 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591099 1067895944 /nfs/dbraw/zinc/89/59/44/1067895944.db2.gz HLAAMZNSYREYMI-NXEZZACHSA-N 0 1 455.290 4.789 20 0 JJADMN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c(Br)c1 ZINC001461593349 1067896624 /nfs/dbraw/zinc/89/66/24/1067896624.db2.gz AHGXZHKOMQEPHU-DENIHFKCSA-N 0 1 459.428 4.894 20 0 JJADMN CC[C@H](NCc1cnc(-c2ccc(Br)cc2)s1)C(=O)NCc1cccs1 ZINC001461603363 1067900034 /nfs/dbraw/zinc/90/00/34/1067900034.db2.gz AHKIPTQCJUBXLB-KRWDZBQOSA-N 0 1 450.427 4.819 20 0 JJADMN COc1ccc(CNC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)c(Br)c1O ZINC001461622627 1067903746 /nfs/dbraw/zinc/90/37/46/1067903746.db2.gz YYQBJWQXOJZOQD-JOCHJYFZSA-N 0 1 450.373 4.553 20 0 JJADMN CC(C)(C)OC(=O)NCc1cccc(CNc2cc(F)cc(CNC(=O)C(F)(F)F)c2)c1 ZINC001461679770 1067916852 /nfs/dbraw/zinc/91/68/52/1067916852.db2.gz ZQDIYDZSWTXTSQ-UHFFFAOYSA-N 0 1 455.452 4.641 20 0 JJADMN COC(=O)c1cc(CNCc2ccc(OCc3ccccc3)c(Br)c2)n(C)c1C ZINC001461707075 1067922769 /nfs/dbraw/zinc/92/27/69/1067922769.db2.gz JVYHKXLMPUXBOE-UHFFFAOYSA-N 0 1 457.368 4.751 20 0 JJADMN O=C(CCc1ccccc1C(F)(F)F)Nc1nc2ccc(I)cc2[nH]1 ZINC001461768026 1067933373 /nfs/dbraw/zinc/93/33/73/1067933373.db2.gz AKGBHHREAHQKPH-UHFFFAOYSA-N 0 1 459.209 4.758 20 0 JJADMN Brc1cc(Br)cc(CN[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1 ZINC001461835437 1067944094 /nfs/dbraw/zinc/94/40/94/1067944094.db2.gz IIPLYQARAKZUAL-IEBWSBKVSA-N 0 1 453.174 4.984 20 0 JJADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC001461874045 1067952150 /nfs/dbraw/zinc/95/21/50/1067952150.db2.gz LFDMVPDKMLBDEB-VXKWHMMOSA-N 0 1 453.608 4.979 20 0 JJADMN COc1ccc(OC2CCN(Cc3cn(-c4ccc(Br)cc4)nc3C)CC2)cc1 ZINC001461920176 1067961356 /nfs/dbraw/zinc/96/13/56/1067961356.db2.gz NUMOCGUALHTDOD-UHFFFAOYSA-N 0 1 456.384 4.995 20 0 JJADMN Cn1cc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001461956481 1067968734 /nfs/dbraw/zinc/96/87/34/1067968734.db2.gz CVRSLOAQUODSFM-MRXNPFEDSA-N 0 1 457.500 4.538 20 0 JJADMN Cn1cc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(-c2cc(F)ccc2F)n1 ZINC001461956475 1067968930 /nfs/dbraw/zinc/96/89/30/1067968930.db2.gz CVRSLOAQUODSFM-INIZCTEOSA-N 0 1 457.500 4.538 20 0 JJADMN CN(C)C[C@H](NC(=O)Cc1ccccc1C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC001462042104 1067987934 /nfs/dbraw/zinc/98/79/34/1067987934.db2.gz LEVOSUQNQPUWHO-FQEVSTJZSA-N 0 1 451.394 4.910 20 0 JJADMN CCC1(C(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CCC(F)(F)CC1 ZINC001462055323 1067992736 /nfs/dbraw/zinc/99/27/36/1067992736.db2.gz XOZKRFZBGJCHQQ-UHFFFAOYSA-N 0 1 452.546 4.683 20 0 JJADMN CCOC(=O)c1cnn2cc(CN(C)C[C@@H](CC)Oc3ccc(Cl)c(Cl)c3)cnc12 ZINC001462106312 1068004275 /nfs/dbraw/zinc/00/42/75/1068004275.db2.gz VMFVMQXLZFJBSN-OAHLLOKOSA-N 0 1 451.354 4.502 20 0 JJADMN C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001462118295 1068007760 /nfs/dbraw/zinc/00/77/60/1068007760.db2.gz CFQQTGYBAUWTMB-IRXDYDNUSA-N 0 1 450.514 4.771 20 0 JJADMN COc1ccc(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294335 1068046064 /nfs/dbraw/zinc/04/60/64/1068046064.db2.gz KJIMDJWBRHRFLS-REWPJTCUSA-N 0 1 453.583 4.501 20 0 JJADMN CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(Cc3ccc(-c4ccc(F)cc4)o3)C2)nn1 ZINC001462311216 1068048670 /nfs/dbraw/zinc/04/86/70/1068048670.db2.gz DMPPQWIOLZSLGC-HXUWFJFHSA-N 0 1 455.534 4.539 20 0 JJADMN Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(-c2cnn(C)c2)c1 ZINC001462422933 1068071358 /nfs/dbraw/zinc/07/13/58/1068071358.db2.gz AWUSQYVKEPJXHM-GMAHTHKFSA-N 0 1 474.502 4.571 20 0 JJADMN CCn1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC001462430109 1068073173 /nfs/dbraw/zinc/07/31/73/1068073173.db2.gz VCYYXKQKXLDQEQ-VXKWHMMOSA-N 0 1 474.502 4.746 20 0 JJADMN CCn1cc(CN2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC001462430109 1068073186 /nfs/dbraw/zinc/07/31/86/1068073186.db2.gz VCYYXKQKXLDQEQ-VXKWHMMOSA-N 0 1 474.502 4.746 20 0 JJADMN COC(=O)c1ccc(COc2ccccc2CN2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC001462436995 1068074052 /nfs/dbraw/zinc/07/40/52/1068074052.db2.gz ITDZTXNCUUSHNX-AUSIDOKSSA-N 0 1 453.579 4.852 20 0 JJADMN Cc1c(Br)cc(CN[C@H](c2ccncc2)C2(CO)CCC2)cc1Br ZINC001462467388 1068080415 /nfs/dbraw/zinc/08/04/15/1068080415.db2.gz PQHHIAIBDWRPJT-GOSISDBHSA-N 0 1 454.206 4.909 20 0 JJADMN CCOC(=O)COc1ccc(CN2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 ZINC001462466980 1068080521 /nfs/dbraw/zinc/08/05/21/1068080521.db2.gz LGJMBVQOZFZGTK-UHFFFAOYSA-N 0 1 451.542 4.538 20 0 JJADMN COC(=O)c1ccc(CN[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001462486923 1068083629 /nfs/dbraw/zinc/08/36/29/1068083629.db2.gz VTQCITAMBLDDPN-GOSISDBHSA-N 0 1 459.306 4.647 20 0 JJADMN COc1cc(Br)c(CNC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1O ZINC001462505023 1068087358 /nfs/dbraw/zinc/08/73/58/1068087358.db2.gz SPOJFWFGFZIQQT-HNNXBMFYSA-N 0 1 457.409 4.679 20 0 JJADMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cc(Br)cc3F)C2)O1 ZINC001462538833 1068094411 /nfs/dbraw/zinc/09/44/11/1068094411.db2.gz ZQHQCHNENIWWKR-AOMKIAJQSA-N 0 1 451.355 4.593 20 0 JJADMN COc1ccc(NC(=O)C[C@H](C)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 ZINC001462550340 1068096831 /nfs/dbraw/zinc/09/68/31/1068096831.db2.gz ZNXNBTUGYLHNJQ-KRWDZBQOSA-N 0 1 455.555 4.654 20 0 JJADMN C[C@@H](NCc1cn(Cc2ccccc2)nc1C(C)(C)C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001462560259 1068098461 /nfs/dbraw/zinc/09/84/61/1068098461.db2.gz XGMYJTAKBXDQRK-OAQYLSRUSA-N 0 1 459.638 4.946 20 0 JJADMN CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CCOC)[C@@H](C)C2)CCOCC1 ZINC001546132568 1068101858 /nfs/dbraw/zinc/10/18/58/1068101858.db2.gz NHVJSPJCYIGKRR-SFHVURJKSA-N 0 1 496.483 4.616 20 0 JJADMN COC(=O)c1ccc(COc2ccc(CN3CC[C@@H](c4c(F)cccc4F)C3)cc2OC)o1 ZINC001462576251 1068102279 /nfs/dbraw/zinc/10/22/79/1068102279.db2.gz BVNRGEOCGQJNGS-QGZVFWFLSA-N 0 1 457.473 4.922 20 0 JJADMN O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001462611752 1068112156 /nfs/dbraw/zinc/11/21/56/1068112156.db2.gz PMYBWPPOGPGRBD-UHFFFAOYSA-N 0 1 452.721 4.662 20 0 JJADMN CC(C)(C)OC(=O)NCc1cccc(CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC001462616316 1068112941 /nfs/dbraw/zinc/11/29/41/1068112941.db2.gz GNOCVBDQGGTCBM-JOCHJYFZSA-N 0 1 458.002 4.759 20 0 JJADMN C[C@@H]1C[N@H+](Cc2cc(Br)c([O-])c(Br)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462622916 1068114977 /nfs/dbraw/zinc/11/49/77/1068114977.db2.gz HPLZQDTVVKFBJZ-DGCLKSJQSA-N 0 1 478.225 4.510 20 0 JJADMN C[C@@H]1C[N@@H+](Cc2cc(Br)c([O-])c(Br)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001462622916 1068114983 /nfs/dbraw/zinc/11/49/83/1068114983.db2.gz HPLZQDTVVKFBJZ-DGCLKSJQSA-N 0 1 478.225 4.510 20 0 JJADMN Cc1sc(CN2CCC3(CO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)cc1Br ZINC001462634231 1068119351 /nfs/dbraw/zinc/11/93/51/1068119351.db2.gz MTDCRRVVOAQVID-HNNXBMFYSA-N 0 1 459.450 4.715 20 0 JJADMN O=S(=O)(NCc1cccc(Cl)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001462688777 1068132234 /nfs/dbraw/zinc/13/22/34/1068132234.db2.gz ZWQPRHAOMWBOEV-BJKOFHAPSA-N 0 1 458.986 4.567 20 0 JJADMN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC(N2CCc3ccccc3C2)CC1 ZINC001462863556 1068195188 /nfs/dbraw/zinc/19/51/88/1068195188.db2.gz ZKLPRJKRGSFIOC-UHFFFAOYSA-N 0 1 458.933 4.570 20 0 JJADMN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c2ccccc12 ZINC001462895756 1068206660 /nfs/dbraw/zinc/20/66/60/1068206660.db2.gz KOTQXWSMCHUPTD-XMMPIXPASA-N 0 1 452.620 4.990 20 0 JJADMN O=S(=O)(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC001462931005 1068218728 /nfs/dbraw/zinc/21/87/28/1068218728.db2.gz VAUSDAJTJQZUMZ-SFHVURJKSA-N 0 1 456.283 4.934 20 0 JJADMN O=S(=O)(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC001462931004 1068218854 /nfs/dbraw/zinc/21/88/54/1068218854.db2.gz VAUSDAJTJQZUMZ-GOSISDBHSA-N 0 1 456.283 4.934 20 0 JJADMN Cc1ccc([C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)N2CCCC2)cc1 ZINC001462952979 1068227666 /nfs/dbraw/zinc/22/76/66/1068227666.db2.gz HBTMLJCUROAJIF-GOSISDBHSA-N 0 1 457.821 4.526 20 0 JJADMN O=S(=O)(CCc1ccccc1F)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001462973373 1068233999 /nfs/dbraw/zinc/23/39/99/1068233999.db2.gz HNVPSNFPEWRJHU-UHFFFAOYSA-N 0 1 459.414 4.603 20 0 JJADMN Cc1noc(C)c1[C@H](C)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463136369 1068298951 /nfs/dbraw/zinc/29/89/51/1068298951.db2.gz PEOUKTVQEDCPKP-PDIWNELESA-N 0 1 474.026 4.593 20 0 JJADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001463229731 1068328150 /nfs/dbraw/zinc/32/81/50/1068328150.db2.gz IVAZLPXSTIURKT-URXFXBBRSA-N 0 1 450.604 4.597 20 0 JJADMN C[S@](=O)(=NS(=O)(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1ccccc1 ZINC001463290980 1068346402 /nfs/dbraw/zinc/34/64/02/1068346402.db2.gz CHSUPEBYRZCQDS-MUUNZHRXSA-N 0 1 452.960 4.637 20 0 JJADMN CCOC(=O)Nc1ccc(C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)c(Cl)c1 ZINC001463334697 1068359750 /nfs/dbraw/zinc/35/97/50/1068359750.db2.gz DECKRVMKRJDPNZ-UHFFFAOYSA-N 0 1 455.671 4.939 20 0 JJADMN O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC001463337623 1068361166 /nfs/dbraw/zinc/36/11/66/1068361166.db2.gz PCGLPFVAZILOSY-UHFFFAOYSA-N 0 1 456.724 4.673 20 0 JJADMN Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)sc1Br ZINC001463405996 1068386704 /nfs/dbraw/zinc/38/67/04/1068386704.db2.gz UAJYCTXINQTWQX-ZDUSSCGKSA-N 0 1 454.415 4.572 20 0 JJADMN O=S(=O)(N[C@@H](CN1CCCCC1)c1ccccc1)c1c(Cl)cccc1Br ZINC001463521681 1068426739 /nfs/dbraw/zinc/42/67/39/1068426739.db2.gz VIXWOUQDQBNUKT-SFHVURJKSA-N 0 1 457.821 4.608 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2cc(Cl)c(F)cc2Br)N2CCCC2)c1 ZINC001463559400 1068442647 /nfs/dbraw/zinc/44/26/47/1068442647.db2.gz RSKWOAKFDXBGSV-IBGZPJMESA-N 0 1 455.755 4.817 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2cc3c([nH]2)c(C)ccc3Br)N2CCCC2)c1 ZINC001463564232 1068446042 /nfs/dbraw/zinc/44/60/42/1068446042.db2.gz YQQGAYZJMBFHCC-NRFANRHFSA-N 0 1 456.384 4.814 20 0 JJADMN COc1ccc([C@@H](CNC(=O)c2cc3c(Br)cccc3cn2)N2CCCC2)cc1 ZINC001463566022 1068447376 /nfs/dbraw/zinc/44/73/76/1068447376.db2.gz PKRSVWZOBHRFGH-JOCHJYFZSA-N 0 1 454.368 4.573 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)c1cc(Br)cc2cccnc21)N1CCCC1 ZINC001463570439 1068450357 /nfs/dbraw/zinc/45/03/57/1068450357.db2.gz HGJQJKVSMMJXCQ-FQEVSTJZSA-N 0 1 454.368 4.573 20 0 JJADMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC001463609394 1068464671 /nfs/dbraw/zinc/46/46/71/1068464671.db2.gz GRZUMIXYGVIFQQ-UHFFFAOYSA-N 0 1 450.438 4.947 20 0 JJADMN CN(C)[C@H](CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1cccs1 ZINC001463648810 1068480047 /nfs/dbraw/zinc/48/00/47/1068480047.db2.gz ZDDLGPPTQYEOPR-OAQYLSRUSA-N 0 1 457.640 4.734 20 0 JJADMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1c[nH]nc1-c1ccsc1 ZINC001463653208 1068482398 /nfs/dbraw/zinc/48/23/98/1068482398.db2.gz KGQKSDQCDIJKKG-UHFFFAOYSA-N 0 1 458.952 4.845 20 0 JJADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC001463653499 1068482525 /nfs/dbraw/zinc/48/25/25/1068482525.db2.gz XYSJUJWKWBLYNF-WDEREUQCSA-N 0 1 459.519 4.500 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=CCC(C)(C)CC3)ccc2OC)cc1 ZINC001463700682 1068499207 /nfs/dbraw/zinc/49/92/07/1068499207.db2.gz RNFCDKIHJGNKPX-UHFFFAOYSA-N 0 1 458.580 4.970 20 0 JJADMN O=S(=O)(N[C@H](c1ccccc1)C(F)F)c1csc(-c2cccc(Br)c2)n1 ZINC001463746061 1068510816 /nfs/dbraw/zinc/51/08/16/1068510816.db2.gz DPWRCYFSVNDVIO-OAHLLOKOSA-N 0 1 459.337 4.857 20 0 JJADMN CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2C1 ZINC001463773218 1068520619 /nfs/dbraw/zinc/52/06/19/1068520619.db2.gz BCEBQEQJUUSGJT-LEWJYISDSA-N 0 1 451.655 4.863 20 0 JJADMN CC(C)c1ncc(OCc2ccccc2)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)n1 ZINC001463784969 1068523079 /nfs/dbraw/zinc/52/30/79/1068523079.db2.gz VLWYBHPSHVIGLZ-HXUWFJFHSA-N 0 1 450.608 4.807 20 0 JJADMN CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2C)N(CC)CC)cc1 ZINC001463789812 1068524598 /nfs/dbraw/zinc/52/45/98/1068524598.db2.gz AWOCVPYOEMEBPF-HXUWFJFHSA-N 0 1 453.446 4.681 20 0 JJADMN CCc1ccc([C@H](CNS(=O)(=O)c2ccc3sc(Cl)nc3c2)N(CC)CC)cc1 ZINC001463790929 1068525128 /nfs/dbraw/zinc/52/51/28/1068525128.db2.gz GKEMYAVWDNTBJP-IBGZPJMESA-N 0 1 452.045 4.874 20 0 JJADMN CCc1ccc([C@@H](C[N-]S(=O)(=O)c2c(F)cccc2Br)[NH+](CC)CC)cc1 ZINC001463794256 1068526533 /nfs/dbraw/zinc/52/65/33/1068526533.db2.gz PSVJHDGVKMOKBT-LJQANCHMSA-N 0 1 457.409 4.512 20 0 JJADMN COc1ccc(Oc2ccc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)nc2)cc1 ZINC001463797221 1068528065 /nfs/dbraw/zinc/52/80/65/1068528065.db2.gz WRIPZWABIZUZBB-UHFFFAOYSA-N 0 1 451.954 4.930 20 0 JJADMN O=C(COc1ccc2cc(Br)ccc2c1)N1CCCN(Cc2ccccc2)CC1 ZINC001463828380 1068539498 /nfs/dbraw/zinc/53/94/98/1068539498.db2.gz QBHQRCUWVQGIEZ-UHFFFAOYSA-N 0 1 453.380 4.716 20 0 JJADMN CCN1C(=O)C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)[C@@H]1c1cccc(C)c1 ZINC001463832851 1068540468 /nfs/dbraw/zinc/54/04/68/1068540468.db2.gz AZPPZKIKXNDHMX-RSEQLOHWSA-N 0 1 454.014 4.511 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001463838651 1068543128 /nfs/dbraw/zinc/54/31/28/1068543128.db2.gz QNAMLEMSAGHWFC-UEXGIBASSA-N 0 1 450.023 4.677 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)(C)C(F)(F)F)ccc2Cl)cc1 ZINC001463844989 1068545806 /nfs/dbraw/zinc/54/58/06/1068545806.db2.gz YHLLIGCFPDMFPW-UHFFFAOYSA-N 0 1 450.866 4.676 20 0 JJADMN COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(I)c2O)cc1 ZINC001463849761 1068547597 /nfs/dbraw/zinc/54/75/97/1068547597.db2.gz VBGNMXHOBGQCFE-GOSISDBHSA-N 0 1 451.304 4.763 20 0 JJADMN CCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCN(C(C)C)CC2)CCCC1 ZINC001546142425 1068554063 /nfs/dbraw/zinc/55/40/63/1068554063.db2.gz JUMRQIRSXUWVLB-QFIPXVFZSA-N 0 1 488.721 4.893 20 0 JJADMN CCCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3Cl)N(CC)CC)CC2=O)cc1 ZINC001463912099 1068563075 /nfs/dbraw/zinc/56/30/75/1068563075.db2.gz IJLAEKCBWQMRDC-RDPSFJRHSA-N 0 1 456.030 4.845 20 0 JJADMN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(Br)c1O ZINC001463914243 1068564300 /nfs/dbraw/zinc/56/43/00/1068564300.db2.gz KRNJZWHHHAFDJP-UHFFFAOYSA-N 0 1 450.720 4.509 20 0 JJADMN CC[C@@H](C)c1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C(C)C)cc1 ZINC001463963152 1068575990 /nfs/dbraw/zinc/57/59/90/1068575990.db2.gz RESJUJKIZMSIHB-HOYKHHGWSA-N 0 1 458.624 4.817 20 0 JJADMN COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c(N)c1F ZINC001463966050 1068577115 /nfs/dbraw/zinc/57/71/15/1068577115.db2.gz OHPUOEKKMMYOQS-HXUWFJFHSA-N 0 1 458.415 4.831 20 0 JJADMN O=C(CCCC(=O)c1ccccc1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC001464073835 1068605762 /nfs/dbraw/zinc/60/57/62/1068605762.db2.gz OQACCMJHONUIJM-UHFFFAOYSA-N 0 1 455.602 4.996 20 0 JJADMN Cc1nc(-c2ccc(C)cc2F)sc1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC001464095562 1068613353 /nfs/dbraw/zinc/61/33/53/1068613353.db2.gz HKDKWGVZGRHMTH-UHFFFAOYSA-N 0 1 452.599 4.508 20 0 JJADMN CC[C@H](CNC(=O)CCCC(=O)c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC001464096920 1068613933 /nfs/dbraw/zinc/61/39/33/1068613933.db2.gz FATYQNBJMKMSEI-JOCHJYFZSA-N 0 1 457.412 4.755 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)C[C@@H](C)O1 ZINC001464120988 1068621833 /nfs/dbraw/zinc/62/18/33/1068621833.db2.gz MAIWLCBARXJRFS-DHIUTWEWSA-N 0 1 458.602 4.734 20 0 JJADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C[C@H](C)O1 ZINC001464122182 1068622377 /nfs/dbraw/zinc/62/23/77/1068622377.db2.gz RCULXXQJLAKBNP-ROUUACIJSA-N 0 1 459.512 4.743 20 0 JJADMN O=S(=O)(NCC(F)(F)c1ccc(Br)cc1)c1cc(Cl)sc1Cl ZINC001464123504 1068623144 /nfs/dbraw/zinc/62/31/44/1068623144.db2.gz UDYWOZJWSBFYRJ-UHFFFAOYSA-N 0 1 451.141 4.888 20 0 JJADMN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001464134389 1068629303 /nfs/dbraw/zinc/62/93/03/1068629303.db2.gz FMDMNGYFTCTFNS-HXUWFJFHSA-N 0 1 452.039 4.924 20 0 JJADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001464227627 1068665574 /nfs/dbraw/zinc/66/55/74/1068665574.db2.gz PJNZPLISTFXGLQ-STQMWFEESA-N 0 1 452.479 4.708 20 0 JJADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(I)c2[O-])cc1 ZINC001464239863 1068671384 /nfs/dbraw/zinc/67/13/84/1068671384.db2.gz RTVDLIGDSWVKHE-CQSZACIVSA-N 0 1 450.320 4.624 20 0 JJADMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001464278023 1068687373 /nfs/dbraw/zinc/68/73/73/1068687373.db2.gz WVYZQBBKVHPYBH-QFQXNSOFSA-N 0 1 456.652 4.835 20 0 JJADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC001464280985 1068689297 /nfs/dbraw/zinc/68/92/97/1068689297.db2.gz JZNARUKDLKOZQH-NPMXOYFQSA-N 0 1 454.933 4.536 20 0 JJADMN C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001464299478 1068696388 /nfs/dbraw/zinc/69/63/88/1068696388.db2.gz ONMBYAKGJPFAPF-CYBMUJFWSA-N 0 1 453.436 4.615 20 0 JJADMN C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001464299478 1068696393 /nfs/dbraw/zinc/69/63/93/1068696393.db2.gz ONMBYAKGJPFAPF-CYBMUJFWSA-N 0 1 453.436 4.615 20 0 JJADMN CC(C)CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001464299088 1068697048 /nfs/dbraw/zinc/69/70/48/1068697048.db2.gz NZBHRHQXWNHGCG-GOTSBHOMSA-N 0 1 459.034 4.964 20 0 JJADMN COc1ccccc1[C@@H](CNC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)N1CCCCC1 ZINC001464326729 1068707338 /nfs/dbraw/zinc/70/73/38/1068707338.db2.gz AJWHVMALUILEFJ-JOCHJYFZSA-N 0 1 450.970 4.763 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)N1CCCCC1 ZINC001464327332 1068707531 /nfs/dbraw/zinc/70/75/31/1068707531.db2.gz CJQDOYXUNKGBNC-ROOORRATSA-N 0 1 454.567 4.600 20 0 JJADMN COc1ccccc1[C@H](CNC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)N1CCCCC1 ZINC001464334881 1068710801 /nfs/dbraw/zinc/71/08/01/1068710801.db2.gz OSIQMCCDVPKTPH-UNMCSNQZSA-N 0 1 450.501 4.745 20 0 JJADMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccc(Cl)c(O)c1 ZINC001464349235 1068715121 /nfs/dbraw/zinc/71/51/21/1068715121.db2.gz ITRZTYRTSGAEME-UHFFFAOYSA-N 0 1 455.294 4.891 20 0 JJADMN CCCOc1ccc(CN(Cc2ccccc2)C(=O)C2CCC(N3CCOCC3)CC2)cc1 ZINC001546146765 1068738742 /nfs/dbraw/zinc/73/87/42/1068738742.db2.gz BKHOVDVMHIDPGM-UHFFFAOYSA-N 0 1 450.623 4.895 20 0 JJADMN CCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@H](C)c1cc2ccccc2o1 ZINC001464450255 1068750647 /nfs/dbraw/zinc/75/06/47/1068750647.db2.gz KQPCSQNLLFNDRW-QGZVFWFLSA-N 0 1 456.564 4.536 20 0 JJADMN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)c2)C1 ZINC001464571675 1068786192 /nfs/dbraw/zinc/78/61/92/1068786192.db2.gz BQECBZNVHPQSCH-PXNSSMCTSA-N 0 1 451.592 4.809 20 0 JJADMN CN1CCN(c2ncccc2CNC(=O)c2ccc(Nc3ccccc3C(C)(C)C)cc2)CC1 ZINC001464572708 1068786843 /nfs/dbraw/zinc/78/68/43/1068786843.db2.gz CGQSHZWRKHMCSI-UHFFFAOYSA-N 0 1 457.622 4.805 20 0 JJADMN COc1c(F)cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cc1F ZINC001464585416 1068792026 /nfs/dbraw/zinc/79/20/26/1068792026.db2.gz SLARWCKRSDJPGH-AWEZNQCLSA-N 0 1 450.212 4.862 20 0 JJADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)Cc3noc4ccc(Br)cc34)n2)cc1 ZINC001464632617 1068805105 /nfs/dbraw/zinc/80/51/05/1068805105.db2.gz LBNAKFGFJNWIQT-UHFFFAOYSA-N 0 1 454.328 4.854 20 0 JJADMN COc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)ccc1OC1CCCC1 ZINC001464640414 1068807914 /nfs/dbraw/zinc/80/79/14/1068807914.db2.gz VRAWWXFRNALAKR-UHFFFAOYSA-N 0 1 457.328 4.817 20 0 JJADMN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC001464673025 1068819788 /nfs/dbraw/zinc/81/97/88/1068819788.db2.gz FUYLXYSKUGWXRP-FXAWDEMLSA-N 0 1 455.603 4.507 20 0 JJADMN Cc1ccc([C@H](CNC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)N2CCCC2)o1 ZINC001464681603 1068822950 /nfs/dbraw/zinc/82/29/50/1068822950.db2.gz HTGCHPZQSKBFIR-VXKWHMMOSA-N 0 1 453.583 4.723 20 0 JJADMN Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000014634181 525765362 /nfs/dbraw/zinc/76/53/62/525765362.db2.gz KEBBGXWSKYCFBO-UHFFFAOYSA-N 0 1 450.545 4.567 20 0 JJADMN c1sc([C@H]2C[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@@H]3O2)nc1C1CC1 ZINC001164645067 719288327 /nfs/dbraw/zinc/28/83/27/719288327.db2.gz BGJQFYFGKUXVLC-GPUOULLFSA-N 0 1 458.631 4.940 20 0 JJADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)CC3)cs1 ZINC001164694559 719806140 /nfs/dbraw/zinc/80/61/40/719806140.db2.gz ZXUWXEILUJWIHB-UHFFFAOYSA-N 0 1 484.844 4.780 20 0 JJADMN COC(=O)C[C@H](c1ccnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1)C1CC1 ZINC001164692655 719812443 /nfs/dbraw/zinc/81/24/43/719812443.db2.gz QTONMAIYXWOJOV-QFIPXVFZSA-N 0 1 454.640 4.538 20 0 JJADMN Cc1nc(CN2CCCC23CCN(c2cc(-c4nc(C(C)(C)C)no4)ccn2)CC3)cs1 ZINC001164692177 719812796 /nfs/dbraw/zinc/81/27/96/719812796.db2.gz MYSVXYJOACQEJT-UHFFFAOYSA-N 0 1 452.628 4.829 20 0 JJADMN C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC4)CN(Cc4cccs4)CCO5)c32)C1 ZINC001164694695 719891974 /nfs/dbraw/zinc/89/19/74/719891974.db2.gz CICZPRDVXZIHPK-QGZVFWFLSA-N 0 1 454.665 4.749 20 0 JJADMN Clc1ccc2[nH]c3ncnc(N4CCC5(CC4)CN(Cc4cccs4)CCO5)c3c2c1 ZINC001164696179 719896872 /nfs/dbraw/zinc/89/68/72/719896872.db2.gz APMJEDCIJWUAKG-UHFFFAOYSA-N 0 1 453.999 4.697 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)[C@@H]2C ZINC001164858029 721014246 /nfs/dbraw/zinc/01/42/46/721014246.db2.gz FIETWGMYNLVAJS-MRXNPFEDSA-N 0 1 460.960 4.960 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164772759 721123238 /nfs/dbraw/zinc/12/32/38/721123238.db2.gz WKWZUMQPBILBBD-JWQCQUIFSA-N 0 1 450.590 4.502 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc(-c5ccc(-c6ccccc6)cc5)n4)C[C@H]3C2)cn1 ZINC001164772786 721135268 /nfs/dbraw/zinc/13/52/68/721135268.db2.gz WXWGCZJSDGVWNQ-BJKOFHAPSA-N 0 1 486.023 4.551 20 0 JJADMN Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164870181 721193293 /nfs/dbraw/zinc/19/32/93/721193293.db2.gz UDOAMRKVFJQSLW-SFTDATJTSA-N 0 1 485.966 4.525 20 0 JJADMN Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164870175 721193956 /nfs/dbraw/zinc/19/39/56/721193956.db2.gz UDOAMRKVFJQSLW-LEWJYISDSA-N 0 1 485.966 4.525 20 0 JJADMN COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)cnc2Cl)c1 ZINC001164763890 721246767 /nfs/dbraw/zinc/24/67/67/721246767.db2.gz NVXPTJVMCCTMTO-PMACEKPBSA-N 0 1 487.982 4.647 20 0 JJADMN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164762484 721247710 /nfs/dbraw/zinc/24/77/10/721247710.db2.gz LARDITWKIAHVEP-LEWJYISDSA-N 0 1 471.983 4.947 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@H]3C2)cn1 ZINC001164761461 721249294 /nfs/dbraw/zinc/24/92/94/721249294.db2.gz IMXIDCLBSAKNES-DLBZAZTESA-N 0 1 463.985 4.700 20 0 JJADMN COc1cccc2c(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)cc(Cl)nc12 ZINC001164776437 721331629 /nfs/dbraw/zinc/33/16/29/721331629.db2.gz FKAZRLPRRQHXKK-VWLOTQADSA-N 0 1 471.001 4.621 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164778627 721343109 /nfs/dbraw/zinc/34/31/09/721343109.db2.gz NLFUCBQVAHCJGD-DEOSSOPVSA-N 0 1 458.965 4.751 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)cc4c(Cl)ccnc43)C2)C1 ZINC001164778326 721348675 /nfs/dbraw/zinc/34/86/75/721348675.db2.gz MSVFHTMJPKFTPI-QHCPKHFHSA-N 0 1 476.408 4.660 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccc(Cl)c43)C2)C1 ZINC001164779080 721350858 /nfs/dbraw/zinc/35/08/58/721350858.db2.gz QIXWMBPZHTYWMS-HSZRJFAPSA-N 0 1 476.408 4.660 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164786990 721373194 /nfs/dbraw/zinc/37/31/94/721373194.db2.gz WNWNWHQAWRMAHM-RUZDIDTESA-N 0 1 455.002 4.920 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164784267 721373212 /nfs/dbraw/zinc/37/32/12/721373212.db2.gz RCNVMBIMSVTIHF-DEOSSOPVSA-N 0 1 458.965 4.751 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C3)O2)CC1 ZINC001164890497 721396339 /nfs/dbraw/zinc/39/63/39/721396339.db2.gz NQTPZXGHEBGFCX-ILBGXUMGSA-N 0 1 491.026 4.712 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164890920 721408633 /nfs/dbraw/zinc/40/86/33/721408633.db2.gz UILZIDJKTXSIRE-PDDLMNHVSA-N 0 1 483.660 4.576 20 0 JJADMN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164786496 721418477 /nfs/dbraw/zinc/41/84/77/721418477.db2.gz PBOCHMJJYNKDEP-HOTGVXAUSA-N 0 1 487.000 4.743 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887713 721419739 /nfs/dbraw/zinc/41/97/39/721419739.db2.gz MNVBXRNOPHPDDI-QDPGVEIFSA-N 0 1 492.067 4.716 20 0 JJADMN Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164890540 721419962 /nfs/dbraw/zinc/41/99/62/721419962.db2.gz SZCZRXQPTNONJE-ZTOMLWHTSA-N 0 1 489.639 4.510 20 0 JJADMN Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c3ccccc32)cc1C ZINC001164890251 721433986 /nfs/dbraw/zinc/43/39/86/721433986.db2.gz CSMJMXNTEQUHPQ-SETSBSEESA-N 0 1 485.676 4.679 20 0 JJADMN Cc1sc2nc(-c3cccs3)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164898668 721434814 /nfs/dbraw/zinc/43/48/14/721434814.db2.gz WINMSNYVUOKIIF-RXFWQSSRSA-N 0 1 497.734 4.802 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C3)O2)CC1 ZINC001164898711 721444316 /nfs/dbraw/zinc/44/43/16/721444316.db2.gz WPFDZLONRIQFBS-OFSOJUDTSA-N 0 1 499.659 4.701 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C3)O2)CC1 ZINC001164889721 721453597 /nfs/dbraw/zinc/45/35/97/721453597.db2.gz PNVHNNDNDDFDCD-AUSIDOKSSA-N 0 1 497.055 4.774 20 0 JJADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)CCN3C2)c1 ZINC001164910232 721561887 /nfs/dbraw/zinc/56/18/87/721561887.db2.gz WBHRVMZMWQTPHQ-TZIWHRDSSA-N 0 1 474.914 4.823 20 0 JJADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)CCN3C2)c1 ZINC001164905946 721562117 /nfs/dbraw/zinc/56/21/17/721562117.db2.gz IEDRGGGXDDDLAN-CTNGQTDRSA-N 0 1 474.914 4.823 20 0 JJADMN Cc1nc(-c2ccccc2Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164811495 721585358 /nfs/dbraw/zinc/58/53/58/721585358.db2.gz XUBIPKIWRIHLOX-KMDXXIMOSA-N 0 1 464.013 4.677 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164804132 721585995 /nfs/dbraw/zinc/58/59/95/721585995.db2.gz IXPVHWBNIXLIRU-MZKRTTBSSA-N 0 1 482.053 4.610 20 0 JJADMN FC1(F)CCN(c2ccc(-c3ccc(Cl)cc3)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904092 721586813 /nfs/dbraw/zinc/58/68/13/721586813.db2.gz CVQWJFNFEDNNTP-QHCPKHFHSA-N 0 1 455.940 4.930 20 0 JJADMN CCOC(=O)c1cnc(Cl)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1Cl ZINC001164908489 721694283 /nfs/dbraw/zinc/69/42/83/721694283.db2.gz ZLJAPAOFZWMZKF-NRFANRHFSA-N 0 1 485.362 4.698 20 0 JJADMN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906197 721717235 /nfs/dbraw/zinc/71/72/35/721717235.db2.gz KWVCERMXNPTIEQ-NRFANRHFSA-N 0 1 495.908 4.841 20 0 JJADMN FC1(F)CCN(c2nc3ccccc3nc2N2CCCCC2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904879 721722236 /nfs/dbraw/zinc/72/22/36/721722236.db2.gz FEGQMBKPMWHZEX-AREMUKBSSA-N 0 1 478.591 4.753 20 0 JJADMN FC1(F)CCN(c2nccc(SCc3ccccc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164909828 721733437 /nfs/dbraw/zinc/73/34/37/721733437.db2.gz DVJSBXKQLCFEDG-DEOSSOPVSA-N 0 1 467.589 4.902 20 0 JJADMN COC(=O)c1ccc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c(Cl)n1 ZINC001165016939 721767749 /nfs/dbraw/zinc/76/77/49/721767749.db2.gz ZABBMGWWXVTWQA-UHFFFAOYSA-N 0 1 458.852 4.578 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC3)C2)cc1 ZINC001164940071 721921126 /nfs/dbraw/zinc/92/11/26/721921126.db2.gz YLOABXYUVSBQNM-UHFFFAOYSA-N 0 1 457.352 4.508 20 0 JJADMN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164940002 721922274 /nfs/dbraw/zinc/92/22/74/721922274.db2.gz XWGNKKWIDQRUFF-UHFFFAOYSA-N 0 1 469.001 4.577 20 0 JJADMN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2 ZINC001164940967 721925118 /nfs/dbraw/zinc/92/51/18/721925118.db2.gz XLSYXJHOURSSHQ-UHFFFAOYSA-N 0 1 492.645 4.562 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc5c(Cl)nccc54)CC3)C2)cc1 ZINC001164940716 721930291 /nfs/dbraw/zinc/93/02/91/721930291.db2.gz YLNJRWCCWATCIO-UHFFFAOYSA-N 0 1 458.393 4.511 20 0 JJADMN c1csc(-c2csc3ncnc(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)c23)c1 ZINC001164958700 722054395 /nfs/dbraw/zinc/05/43/95/722054395.db2.gz FFBYKOSLLLZHNP-UHFFFAOYSA-N 0 1 477.659 4.934 20 0 JJADMN Cc1cncc(COCc2cnc3n2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)[C@H]3C)c1 ZINC001164966355 722062918 /nfs/dbraw/zinc/06/29/18/722062918.db2.gz RLOWIKSJYBCYLG-QHCPKHFHSA-N 0 1 494.643 4.838 20 0 JJADMN CC(C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359719120 1064266681 /nfs/dbraw/zinc/26/66/81/1064266681.db2.gz CTSNODSJBNIEEJ-HBMCJLEFSA-N 0 1 465.564 4.551 20 0 JJADMN CC(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCCN2CCOCC2)C1 ZINC001359738889 1064303804 /nfs/dbraw/zinc/30/38/04/1064303804.db2.gz GSMFGSDMPWOHMK-GOSISDBHSA-N 0 1 466.457 4.847 20 0 JJADMN O=C(Nc1nc(-c2cccc(Cl)c2)n[nH]1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC001434902750 1064330587 /nfs/dbraw/zinc/33/05/87/1064330587.db2.gz VQKRXOZISCSZQE-UHFFFAOYSA-N 0 1 450.236 4.549 20 0 JJADMN CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCS1 ZINC001359749355 1064337116 /nfs/dbraw/zinc/33/71/16/1064337116.db2.gz PFQKWDDSXREWQA-FCHUYYIVSA-N 0 1 471.074 4.874 20 0 JJADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(-c2cccc(Br)c2)no1 ZINC001434922805 1064351286 /nfs/dbraw/zinc/35/12/86/1064351286.db2.gz SJOLDVLIDSIOLQ-UHFFFAOYSA-N 0 1 458.381 4.905 20 0 JJADMN CC(C)CC(=O)Nc1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(C)C)CC2)c1 ZINC001359763190 1064378727 /nfs/dbraw/zinc/37/87/27/1064378727.db2.gz 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457.569 4.915 20 0 JJADMN COc1ccc(CN(C(=O)c2ccnc(Br)c2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC001359886096 1064581379 /nfs/dbraw/zinc/58/13/79/1064581379.db2.gz CSJMOKIONBQREG-UHFFFAOYSA-N 0 1 451.324 4.884 20 0 JJADMN CC(C)CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001359914979 1064635639 /nfs/dbraw/zinc/63/56/39/1064635639.db2.gz SHGDALIYHLPGPY-RTBURBONSA-N 0 1 478.479 4.689 20 0 JJADMN CC(C)CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001359920775 1064645137 /nfs/dbraw/zinc/64/51/37/1064645137.db2.gz IZBJHZLKKOMRBW-OALUTQOASA-N 0 1 463.617 4.517 20 0 JJADMN CC(C)CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 ZINC001359923167 1064650360 /nfs/dbraw/zinc/65/03/60/1064650360.db2.gz AFSXDCQLRZNFAK-HSZRJFAPSA-N 0 1 460.066 4.970 20 0 JJADMN CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H]3C)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001359952092 1064713305 /nfs/dbraw/zinc/71/33/05/1064713305.db2.gz MRGXUNBOLUWTGV-WIOPSUGQSA-N 0 1 469.674 4.716 20 0 JJADMN CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](c2ccco2)N(C)C)cc1 ZINC001359952337 1064714463 /nfs/dbraw/zinc/71/44/63/1064714463.db2.gz TWVNWPBWRLDCGN-URXFXBBRSA-N 0 1 481.641 4.881 20 0 JJADMN CC(C)CCOc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](c2ccco2)N(C)C)cc1 ZINC001359952338 1064714753 /nfs/dbraw/zinc/71/47/53/1064714753.db2.gz TWVNWPBWRLDCGN-XUZZJYLKSA-N 0 1 481.641 4.881 20 0 JJADMN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)n1 ZINC001435351228 1064717234 /nfs/dbraw/zinc/71/72/34/1064717234.db2.gz YWFBDCFYXAALKJ-IBGZPJMESA-N 0 1 456.546 4.868 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)C1 ZINC001359966221 1064741591 /nfs/dbraw/zinc/74/15/91/1064741591.db2.gz NPZITTZKUDVBHY-FOIQADDNSA-N 0 1 456.493 4.903 20 0 JJADMN Cc1cc(=O)c(C(=O)Nc2cc(-c3nc4ccc(Br)cc4[nH]3)ccc2Cl)c[nH]1 ZINC001435412263 1064744744 /nfs/dbraw/zinc/74/47/44/1064744744.db2.gz IADMXZSYXDPDCD-UHFFFAOYSA-N 0 1 457.715 4.895 20 0 JJADMN COc1ccc(Sc2nsc(NC(=O)c3c(F)ccc(Br)c3F)n2)cc1 ZINC001435431123 1064752726 /nfs/dbraw/zinc/75/27/26/1064752726.db2.gz DVPKYNUTWICQIR-UHFFFAOYSA-N 0 1 458.309 4.991 20 0 JJADMN CN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001435448905 1064763610 /nfs/dbraw/zinc/76/36/10/1064763610.db2.gz GQTBYPCHOGSXTD-LJQANCHMSA-N 0 1 457.496 4.913 20 0 JJADMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1 ZINC001545891220 1064779536 /nfs/dbraw/zinc/77/95/36/1064779536.db2.gz VDCYHEKULPDMEJ-NRFANRHFSA-N 0 1 456.011 4.963 20 0 JJADMN CC(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CCc2cccs2)CC1 ZINC001359997625 1064783305 /nfs/dbraw/zinc/78/33/05/1064783305.db2.gz MGWIKGUCEZFWHZ-UHFFFAOYSA-N 0 1 492.462 4.929 20 0 JJADMN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccn(-c2ccncc2)n1 ZINC001435501794 1064792228 /nfs/dbraw/zinc/79/22/28/1064792228.db2.gz FYRSCNAFUPUNMW-OAQYLSRUSA-N 0 1 451.299 4.688 20 0 JJADMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@H](C)CC2)C1 ZINC001360034238 1064837950 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JKSLKTRVHACNEP-QFIPXVFZSA-N 0 1 462.107 4.976 20 0 JJADMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749361 1064972316 /nfs/dbraw/zinc/97/23/16/1064972316.db2.gz MOPJGCZEYRLCQJ-YHEJKZAPSA-N 0 1 457.981 4.926 20 0 JJADMN CN1CC[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749530 1064973226 /nfs/dbraw/zinc/97/32/26/1064973226.db2.gz NSWDWOJUALHIMO-HOYKHHGWSA-N 0 1 458.002 4.878 20 0 JJADMN Cc1cc(Br)c(CC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC001435749998 1064973775 /nfs/dbraw/zinc/97/37/75/1064973775.db2.gz WPFBHIMJYSQTOG-DJJJIMSYSA-N 0 1 459.812 4.963 20 0 JJADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001435759211 1064979769 /nfs/dbraw/zinc/97/97/69/1064979769.db2.gz FINZIOPUQHWXSN-QGZVFWFLSA-N 0 1 455.292 4.819 20 0 JJADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC001435759209 1064979940 /nfs/dbraw/zinc/97/99/40/1064979940.db2.gz FINZIOPUQHWXSN-KRWDZBQOSA-N 0 1 455.292 4.819 20 0 JJADMN O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC001435875725 1065038720 /nfs/dbraw/zinc/03/87/20/1065038720.db2.gz MNESJVIYQGATDA-LJQANCHMSA-N 0 1 453.435 4.886 20 0 JJADMN CC(C)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCSC2)CC1 ZINC001360149350 1065052663 /nfs/dbraw/zinc/05/26/63/1065052663.db2.gz LJXMVIFFZGPOEI-INIZCTEOSA-N 0 1 482.467 4.520 20 0 JJADMN CC(C)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001360150259 1065053592 /nfs/dbraw/zinc/05/35/92/1065053592.db2.gz WWSCHXQZKNMGAA-OAHLLOKOSA-N 0 1 486.380 4.813 20 0 JJADMN CC(C)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(F)CCC2)CC1 ZINC001360150207 1065053753 /nfs/dbraw/zinc/05/37/53/1065053753.db2.gz VKNGSEUXWSUBGZ-UHFFFAOYSA-N 0 1 468.390 4.659 20 0 JJADMN CC(C)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360152629 1065055563 /nfs/dbraw/zinc/05/55/63/1065055563.db2.gz RHRLDIDOUOBYCS-FYYLOGMGSA-N 0 1 471.665 4.768 20 0 JJADMN CC(C)N1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)CC1 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Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001360411506 1065275367 /nfs/dbraw/zinc/27/53/67/1065275367.db2.gz BTJHZZVDNFULMB-NRFANRHFSA-N 0 1 451.567 4.842 20 0 JJADMN CCCN(C)c1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)cc1 ZINC001436258964 1065278033 /nfs/dbraw/zinc/27/80/33/1065278033.db2.gz MWRWZRNPRKCPGF-QGZVFWFLSA-N 0 1 459.432 4.688 20 0 JJADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cccc(-n2cccc2)c1 ZINC001436259705 1065278640 /nfs/dbraw/zinc/27/86/40/1065278640.db2.gz WTEISOROJSJTFE-KRWDZBQOSA-N 0 1 453.384 4.632 20 0 JJADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC001436259701 1065278663 /nfs/dbraw/zinc/27/86/63/1065278663.db2.gz WPSSBHCTECAWAV-LLVKDONJSA-N 0 1 458.734 4.773 20 0 JJADMN CCN1CCC(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)(C(F)(F)F)CC1 ZINC001436456422 1065322924 /nfs/dbraw/zinc/32/29/24/1065322924.db2.gz WSLPLBGQXQXFKJ-UHFFFAOYSA-N 0 1 458.484 4.859 20 0 JJADMN Cc1ccc2nc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)ccc3Cl)[nH]c2c1 ZINC001436519969 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CCc1ccccc1O[C@@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC001441213206 1066015582 /nfs/dbraw/zinc/01/55/82/1066015582.db2.gz XRISSQRHJIAICE-MUUNZHRXSA-N 0 1 457.618 4.698 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)c1C ZINC001360875785 1066019654 /nfs/dbraw/zinc/01/96/54/1066019654.db2.gz YWOGDSNSHGGAHB-ZEQRLZLVSA-N 0 1 469.674 4.772 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)C)CC3)n2CCSCC(C)C)c1C ZINC001360878428 1066025994 /nfs/dbraw/zinc/02/59/94/1066025994.db2.gz VDQXCGAEBAROKU-QFIPXVFZSA-N 0 1 459.704 4.955 20 0 JJADMN Cc1cccc(O[C@@H](C)c2nnc(N3CCN4CCCC[C@H]4C3)n2CCOCCC(C)C)c1C ZINC001360878676 1066026910 /nfs/dbraw/zinc/02/69/10/1066026910.db2.gz YDOYJTLMOGGMSU-ZEQRLZLVSA-N 0 1 469.674 4.772 20 0 JJADMN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC001441323592 1066028449 /nfs/dbraw/zinc/02/84/49/1066028449.db2.gz CZASTBDEIAECIT-PKTZIBPZSA-N 0 1 458.002 4.544 20 0 JJADMN 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JCOBLXGTCILBAW-OALUTQOASA-N 0 1 457.537 4.508 20 0 JJADMN CCN(CC)[C@@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC001360967619 1066124949 /nfs/dbraw/zinc/12/49/49/1066124949.db2.gz JCOBLXGTCILBAW-RBUKOAKNSA-N 0 1 457.537 4.508 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccsc2-n2c(C)ccc2C)CC1 ZINC001442550170 1066136214 /nfs/dbraw/zinc/13/62/14/1066136214.db2.gz XQVWSWVQDBVUJZ-LJQANCHMSA-N 0 1 454.615 4.928 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccsc2-n2c(C)ccc2C)CC1 ZINC001442550169 1066136277 /nfs/dbraw/zinc/13/62/77/1066136277.db2.gz XQVWSWVQDBVUJZ-IBGZPJMESA-N 0 1 454.615 4.928 20 0 JJADMN CC(C)(C)c1nc2ccc(NC(=O)c3cc(F)c(F)cc3I)cc2[nH]1 ZINC001442613759 1066145244 /nfs/dbraw/zinc/14/52/44/1066145244.db2.gz PHONQRUUMJXWLX-UHFFFAOYSA-N 0 1 455.246 4.996 20 0 JJADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cnc(OC4CCOCC4)c(Cl)c3)n2)cc1 ZINC001442724681 1066155720 /nfs/dbraw/zinc/15/57/20/1066155720.db2.gz UTCDFJACHFWTEL-UHFFFAOYSA-N 0 1 455.946 4.628 20 0 JJADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)n2)cc1 ZINC001442724229 1066155739 /nfs/dbraw/zinc/15/57/39/1066155739.db2.gz RNFJJMMXJPUTAZ-UHFFFAOYSA-N 0 1 451.424 4.696 20 0 JJADMN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)N(C)C ZINC001360986939 1066156005 /nfs/dbraw/zinc/15/60/05/1066156005.db2.gz PVOMKEPSXUGTJR-OAQYLSRUSA-N 0 1 492.649 4.518 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2C)c1 ZINC001442746453 1066156412 /nfs/dbraw/zinc/15/64/12/1066156412.db2.gz JSZRHNYWQWWMDI-WBVHZDCISA-N 0 1 450.988 4.706 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1Cc1ccc(F)cn1 ZINC001360991242 1066169498 /nfs/dbraw/zinc/16/94/98/1066169498.db2.gz ATYGHBCUYUGPBS-IBGZPJMESA-N 0 1 487.023 4.801 20 0 JJADMN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C3CCC3)CC2)n1CCOCC(F)F ZINC001360992657 1066172013 /nfs/dbraw/zinc/17/20/13/1066172013.db2.gz QMFJMFPFCLSGGU-GOSISDBHSA-N 0 1 498.018 4.645 20 0 JJADMN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)c(C)c1 ZINC001361011975 1066196080 /nfs/dbraw/zinc/19/60/80/1066196080.db2.gz KRPQJYMXGRFCFA-UHFFFAOYSA-N 0 1 494.709 4.696 20 0 JJADMN Cc1cc(C)c(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN2CCc3sccc3C2)c(C)c1 ZINC001361011975 1066196083 /nfs/dbraw/zinc/19/60/83/1066196083.db2.gz KRPQJYMXGRFCFA-UHFFFAOYSA-N 0 1 494.709 4.696 20 0 JJADMN Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC001453964952 1066226247 /nfs/dbraw/zinc/22/62/47/1066226247.db2.gz YOJHYOJSQMPFNI-UHFFFAOYSA-N 0 1 450.667 4.863 20 0 JJADMN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)s2)c1 ZINC001442924832 1066241473 /nfs/dbraw/zinc/24/14/73/1066241473.db2.gz OQXSIIRXLYVLIM-UHFFFAOYSA-N 0 1 452.923 4.816 20 0 JJADMN Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)ccc1N1CCSCC1 ZINC001442934194 1066243796 /nfs/dbraw/zinc/24/37/96/1066243796.db2.gz QQYKCTFBVJRBEN-UHFFFAOYSA-N 0 1 457.397 4.953 20 0 JJADMN O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)[C@H]1CCc2[nH]cnc2C1 ZINC001442963042 1066247064 /nfs/dbraw/zinc/24/70/64/1066247064.db2.gz DGFVZBHDPNQZBB-LBPRGKRZSA-N 0 1 451.395 4.920 20 0 JJADMN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001454222350 1066255793 /nfs/dbraw/zinc/25/57/93/1066255793.db2.gz RJECOCHOAJMZLQ-DJJJIMSYSA-N 0 1 458.946 4.668 20 0 JJADMN Cc1c(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)cccc1C(=O)N1CCCC1 ZINC001443043300 1066257435 /nfs/dbraw/zinc/25/74/35/1066257435.db2.gz LFRBCHYJHOHMSA-UHFFFAOYSA-N 0 1 458.440 4.772 20 0 JJADMN CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cnc(I)c(O)c1 ZINC001443067928 1066262704 /nfs/dbraw/zinc/26/27/04/1066262704.db2.gz DLCFXEMWBTWQMF-QGZVFWFLSA-N 0 1 452.336 4.655 20 0 JJADMN CCCc1c(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001454312427 1066268831 /nfs/dbraw/zinc/26/88/31/1066268831.db2.gz MLEYBLSIVOTLFP-HSZRJFAPSA-N 0 1 459.638 4.830 20 0 JJADMN O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001546060604 1066275797 /nfs/dbraw/zinc/27/57/97/1066275797.db2.gz DKNIYOWFFORCRX-OAHLLOKOSA-N 0 1 451.832 4.922 20 0 JJADMN Cc1cc(C)c2c(c1)N(C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)CCC2 ZINC001443167768 1066276497 /nfs/dbraw/zinc/27/64/97/1066276497.db2.gz SIAAEPLDRGZVLD-QHCPKHFHSA-N 0 1 451.611 4.608 20 0 JJADMN Cc1csc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1I ZINC001443173062 1066277489 /nfs/dbraw/zinc/27/74/89/1066277489.db2.gz YQCMGPNSCHSODN-MRXNPFEDSA-N 0 1 454.377 4.618 20 0 JJADMN C[C@]1(CNC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C[C@H]2C[C@H]2C1 ZINC001454552530 1066300644 /nfs/dbraw/zinc/30/06/44/1066300644.db2.gz GJILSQRJELULGT-PBFBIOBFSA-N 0 1 453.391 4.960 20 0 JJADMN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC001443359961 1066301752 /nfs/dbraw/zinc/30/17/52/1066301752.db2.gz VCNLBIGULOFKHI-UNMCSNQZSA-N 0 1 453.936 4.704 20 0 JJADMN Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)N(C)C)no1 ZINC001361063519 1066302831 /nfs/dbraw/zinc/30/28/31/1066302831.db2.gz LNYPYDIJBUGKHT-NRFANRHFSA-N 0 1 471.030 4.820 20 0 JJADMN CC(C)(C)n1ncc(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)c1Br ZINC001443383670 1066304256 /nfs/dbraw/zinc/30/42/56/1066304256.db2.gz CUGRUDIMSZMIJQ-UHFFFAOYSA-N 0 1 459.392 4.515 20 0 JJADMN C[C@@H](CNC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC001443435064 1066310743 /nfs/dbraw/zinc/31/07/43/1066310743.db2.gz ZAXIRFQNTOJLAG-INIZCTEOSA-N 0 1 452.451 4.758 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)CCC(=O)c2c(F)cccc2F)cc1 ZINC001454633524 1066313295 /nfs/dbraw/zinc/31/32/95/1066313295.db2.gz LSEGFSLOCUGRKH-WIOPSUGQSA-N 0 1 478.539 4.721 20 0 JJADMN CN1CCN(c2ccnc(NC(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001454651681 1066314871 /nfs/dbraw/zinc/31/48/71/1066314871.db2.gz ZLTYQEJIOAHTSP-UHFFFAOYSA-N 0 1 458.459 4.911 20 0 JJADMN CCc1c(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)[nH]nc1-c1ccc(Br)cc1 ZINC001443493597 1066318185 /nfs/dbraw/zinc/31/81/85/1066318185.db2.gz ACDPJQVDAVXQJF-GFCCVEGCSA-N 0 1 451.365 4.643 20 0 JJADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001443534384 1066325292 /nfs/dbraw/zinc/32/52/92/1066325292.db2.gz AZHJYGVISHJRSG-QGZVFWFLSA-N 0 1 456.618 4.535 20 0 JJADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC001443535256 1066326161 /nfs/dbraw/zinc/32/61/61/1066326161.db2.gz WXQMTCNNXDFKQH-KSSFIOAISA-N 0 1 455.584 4.891 20 0 JJADMN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001443557025 1066329024 /nfs/dbraw/zinc/32/90/24/1066329024.db2.gz YZFUPEPGAQBTSP-HSZRJFAPSA-N 0 1 451.611 4.766 20 0 JJADMN COc1ccc2oc([C@H](C)NC(=O)c3cccc(I)c3O)c(C)c2c1 ZINC001443574845 1066329845 /nfs/dbraw/zinc/32/98/45/1066329845.db2.gz AUNOAWDKECDUQI-NSHDSACASA-N 0 1 451.260 4.551 20 0 JJADMN C[C@@H](C(=O)NCc1cc(F)c(Br)cc1F)N1CCC(Cc2ccccc2)CC1 ZINC001454741247 1066329989 /nfs/dbraw/zinc/32/99/89/1066329989.db2.gz ZOHVCFQBWYSTKC-HNNXBMFYSA-N 0 1 451.355 4.687 20 0 JJADMN Cc1ccc(C)n1-c1nc(CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cs1 ZINC001443582272 1066332439 /nfs/dbraw/zinc/33/24/39/1066332439.db2.gz SUSSTKXHJCXMGK-UHFFFAOYSA-N 0 1 457.043 4.775 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CCC(c2ccc(F)cc2)CC1 ZINC001454830962 1066336097 /nfs/dbraw/zinc/33/60/97/1066336097.db2.gz KJGYCJBQJDSAFJ-UHFFFAOYSA-N 0 1 453.583 4.791 20 0 JJADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC001443604767 1066336083 /nfs/dbraw/zinc/33/60/83/1066336083.db2.gz YWDZNELWEFUIFG-QGZVFWFLSA-N 0 1 458.027 4.744 20 0 JJADMN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)C)CC2)n1C[C@@H]1CCCSC1 ZINC001361092041 1066342661 /nfs/dbraw/zinc/34/26/61/1066342661.db2.gz YQWIEQHVNQZVTJ-NRFANRHFSA-N 0 1 492.133 4.925 20 0 JJADMN COc1ccc(-c2n[nH]c(CNC(=O)c3oc4c(cc(Br)cc4C)c3C)n2)cc1 ZINC001443686567 1066350635 /nfs/dbraw/zinc/35/06/35/1066350635.db2.gz LCLXHUKEIRGKMA-UHFFFAOYSA-N 0 1 455.312 4.536 20 0 JJADMN COc1ccc(-c2nc(CNC(=O)c3oc4c(cc(Br)cc4C)c3C)n[nH]2)cc1 ZINC001443686567 1066350642 /nfs/dbraw/zinc/35/06/42/1066350642.db2.gz LCLXHUKEIRGKMA-UHFFFAOYSA-N 0 1 455.312 4.536 20 0 JJADMN O=C(c1cc(Cl)c(F)cc1Br)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001455314232 1066382989 /nfs/dbraw/zinc/38/29/89/1066382989.db2.gz JEYQAKXFUYOLEF-GOSISDBHSA-N 0 1 452.686 4.892 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncsc3C3CC3)ccc2OC)cc1 ZINC001455350033 1066384492 /nfs/dbraw/zinc/38/44/92/1066384492.db2.gz RQYUEXYZPVWXCC-UHFFFAOYSA-N 0 1 457.577 4.645 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@@H](C(C)C)C2)n1 ZINC001361128569 1066392942 /nfs/dbraw/zinc/39/29/42/1066392942.db2.gz ZMODLQDIKUIIKF-OAQYLSRUSA-N 0 1 465.646 4.831 20 0 JJADMN Cc1nnc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCC[C@@H](C(C)C)C2)[nH]1 ZINC001361128569 1066392959 /nfs/dbraw/zinc/39/29/59/1066392959.db2.gz ZMODLQDIKUIIKF-OAQYLSRUSA-N 0 1 465.646 4.831 20 0 JJADMN COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cc1 ZINC001444018838 1066394984 /nfs/dbraw/zinc/39/49/84/1066394984.db2.gz VGVVNDQQGOMIGY-UHFFFAOYSA-N 0 1 451.567 4.834 20 0 JJADMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001361131187 1066398420 /nfs/dbraw/zinc/39/84/20/1066398420.db2.gz BAPUPWMBHCPNDU-REWPJTCUSA-N 0 1 483.682 4.878 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccc(F)cc2C)c1 ZINC001455536566 1066406516 /nfs/dbraw/zinc/40/65/16/1066406516.db2.gz ITDLNUDIQBGHLW-QGZVFWFLSA-N 0 1 456.539 4.743 20 0 JJADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(OCc2ccncc2)cc1 ZINC001444140282 1066414518 /nfs/dbraw/zinc/41/45/18/1066414518.db2.gz RDDYDMSKMGHDJY-QFIPXVFZSA-N 0 1 455.480 4.684 20 0 JJADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(NCc2ccccn2)c1 ZINC001444141858 1066414661 /nfs/dbraw/zinc/41/46/61/1066414661.db2.gz VQTQLKCBKPSJSF-HSZRJFAPSA-N 0 1 454.496 4.717 20 0 JJADMN Cc1ccc(N(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001455787135 1066430744 /nfs/dbraw/zinc/43/07/44/1066430744.db2.gz LWEAWPJAZKMBQK-XMMPIXPASA-N 0 1 451.611 4.906 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001361146250 1066432391 /nfs/dbraw/zinc/43/23/91/1066432391.db2.gz XNOVBXNYGALNAK-HSZRJFAPSA-N 0 1 476.650 4.870 20 0 JJADMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC001444346068 1066452598 /nfs/dbraw/zinc/45/25/98/1066452598.db2.gz JMKWQPRRMLVAHN-UHFFFAOYSA-N 0 1 458.484 4.797 20 0 JJADMN Cc1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])ccc1OCC[NH+]1CCCC1 ZINC001444357737 1066454461 /nfs/dbraw/zinc/45/44/61/1066454461.db2.gz XCTOXHFMQJJCGV-UHFFFAOYSA-N 0 1 455.555 4.775 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c1 ZINC001444362540 1066455261 /nfs/dbraw/zinc/45/52/61/1066455261.db2.gz MVMQSGSBTRZHPX-IBGZPJMESA-N 0 1 452.576 4.508 20 0 JJADMN CC[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546077891 1066460053 /nfs/dbraw/zinc/46/00/53/1066460053.db2.gz XQMBLRDPFFLMJU-RZIGYZOXSA-N 0 1 483.701 4.586 20 0 JJADMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC001444412284 1066460101 /nfs/dbraw/zinc/46/01/01/1066460101.db2.gz RLXKPURJHYPIOU-INIZCTEOSA-N 0 1 458.923 4.779 20 0 JJADMN Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCC4)CC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361160009 1066466567 /nfs/dbraw/zinc/46/65/67/1066466567.db2.gz RHPUXYCJOCHAPP-UHFFFAOYSA-N 0 1 465.564 4.737 20 0 JJADMN CCCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509022 1066470203 /nfs/dbraw/zinc/47/02/03/1066470203.db2.gz PXFJLQXROMVVFY-YWZLYKJASA-N 0 1 453.414 4.790 20 0 JJADMN CCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444516341 1066472680 /nfs/dbraw/zinc/47/26/80/1066472680.db2.gz SKMJFORERDBMJB-CYBMUJFWSA-N 0 1 459.395 4.563 20 0 JJADMN CCCOc1cccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)c1 ZINC001444574506 1066478774 /nfs/dbraw/zinc/47/87/74/1066478774.db2.gz WZGYIOKMDXVZJY-UHFFFAOYSA-N 0 1 451.527 4.538 20 0 JJADMN CCCOc1cccc(C(=O)Nc2ccc(-c3nc(CNC(=O)OC(C)(C)C)n[nH]3)cc2)c1 ZINC001444574506 1066478781 /nfs/dbraw/zinc/47/87/81/1066478781.db2.gz WZGYIOKMDXVZJY-UHFFFAOYSA-N 0 1 451.527 4.538 20 0 JJADMN COc1ccc(-c2n[nH]c(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)n2)cc1OC ZINC001444589147 1066479469 /nfs/dbraw/zinc/47/94/69/1066479469.db2.gz WXHLDGLWYDECPV-UHFFFAOYSA-N 0 1 456.502 4.589 20 0 JJADMN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cn[nH]c1-c1ccc(Cl)s1 ZINC001444602684 1066480737 /nfs/dbraw/zinc/48/07/37/1066480737.db2.gz BKCCAXAWOAMLLB-UHFFFAOYSA-N 0 1 451.257 4.668 20 0 JJADMN CCCCOCCN(C(=O)c1ccc(Cc2nc[nH]n2)cc1)c1cccc(Br)c1 ZINC001444613605 1066482724 /nfs/dbraw/zinc/48/27/24/1066482724.db2.gz DAKPEZBEBKFHTQ-UHFFFAOYSA-N 0 1 457.372 4.622 20 0 JJADMN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)o1 ZINC001361171470 1066487142 /nfs/dbraw/zinc/48/71/42/1066487142.db2.gz UTTUFLDBAPIBSW-KNQAVFIVSA-N 0 1 455.578 4.540 20 0 JJADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)c1C ZINC001456041777 1066488741 /nfs/dbraw/zinc/48/87/41/1066488741.db2.gz WYSRFPKCQIEQOI-BFMBIBTESA-N 0 1 459.675 4.607 20 0 JJADMN Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361175678 1066493489 /nfs/dbraw/zinc/49/34/89/1066493489.db2.gz UQJLWZYXHMKWLN-FCEUIQTBSA-N 0 1 465.642 4.974 20 0 JJADMN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)o1 ZINC001444847395 1066511507 /nfs/dbraw/zinc/51/15/07/1066511507.db2.gz HBXQFWANCNWBAU-FIKGOQFSSA-N 0 1 456.587 4.903 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC001444854521 1066513620 /nfs/dbraw/zinc/51/36/20/1066513620.db2.gz ZZKMFDKHCAXSMS-BJKOFHAPSA-N 0 1 451.611 4.856 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191614 1066518656 /nfs/dbraw/zinc/51/86/56/1066518656.db2.gz ADOPJVPIDPVSKD-DNQXCXABSA-N 0 1 451.611 4.590 20 0 JJADMN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191616 1066518723 /nfs/dbraw/zinc/51/87/23/1066518723.db2.gz ADOPJVPIDPVSKD-ZEQRLZLVSA-N 0 1 451.611 4.590 20 0 JJADMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001361191613 1066518819 /nfs/dbraw/zinc/51/88/19/1066518819.db2.gz ADOPJVPIDPVSKD-BJKOFHAPSA-N 0 1 451.611 4.590 20 0 JJADMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc(-c2cccc(Br)c2)no1 ZINC001456147885 1066522053 /nfs/dbraw/zinc/52/20/53/1066522053.db2.gz OPCCZZUXKPDIBW-UHFFFAOYSA-N 0 1 459.300 4.938 20 0 JJADMN Cc1ccc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](c2ccccc2Cl)N(C)C)o1 ZINC001361195719 1066522825 /nfs/dbraw/zinc/52/28/25/1066522825.db2.gz FENDEKVFDDJVDP-ZAAXVRCTSA-N 0 1 497.949 4.959 20 0 JJADMN Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H](c2ccccc2Cl)N(C)C)o1 ZINC001361204188 1066534726 /nfs/dbraw/zinc/53/47/26/1066534726.db2.gz PDYSDGUUOAHHTD-QFIPXVFZSA-N 0 1 472.033 4.792 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)C1 ZINC001445083620 1066537451 /nfs/dbraw/zinc/53/74/51/1066537451.db2.gz SJCVPFAXOLBKNU-LJQANCHMSA-N 0 1 456.587 4.965 20 0 JJADMN CCN(CC)[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001456215331 1066539058 /nfs/dbraw/zinc/53/90/58/1066539058.db2.gz SGNXUEWULXGIDS-RTBURBONSA-N 0 1 457.537 4.556 20 0 JJADMN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC001445093565 1066538994 /nfs/dbraw/zinc/53/89/94/1066538994.db2.gz TXEKWTRKRDEUON-HXUWFJFHSA-N 0 1 453.999 4.866 20 0 JJADMN COc1ccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c(OC2CCCC2)c1 ZINC001445243166 1066548983 /nfs/dbraw/zinc/54/89/83/1066548983.db2.gz WOEUJEROXUJYME-UHFFFAOYSA-N 0 1 452.580 4.519 20 0 JJADMN Cc1ccc(-c2nnc(N3CCCC3(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)cc1Br ZINC001361214057 1066549595 /nfs/dbraw/zinc/54/95/95/1066549595.db2.gz HRZVGBVYXCKLDL-FQEVSTJZSA-N 0 1 490.490 4.752 20 0 JJADMN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CC1=O ZINC001445270213 1066550584 /nfs/dbraw/zinc/55/05/84/1066550584.db2.gz JUAFYIVTDRENQW-RVGROTJQSA-N 0 1 453.671 4.912 20 0 JJADMN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001445270215 1066550823 /nfs/dbraw/zinc/55/08/23/1066550823.db2.gz JURJSHKCMIACDX-AJEPASEPSA-N 0 1 451.696 4.923 20 0 JJADMN CC(C)C1CCC(N2CCN(C(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)CC2)CC1 ZINC001445273402 1066551311 /nfs/dbraw/zinc/55/13/11/1066551311.db2.gz RCBRLCFKZIXLIF-UHFFFAOYSA-N 0 1 455.643 4.910 20 0 JJADMN CCCc1c(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)nnn1-c1cccc(Cl)c1 ZINC001445276889 1066551840 /nfs/dbraw/zinc/55/18/40/1066551840.db2.gz VHAFDHIYIVOTDH-UHFFFAOYSA-N 0 1 458.050 4.846 20 0 JJADMN CC(C)C1CCC(N2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)CC2)CC1 ZINC001445277339 1066551979 /nfs/dbraw/zinc/55/19/79/1066551979.db2.gz YSBNDIALFXEYQR-UHFFFAOYSA-N 0 1 459.432 4.607 20 0 JJADMN Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@H]2CN(CC(C)C)CCO2)cc1Br ZINC001361218635 1066554965 /nfs/dbraw/zinc/55/49/65/1066554965.db2.gz PMKRHORRNQIQMF-OAQYLSRUSA-N 0 1 490.490 4.753 20 0 JJADMN Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2Cc2ccsc2)cc1Br ZINC001361220979 1066558848 /nfs/dbraw/zinc/55/88/48/1066558848.db2.gz KOBRQJWNWXHVKQ-UHFFFAOYSA-N 0 1 460.445 4.656 20 0 JJADMN Cc1ccc(C(=O)Nc2ccc3nc(CNC(=O)OC(C)(C)C)[nH]c3c2)c(Br)c1 ZINC001456368721 1066572689 /nfs/dbraw/zinc/57/26/89/1066572689.db2.gz AUDYEHGGEYQUDM-UHFFFAOYSA-N 0 1 459.344 4.911 20 0 JJADMN Cc1ccc(CN(C)c2nnc(Cc3ccccc3C)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001361257671 1066606363 /nfs/dbraw/zinc/60/63/63/1066606363.db2.gz GDYBDFRUVBWALQ-SZPZYZBQSA-N 0 1 465.642 4.603 20 0 JJADMN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(Br)cc(F)c2O)cc1 ZINC001445707746 1066607638 /nfs/dbraw/zinc/60/76/38/1066607638.db2.gz XAMYHADVLPVEGQ-LBPRGKRZSA-N 0 1 452.324 4.659 20 0 JJADMN Cc1nnc(SCCC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)[nH]1 ZINC001456564906 1066627069 /nfs/dbraw/zinc/62/70/69/1066627069.db2.gz OXIPRWUJPMIKCL-UHFFFAOYSA-N 0 1 453.406 4.956 20 0 JJADMN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CCc3cccs3)CC2)c(F)c1 ZINC001361285932 1066644230 /nfs/dbraw/zinc/64/42/30/1066644230.db2.gz IREWCFWXDOMRBQ-UHFFFAOYSA-N 0 1 455.647 4.789 20 0 JJADMN Cc1ccccc1O[C@H](C)Cn1c(N2CCN(CCc3cccs3)CC2)nnc1C(C)(C)C ZINC001492598978 1066649921 /nfs/dbraw/zinc/64/99/21/1066649921.db2.gz SBXNYFBYIVOPAK-OAQYLSRUSA-N 0 1 467.683 4.778 20 0 JJADMN O=C(NCc1ccccc1-c1ccc(Cl)cc1Cl)c1nc[nH]c(=O)c1Br ZINC001446111137 1066662012 /nfs/dbraw/zinc/66/20/12/1066662012.db2.gz OPBBAGFAZSWSCA-UHFFFAOYSA-N 0 1 453.123 4.849 20 0 JJADMN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC001446139263 1066664652 /nfs/dbraw/zinc/66/46/52/1066664652.db2.gz GTGUUTDXGGNABQ-CYBMUJFWSA-N 0 1 453.534 4.726 20 0 JJADMN Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC001446181259 1066669565 /nfs/dbraw/zinc/66/95/65/1066669565.db2.gz GRBLPJIKCGWIMX-UHFFFAOYSA-N 0 1 451.592 4.727 20 0 JJADMN C[N@H+]1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446193862 1066673227 /nfs/dbraw/zinc/67/32/27/1066673227.db2.gz IUXMFSNIOPPFHT-WMTXJRDZSA-N 0 1 453.558 4.569 20 0 JJADMN CN1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 ZINC001446193862 1066673231 /nfs/dbraw/zinc/67/32/31/1066673231.db2.gz IUXMFSNIOPPFHT-WMTXJRDZSA-N 0 1 453.558 4.569 20 0 JJADMN CN1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 ZINC001446193866 1066674163 /nfs/dbraw/zinc/67/41/63/1066674163.db2.gz IUXMFSNIOPPFHT-ZDXQCDESSA-N 0 1 453.558 4.569 20 0 JJADMN CC(C)CSCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001446245233 1066678736 /nfs/dbraw/zinc/67/87/36/1066678736.db2.gz RTQLMWRKTAOOSJ-UHFFFAOYSA-N 0 1 459.008 4.789 20 0 JJADMN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001446284312 1066685970 /nfs/dbraw/zinc/68/59/70/1066685970.db2.gz VZCIRJVEDXGQGM-DLBZAZTESA-N 0 1 453.583 4.919 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC=C(c4ccccc4Cl)CC3)[nH]n2)C1 ZINC001446298039 1066687624 /nfs/dbraw/zinc/68/76/24/1066687624.db2.gz WFRGOTSMTMZFHZ-KRWDZBQOSA-N 0 1 456.974 4.717 20 0 JJADMN Cc1coc(C)c1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(C)C)CC1 ZINC001492634277 1066716676 /nfs/dbraw/zinc/71/66/76/1066716676.db2.gz IVLPRZLZYBVPLZ-UHFFFAOYSA-N 0 1 476.394 4.635 20 0 JJADMN CC(=O)c1cccc(OCc2cc(C(=O)Nc3c(F)cc(Br)cc3F)no2)c1 ZINC001456940795 1066726969 /nfs/dbraw/zinc/72/69/69/1066726969.db2.gz PEYDBWGXUGYVBT-UHFFFAOYSA-N 0 1 451.223 4.749 20 0 JJADMN Cc1c(C(=O)Nc2cccc3c2CN(CC(C)C)C3)nnn1-c1cccc(Br)c1 ZINC001446641767 1066727740 /nfs/dbraw/zinc/72/77/40/1066727740.db2.gz WGOKHJCBCZICOW-UHFFFAOYSA-N 0 1 454.372 4.562 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4C)CC3)n[nH]2)c1C ZINC001456972087 1066732898 /nfs/dbraw/zinc/73/28/98/1066732898.db2.gz JTOSZEIPUAAXTC-UHFFFAOYSA-N 0 1 455.006 4.614 20 0 JJADMN Cc1csc(CCCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(C(C)C)CC2)n1 ZINC001492644702 1066743201 /nfs/dbraw/zinc/74/32/01/1066743201.db2.gz XBLHWTWTOVLDNC-HXUWFJFHSA-N 0 1 486.661 4.875 20 0 JJADMN COC(=O)c1cc2[nH]c(NC(=O)c3ccc(OC)c4ccccc34)nc2c(Br)c1 ZINC001457016814 1066744042 /nfs/dbraw/zinc/74/40/42/1066744042.db2.gz OOWKWTFKJQDOKJ-UHFFFAOYSA-N 0 1 454.280 4.526 20 0 JJADMN Cc1csc(CN(C)c2nnc(C(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC001492645015 1066745043 /nfs/dbraw/zinc/74/50/43/1066745043.db2.gz IBSUXQREEHEMBJ-OAQYLSRUSA-N 0 1 452.672 4.619 20 0 JJADMN Cc1csc(CN(C)c2nnc(-c3ccccc3Cl)n2C[C@H](C)CN2CCOCC2)c1 ZINC001492645773 1066747051 /nfs/dbraw/zinc/74/70/51/1066747051.db2.gz IRQAYSJMVMOBKM-GOSISDBHSA-N 0 1 460.047 4.573 20 0 JJADMN Cc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001446877910 1066751827 /nfs/dbraw/zinc/75/18/27/1066751827.db2.gz HXFKEYGOYLDSTK-UHFFFAOYSA-N 0 1 458.393 4.638 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nc(C(C)(C)C)co3)ccc2OC)cc1 ZINC001457097002 1066760940 /nfs/dbraw/zinc/76/09/40/1066760940.db2.gz ATOGBBGSNFSDIZ-UHFFFAOYSA-N 0 1 457.552 4.596 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 ZINC001446980506 1066761278 /nfs/dbraw/zinc/76/12/78/1066761278.db2.gz IXKNQXRHKSLQKE-VAMGGRTRSA-N 0 1 459.635 4.642 20 0 JJADMN Cc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)cc(Br)c3O)n[nH]2)cc1 ZINC001447097488 1066772502 /nfs/dbraw/zinc/77/25/02/1066772502.db2.gz XOBXDEWSRVUXMT-UHFFFAOYSA-N 0 1 453.749 4.632 20 0 JJADMN Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1-c1ccccc1 ZINC001447107093 1066774129 /nfs/dbraw/zinc/77/41/29/1066774129.db2.gz SAUVCBJFHGNTGU-MBSDFSHPSA-N 0 1 453.945 4.978 20 0 JJADMN Cc1nc(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@H](c2ccco2)N(C)C)cs1 ZINC001492662877 1066782887 /nfs/dbraw/zinc/78/28/87/1066782887.db2.gz ZDLWSPXOYJJWGP-MAUKXSAKSA-N 0 1 456.641 4.789 20 0 JJADMN Cc1nc(Cc2nnc(N(C)Cc3ccccc3C)n2C[C@@H](c2ccsc2)N(C)C)cs1 ZINC001492665450 1066786748 /nfs/dbraw/zinc/78/67/48/1066786748.db2.gz IYBSXPPDWNZFDU-QFIPXVFZSA-N 0 1 466.680 4.943 20 0 JJADMN COc1ccc(NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)cc1OC(C)C ZINC001447379841 1066801441 /nfs/dbraw/zinc/80/14/41/1066801441.db2.gz WNKZVQLDMQNPLH-UHFFFAOYSA-N 0 1 455.580 4.680 20 0 JJADMN CN(CC(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1)C(=O)OC(C)(C)C ZINC001457320199 1066809902 /nfs/dbraw/zinc/80/99/02/1066809902.db2.gz ZWVAZKWJGPVITP-UHFFFAOYSA-N 0 1 459.344 4.798 20 0 JJADMN C[C@@H]1CCCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 ZINC001447469681 1066812661 /nfs/dbraw/zinc/81/26/61/1066812661.db2.gz APSPBCFTANJEGW-NFBKMPQASA-N 0 1 451.611 4.942 20 0 JJADMN CC[C@@H]1CN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1 ZINC001447501682 1066816176 /nfs/dbraw/zinc/81/61/76/1066816176.db2.gz SIVRHMLCMUPOFE-IAPPQJPRSA-N 0 1 458.602 4.812 20 0 JJADMN COc1cc2[nH]cc(C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)c(=O)c2c(OC)c1 ZINC001447510035 1066816839 /nfs/dbraw/zinc/81/68/39/1066816839.db2.gz LTTPAMQVEXFJAJ-UHFFFAOYSA-N 0 1 459.329 4.782 20 0 JJADMN Cc1n[nH]c(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC(C)CC2)n1 ZINC001492686385 1066830908 /nfs/dbraw/zinc/83/09/08/1066830908.db2.gz AHJAEPCVMFHPII-IPFXWSOASA-N 0 1 451.619 4.719 20 0 JJADMN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC(C)CC2)[nH]1 ZINC001492686385 1066830915 /nfs/dbraw/zinc/83/09/15/1066830915.db2.gz AHJAEPCVMFHPII-IPFXWSOASA-N 0 1 451.619 4.719 20 0 JJADMN Cc1n[nH]c(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(Cc2ccco2)C(C)C)n1 ZINC001492686897 1066831451 /nfs/dbraw/zinc/83/14/51/1066831451.db2.gz OCVPGHYNRUYBJE-MRXNPFEDSA-N 0 1 469.977 4.749 20 0 JJADMN Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(Cc2ccco2)C(C)C)[nH]1 ZINC001492686897 1066831458 /nfs/dbraw/zinc/83/14/58/1066831458.db2.gz OCVPGHYNRUYBJE-MRXNPFEDSA-N 0 1 469.977 4.749 20 0 JJADMN Cc1n[nH]c(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(C)(C)C)C2)n1 ZINC001492691573 1066836883 /nfs/dbraw/zinc/83/68/83/1066836883.db2.gz KREMFCWVAZWQRV-HNNXBMFYSA-N 0 1 478.428 4.706 20 0 JJADMN Cc1nnc(CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@H](C(C)(C)C)C2)[nH]1 ZINC001492691573 1066836891 /nfs/dbraw/zinc/83/68/91/1066836891.db2.gz KREMFCWVAZWQRV-HNNXBMFYSA-N 0 1 478.428 4.706 20 0 JJADMN COc1ccccc1-c1n[nH]c(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n1 ZINC001457525738 1066851718 /nfs/dbraw/zinc/85/17/18/1066851718.db2.gz MXBGHMFLKRSEMS-UHFFFAOYSA-N 0 1 455.490 4.798 20 0 JJADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC001457552239 1066859318 /nfs/dbraw/zinc/85/93/18/1066859318.db2.gz GNNXFZGDZKWXAN-UHFFFAOYSA-N 0 1 454.880 4.821 20 0 JJADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001457558354 1066860710 /nfs/dbraw/zinc/86/07/10/1066860710.db2.gz UYQMMBKEQGJEIO-CQSZACIVSA-N 0 1 451.792 4.970 20 0 JJADMN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC001447805915 1066862885 /nfs/dbraw/zinc/86/28/85/1066862885.db2.gz SNCQXSAJBPGNML-CQSZACIVSA-N 0 1 454.398 4.689 20 0 JJADMN Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n[nH]c1C1CC1 ZINC001457590728 1066873497 /nfs/dbraw/zinc/87/34/97/1066873497.db2.gz MLPDTQYPSGPKID-UHFFFAOYSA-N 0 1 452.580 4.882 20 0 JJADMN Cc1ccc(CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c(OC[C@H]2CCOC2)c1 ZINC001457623622 1066884371 /nfs/dbraw/zinc/88/43/71/1066884371.db2.gz KTWPMLZZGDOVSO-VWLOTQADSA-N 0 1 458.602 4.972 20 0 JJADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)ccc2Cl)cc1 ZINC001457631676 1066886824 /nfs/dbraw/zinc/88/68/24/1066886824.db2.gz IFHQNILOKCARTE-AUSJPIAWSA-N 0 1 450.988 4.704 20 0 JJADMN CCCOc1ccc(CN(CCC)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1OCC ZINC001457651602 1066890406 /nfs/dbraw/zinc/89/04/06/1066890406.db2.gz QLVRPQKMJDLNKT-UHFFFAOYSA-N 0 1 455.580 4.864 20 0 JJADMN CO[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1)C(C)C ZINC001457672496 1066894856 /nfs/dbraw/zinc/89/48/56/1066894856.db2.gz WKEMZGPJNPZPOJ-SFHVURJKSA-N 0 1 459.395 4.503 20 0 JJADMN CO[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccccc1Br ZINC001448060062 1066895139 /nfs/dbraw/zinc/89/51/39/1066895139.db2.gz DKVASPFYKOVNEF-ROUUACIJSA-N 0 1 459.306 4.575 20 0 JJADMN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001448070763 1066896384 /nfs/dbraw/zinc/89/63/84/1066896384.db2.gz WRWKJRSIUFJFOZ-GOSISDBHSA-N 0 1 459.553 4.755 20 0 JJADMN CN(C)[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC001448072474 1066897073 /nfs/dbraw/zinc/89/70/73/1066897073.db2.gz ZESLXYHWWXVNQN-INIZCTEOSA-N 0 1 451.470 4.645 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)[nH]c2c1 ZINC001448106264 1066900027 /nfs/dbraw/zinc/90/00/27/1066900027.db2.gz RNIUPZCFOSXGCK-NSHDSACASA-N 0 1 458.305 4.952 20 0 JJADMN COc1ccc2nc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)[nH]c2c1 ZINC001448107159 1066900420 /nfs/dbraw/zinc/90/04/20/1066900420.db2.gz VVKAITLPILSHHT-WDEREUQCSA-N 0 1 452.736 4.632 20 0 JJADMN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC001457735240 1066906707 /nfs/dbraw/zinc/90/67/07/1066906707.db2.gz NPSUVMIKRAAENB-UHFFFAOYSA-N 0 1 459.724 4.987 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(CC)CCC3CC3)ccc2Cl)cc1 ZINC001457746828 1066909832 /nfs/dbraw/zinc/90/98/32/1066909832.db2.gz KXCROKDFLQYHSV-UHFFFAOYSA-N 0 1 450.988 4.802 20 0 JJADMN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)c3cccc4cccnc43)cc2)cc1 ZINC001448204406 1066909933 /nfs/dbraw/zinc/90/99/33/1066909933.db2.gz ZUAPUJJZGYLCLD-UHFFFAOYSA-N 0 1 459.527 4.515 20 0 JJADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(OC(F)F)cc1F ZINC001457776307 1066917565 /nfs/dbraw/zinc/91/75/65/1066917565.db2.gz KPCWLKGMWRGBAR-UHFFFAOYSA-N 0 1 451.470 4.625 20 0 JJADMN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001457783274 1066919020 /nfs/dbraw/zinc/91/90/20/1066919020.db2.gz SXBIQBSESADMDR-UHFFFAOYSA-N 0 1 450.495 4.577 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1occc1COc1ccccc1 ZINC001457785385 1066919530 /nfs/dbraw/zinc/91/95/30/1066919530.db2.gz IKFXFCFZQDBMSP-HSZRJFAPSA-N 0 1 459.546 4.712 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)CCc1ccc(OC)c(Cl)c1 ZINC001457790771 1066921722 /nfs/dbraw/zinc/92/17/22/1066921722.db2.gz ZJQVAVPTRPLOKL-HXUWFJFHSA-N 0 1 455.986 4.521 20 0 JJADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc2c(ccnc2Cl)s1 ZINC001457792337 1066922185 /nfs/dbraw/zinc/92/21/85/1066922185.db2.gz VGLCTCTXDBEAQF-MRXNPFEDSA-N 0 1 454.983 4.803 20 0 JJADMN COCCCCc1cccnc1NC(=O)c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1 ZINC001457813808 1066926675 /nfs/dbraw/zinc/92/66/75/1066926675.db2.gz LSBHNSSHYNAQQV-UHFFFAOYSA-N 0 1 456.546 4.638 20 0 JJADMN CC[C@](C)(CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1)OC ZINC001457821872 1066927943 /nfs/dbraw/zinc/92/79/43/1066927943.db2.gz IGAPCPHFZXXSSE-HXUWFJFHSA-N 0 1 459.395 4.648 20 0 JJADMN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC001457909136 1066939833 /nfs/dbraw/zinc/93/98/33/1066939833.db2.gz NFEHUEQFURWOJE-XPTSAGLGSA-N 0 1 464.271 4.628 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC2CCC2)ccc1C ZINC001457944968 1066945074 /nfs/dbraw/zinc/94/50/74/1066945074.db2.gz APOFFIADNIBYGP-OAQYLSRUSA-N 0 1 456.608 4.989 20 0 JJADMN COc1ccc([C@H](NC(C)C)C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC001457965691 1066949086 /nfs/dbraw/zinc/94/90/86/1066949086.db2.gz BLMXGMGJLALZMA-KRWDZBQOSA-N 0 1 450.486 4.910 20 0 JJADMN COc1ccc([C@H](NC(C)C)C(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)cc1 ZINC001457967161 1066949524 /nfs/dbraw/zinc/94/95/24/1066949524.db2.gz CLFLZLQUCZXOEZ-VWLOTQADSA-N 0 1 458.562 4.780 20 0 JJADMN Cc1nnc(N2Cc3cc(Br)ccc3[C@@H](C)C2)n1C[C@H](c1ccsc1)N(C)C ZINC001492795388 1066950866 /nfs/dbraw/zinc/95/08/66/1066950866.db2.gz VLSNXLBRCLLIOF-VBKZILBWSA-N 0 1 460.445 4.837 20 0 JJADMN CCCCn1nc(C)c(-c2cc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)[nH]n2)c1C ZINC001448725286 1066954433 /nfs/dbraw/zinc/95/44/33/1066954433.db2.gz HCGBXZPHAQCKAN-UHFFFAOYSA-N 0 1 455.469 4.930 20 0 JJADMN Cc1[nH]c(SCC(=O)N2CCN(c3cccc(Cl)c3C)CC2)nc1Cc1ccccc1 ZINC001458031897 1066958510 /nfs/dbraw/zinc/95/85/10/1066958510.db2.gz AQCMIHRHAYSEHT-UHFFFAOYSA-N 0 1 455.027 4.712 20 0 JJADMN CC(C)(C)OC(=O)N1CC[C@H](c2[nH]ncc2C(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1 ZINC001448807828 1066958918 /nfs/dbraw/zinc/95/89/18/1066958918.db2.gz BAQHTLAISNJUER-SFHVURJKSA-N 0 1 456.974 4.717 20 0 JJADMN CCOC(=O)[C@H]1CCCN(CC(=O)N(CC)[C@@H](C)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC001545702467 1066965090 /nfs/dbraw/zinc/96/50/90/1066965090.db2.gz DADDWUBJKSBORR-RDPSFJRHSA-N 0 1 452.595 4.547 20 0 JJADMN Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC001458078755 1066969132 /nfs/dbraw/zinc/96/91/32/1066969132.db2.gz AHVQXAVZEPFZIR-UHFFFAOYSA-N 0 1 457.403 4.634 20 0 JJADMN CC[C@@H](c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@H]1CN(CC(C)C)CCO1)c1ccccc1 ZINC001545717878 1066972310 /nfs/dbraw/zinc/97/23/10/1066972310.db2.gz SXJFTCSWPPAHFX-QPTUXGOLSA-N 0 1 465.642 4.967 20 0 JJADMN CC[C@@H](c1nnc(N(C)Cc2nccs2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545724436 1066981281 /nfs/dbraw/zinc/98/12/81/1066981281.db2.gz QGSQSCVAHLDIOP-WOJBJXKFSA-N 0 1 450.612 4.809 20 0 JJADMN CC[C@@H](c1nnc(N2CCC(C)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545735943 1066999353 /nfs/dbraw/zinc/99/93/53/1066999353.db2.gz IXCGEWPFAIMIHZ-CQOQZXRMSA-N 0 1 453.675 4.944 20 0 JJADMN CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545735897 1066999408 /nfs/dbraw/zinc/99/94/08/1066999408.db2.gz IDNGLLVTVGFHSO-XJBUMPMFSA-N 0 1 483.701 4.569 20 0 JJADMN CC[C@@H](Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001546014075 1067008484 /nfs/dbraw/zinc/00/84/84/1067008484.db2.gz BEAXJEXPXMVVKY-DEOSSOPVSA-N 0 1 475.685 4.962 20 0 JJADMN CC[C@H](Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001546014076 1067008709 /nfs/dbraw/zinc/00/87/09/1067008709.db2.gz BEAXJEXPXMVVKY-XMMPIXPASA-N 0 1 475.685 4.962 20 0 JJADMN O=C(NC[C@H](c1nc[nH]n1)c1ccccc1)C1(c2ccccc2Br)CCCCC1 ZINC001449449358 1067009784 /nfs/dbraw/zinc/00/97/84/1067009784.db2.gz FADWZWOGZCJPME-SFHVURJKSA-N 0 1 453.384 4.717 20 0 JJADMN CCN(CC)[C@@H](C(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 ZINC001449574046 1067015141 /nfs/dbraw/zinc/01/51/41/1067015141.db2.gz CJMBRMHJYAFRNG-PKTZIBPZSA-N 0 1 457.659 4.954 20 0 JJADMN CC[C@@H](c1nnc(N2CCC[C@H](C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545746912 1067016020 /nfs/dbraw/zinc/01/60/20/1067016020.db2.gz XAERNCJXOSUNPX-XJTUCQONSA-N 0 1 453.675 4.946 20 0 JJADMN CCC[C@H]1CN(C(=O)[C@@H](OC)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001458273332 1067018189 /nfs/dbraw/zinc/01/81/89/1067018189.db2.gz CHFZUGPKNQEWOU-PXNSSMCTSA-N 0 1 451.430 4.711 20 0 JJADMN Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1 ZINC001449663121 1067019267 /nfs/dbraw/zinc/01/92/67/1067019267.db2.gz TVQAPSNRSDOURP-VWLOTQADSA-N 0 1 457.014 4.729 20 0 JJADMN CC[C@H](c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1CC(C)(C)SC)c1ccccc1 ZINC001545753877 1067029566 /nfs/dbraw/zinc/02/95/66/1067029566.db2.gz ADOHVIVDXZWZOV-GGAORHGYSA-N 0 1 471.715 4.510 20 0 JJADMN CC[C@H](c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545754520 1067031113 /nfs/dbraw/zinc/03/11/13/1067031113.db2.gz OZMSVXFYJUKSBW-UPVQGACJSA-N 0 1 453.675 4.805 20 0 JJADMN CC(=O)Nc1ccc(CN2CCC(NC(=O)CCC(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC001449907773 1067036592 /nfs/dbraw/zinc/03/65/92/1067036592.db2.gz YWYXADUESKBFQP-UHFFFAOYSA-N 0 1 457.574 4.542 20 0 JJADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1 ZINC001449979890 1067039795 /nfs/dbraw/zinc/03/97/95/1067039795.db2.gz NXWYUIANJRUMQL-NXUSMQHESA-N 0 1 459.937 4.602 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CCOC)[C@H](CC)C2)n1CC1(C)CCCC1)c1ccccc1 ZINC001545758763 1067039735 /nfs/dbraw/zinc/03/97/35/1067039735.db2.gz MILWMVTXBXSJAP-DNQXCXABSA-N 0 1 453.675 4.947 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC001545758680 1067040059 /nfs/dbraw/zinc/04/00/59/1067040059.db2.gz LKCIPWOZNJXIFV-GHTZIAJQSA-N 0 1 472.559 4.813 20 0 JJADMN CC[C@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758895 1067040326 /nfs/dbraw/zinc/04/03/26/1067040326.db2.gz OWNXEHMENKMAFU-IRLDBZIGSA-N 0 1 484.689 4.654 20 0 JJADMN CC[C@@H](c1nnc(N2CCN(CC)[C@H](C)C2)n1CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC001545758894 1067040379 /nfs/dbraw/zinc/04/03/79/1067040379.db2.gz OWNXEHMENKMAFU-IFMALSPDSA-N 0 1 484.689 4.654 20 0 JJADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C4CC4)n3)ccc2OC)cc1 ZINC001450053786 1067044966 /nfs/dbraw/zinc/04/49/66/1067044966.db2.gz CRINMKCNPDTOFK-UHFFFAOYSA-N 0 1 451.548 4.583 20 0 JJADMN CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H](c1ccco1)N(C)C)c1ccccc1 ZINC001545761837 1067045950 /nfs/dbraw/zinc/04/59/50/1067045950.db2.gz XQWOQSZSBVWQHA-AKFKNWHVSA-N 0 1 465.642 4.967 20 0 JJADMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001450173892 1067057297 /nfs/dbraw/zinc/05/72/97/1067057297.db2.gz WDKJPDNLPYBPPG-UHFFFAOYSA-N 0 1 451.280 4.984 20 0 JJADMN CN1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001458448244 1067063648 /nfs/dbraw/zinc/06/36/48/1067063648.db2.gz NOGCCJLWHBAHSS-SIKLNZKXSA-N 0 1 459.993 4.564 20 0 JJADMN COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450478 1067065100 /nfs/dbraw/zinc/06/51/00/1067065100.db2.gz VERPCQZAIAKBPI-LIRRHRJNSA-N 0 1 455.755 4.673 20 0 JJADMN COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1Br ZINC001458450462 1067065419 /nfs/dbraw/zinc/06/54/19/1067065419.db2.gz VERPCQZAIAKBPI-IFXJQAMLSA-N 0 1 455.755 4.673 20 0 JJADMN CCN(CC)[C@@H](C(=O)NCc1cccc(C2(C)OCCO2)c1)c1cccc(C(F)(F)F)c1 ZINC001450459314 1067082274 /nfs/dbraw/zinc/08/22/74/1067082274.db2.gz FWAGWJJQUVYKSP-OAQYLSRUSA-N 0 1 450.501 4.624 20 0 JJADMN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1)SC ZINC001545786667 1067082797 /nfs/dbraw/zinc/08/27/97/1067082797.db2.gz ULKGZWCLATWSJC-OAQYLSRUSA-N 0 1 475.678 4.555 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 ZINC001450465131 1067082965 /nfs/dbraw/zinc/08/29/65/1067082965.db2.gz FCWOPIVKWMSTOQ-FQEVSTJZSA-N 0 1 450.988 4.656 20 0 JJADMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C3CC3)n(C)n2)c1C ZINC001450609053 1067095145 /nfs/dbraw/zinc/09/51/45/1067095145.db2.gz OQOKZZPWSZOHDK-UHFFFAOYSA-N 0 1 452.580 4.584 20 0 JJADMN COc1ccc(-c2cc(C(=O)N3[C@@H](C)CN(c4ccc(C(F)(F)F)cc4)C[C@@H]3C)n[nH]2)cc1 ZINC001450630447 1067097597 /nfs/dbraw/zinc/09/75/97/1067097597.db2.gz RZFBIPYUPFQZTJ-HOTGVXAUSA-N 0 1 458.484 4.844 20 0 JJADMN CCC(CC)[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1)OC ZINC001545803186 1067112022 /nfs/dbraw/zinc/11/20/22/1067112022.db2.gz JEJRLWZRBITBKQ-JLLPCOHGSA-N 0 1 475.722 4.713 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@H](C)C1)N1CCOCC1 ZINC001545805258 1067118781 /nfs/dbraw/zinc/11/87/81/1067118781.db2.gz KBUYYXHKRLOIFW-YPCDYVTLSA-N 0 1 499.700 4.582 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H]1C)N1CCOCC1 ZINC001545806097 1067122239 /nfs/dbraw/zinc/12/22/39/1067122239.db2.gz ZALRBANLRWBKJG-MSYCTHLASA-N 0 1 460.066 4.970 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@H](SC)C1)N1CCOCC1 ZINC001545807253 1067124990 /nfs/dbraw/zinc/12/49/90/1067124990.db2.gz FBOPCZACAYDQAH-FCHUYYIVSA-N 0 1 475.703 4.705 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1C)N1CCOCC1 ZINC001545807469 1067126215 /nfs/dbraw/zinc/12/62/15/1067126215.db2.gz ILRWUNIONYKIKC-PGRDOPGGSA-N 0 1 476.065 4.733 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1C)N1CCOCC1 ZINC001545807467 1067126268 /nfs/dbraw/zinc/12/62/68/1067126268.db2.gz ILRWUNIONYKIKC-AVRDEDQJSA-N 0 1 476.065 4.733 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(F)F)C1)N1CCOCC1 ZINC001545808168 1067132264 /nfs/dbraw/zinc/13/22/64/1067132264.db2.gz UGDGVWGRCOJOPC-UXHICEINSA-N 0 1 497.034 4.612 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1)N1CCOCC1 ZINC001545808297 1067133065 /nfs/dbraw/zinc/13/30/65/1067133065.db2.gz WGPJIZRCUKTXLH-XUZZJYLKSA-N 0 1 499.700 4.726 20 0 JJADMN CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)N1CCOCC1 ZINC001545810194 1067137501 /nfs/dbraw/zinc/13/75/01/1067137501.db2.gz RLPQBEMVDORNOS-MHECFPHRSA-N 0 1 486.611 4.886 20 0 JJADMN CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ccoc1)N1CCOCC1 ZINC001545810297 1067138210 /nfs/dbraw/zinc/13/82/10/1067138210.db2.gz UGHUDQCJTWBYTR-QHCPKHFHSA-N 0 1 472.033 4.965 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccccc1)N1CCOCC1 ZINC001545814398 1067142431 /nfs/dbraw/zinc/14/24/31/1067142431.db2.gz AQWAPYNFPWKIAO-GPUOULLFSA-N 0 1 469.674 4.507 20 0 JJADMN CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1)N1CCOCC1 ZINC001545817231 1067148018 /nfs/dbraw/zinc/14/80/18/1067148018.db2.gz GUTBXFJCCSYBQH-HHHXNRCGSA-N 0 1 496.744 4.557 20 0 JJADMN CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCOCC1 ZINC001545817725 1067151097 /nfs/dbraw/zinc/15/10/97/1067151097.db2.gz OMNBCCLIUOLDLJ-AUSIDOKSSA-N 0 1 488.746 4.643 20 0 JJADMN CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1)N1CCOCC1 ZINC001545817892 1067151810 /nfs/dbraw/zinc/15/18/10/1067151810.db2.gz RLUCIFHFUDUSSM-YADHBBJMSA-N 0 1 457.663 4.591 20 0 JJADMN CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1)N1CCOCC1 ZINC001545817834 1067151978 /nfs/dbraw/zinc/15/19/78/1067151978.db2.gz QHUBFCZCTNUWAF-XMMPIXPASA-N 0 1 471.665 4.771 20 0 JJADMN CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCC1)N1CCOCC1 ZINC001545819615 1067155405 /nfs/dbraw/zinc/15/54/05/1067155405.db2.gz JMQJJDYQBTXKNI-DEOSSOPVSA-N 0 1 473.637 4.514 20 0 JJADMN Cc1ccsc1C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1 ZINC001451248426 1067155635 /nfs/dbraw/zinc/15/56/35/1067155635.db2.gz QTALYJXZFNRSRD-UHFFFAOYSA-N 0 1 458.628 4.914 20 0 JJADMN CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(F)(F)CC1)N1CCOCC1 ZINC001545819886 1067156543 /nfs/dbraw/zinc/15/65/43/1067156543.db2.gz NWQZOFVCQLEOFQ-QHCPKHFHSA-N 0 1 491.627 4.538 20 0 JJADMN CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H]1C)N1CCOCC1 ZINC001545820193 1067158024 /nfs/dbraw/zinc/15/80/24/1067158024.db2.gz SEHQGZOMKLINDJ-NMMYMHLASA-N 0 1 490.092 4.882 20 0 JJADMN CCC(CC)[C@H](Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C)N1CCOCC1 ZINC001545820499 1067159835 /nfs/dbraw/zinc/15/98/35/1067159835.db2.gz YQAAJDBRDXWQDM-RDGATRHJSA-N 0 1 485.692 4.921 20 0 JJADMN CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCC1)N1CCOCC1 ZINC001545821434 1067161165 /nfs/dbraw/zinc/16/11/65/1067161165.db2.gz CZYNSNOKXJPNLI-WXFUMESZSA-N 0 1 475.722 4.714 20 0 JJADMN CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1C)N1CCOCC1 ZINC001545822189 1067162832 /nfs/dbraw/zinc/16/28/32/1067162832.db2.gz VXJANEXJXUIAAX-MRQKEVAZSA-N 0 1 475.722 4.568 20 0 JJADMN Cc1cc(F)ccc1-n1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)n1 ZINC001458834966 1067163643 /nfs/dbraw/zinc/16/36/43/1067163643.db2.gz ICDJAEDSTMDSOI-QHCPKHFHSA-N 0 1 456.512 4.944 20 0 JJADMN CC(C)([C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458838812 1067166263 /nfs/dbraw/zinc/16/62/63/1067166263.db2.gz UABPUHBKMUGDNN-HSZRJFAPSA-N 0 1 454.496 4.906 20 0 JJADMN CC(C)([C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458839795 1067166345 /nfs/dbraw/zinc/16/63/45/1067166345.db2.gz UQSIDAREIZNYAZ-XUZZJYLKSA-N 0 1 458.549 4.868 20 0 JJADMN CC(C)([C@H](NC(=O)c1nc(F)ccc1Br)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458841204 1067167542 /nfs/dbraw/zinc/16/75/42/1067167542.db2.gz YDYKWLVPNVDEPL-GOSISDBHSA-N 0 1 456.306 4.607 20 0 JJADMN Cc1cc(C)c(OCC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC001451919971 1067198734 /nfs/dbraw/zinc/19/87/34/1067198734.db2.gz MVJKSLSOURXPHP-QFIPXVFZSA-N 0 1 454.368 4.651 20 0 JJADMN O=C(c1cc(F)c(Br)cc1F)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC001451918791 1067198841 /nfs/dbraw/zinc/19/88/41/1067198841.db2.gz JVFIUMAWBADCQM-SFHVURJKSA-N 0 1 452.686 4.892 20 0 JJADMN Cc1cc(Br)c(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)s1 ZINC001451920210 1067198850 /nfs/dbraw/zinc/19/88/50/1067198850.db2.gz NPQOCLZQXFSILT-IBGZPJMESA-N 0 1 450.789 4.912 20 0 JJADMN COc1ccc(-c2n[nH]c(SCCOc3ccccc3C(=O)OC(C)(C)C)n2)c(OC)c1 ZINC001458925634 1067199249 /nfs/dbraw/zinc/19/92/49/1067199249.db2.gz ZCTSHLCOHSSCMY-UHFFFAOYSA-N 0 1 457.552 4.615 20 0 JJADMN COC(=O)c1occc1COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001458934312 1067201873 /nfs/dbraw/zinc/20/18/73/1067201873.db2.gz HYMIYMQPLKLBCU-UHFFFAOYSA-N 0 1 456.303 4.753 20 0 JJADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CCCCC2)c1 ZINC001452004364 1067203162 /nfs/dbraw/zinc/20/31/62/1067203162.db2.gz SBLWPWAQLBQMEN-OAHLLOKOSA-N 0 1 450.988 4.848 20 0 JJADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc3c(cncc3Br)s2)[nH]1 ZINC001458952559 1067206904 /nfs/dbraw/zinc/20/69/04/1067206904.db2.gz IPOXUJDPCHOZEL-UHFFFAOYSA-N 0 1 451.346 4.554 20 0 JJADMN CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001452137940 1067208726 /nfs/dbraw/zinc/20/87/26/1067208726.db2.gz SDTPUHUWOZMMBY-OAQYLSRUSA-N 0 1 453.583 4.864 20 0 JJADMN CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001452137940 1067208733 /nfs/dbraw/zinc/20/87/33/1067208733.db2.gz SDTPUHUWOZMMBY-OAQYLSRUSA-N 0 1 453.583 4.864 20 0 JJADMN CCOc1ccc(CN(C)C(=O)CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)cc1 ZINC001458960634 1067209608 /nfs/dbraw/zinc/20/96/08/1067209608.db2.gz QWVWYNXXPVBTLF-UHFFFAOYSA-N 0 1 451.379 4.928 20 0 JJADMN C[C@@H]1CN(Cc2ccc(CN(C)C(=O)c3coc(-c4ccccc4Cl)n3)cc2)C[C@H](C)O1 ZINC001452690488 1067244561 /nfs/dbraw/zinc/24/45/61/1067244561.db2.gz IVDZYSGRZPDQMY-HDICACEKSA-N 0 1 453.970 4.876 20 0 JJADMN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)c(F)c1 ZINC001452796419 1067252728 /nfs/dbraw/zinc/25/27/28/1067252728.db2.gz BXZRZDXRRHLPRX-HSZRJFAPSA-N 0 1 455.574 4.521 20 0 JJADMN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c(F)c1 ZINC001452796425 1067252822 /nfs/dbraw/zinc/25/28/22/1067252822.db2.gz BXZRZDXRRHLPRX-QHCPKHFHSA-N 0 1 455.574 4.521 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)C(C)(C)c2ccccc2)c1 ZINC001452917147 1067263992 /nfs/dbraw/zinc/26/39/92/1067263992.db2.gz IQSAECMGVHKWST-UHFFFAOYSA-N 0 1 452.576 4.812 20 0 JJADMN CCOC(=O)C1C(CS[C@@H]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459161791 1067264079 /nfs/dbraw/zinc/26/40/79/1067264079.db2.gz BISLDKJRDRWQJA-KNQAVFIVSA-N 0 1 456.995 4.802 20 0 JJADMN CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2CCCCC2)CC1 ZINC001452926246 1067265711 /nfs/dbraw/zinc/26/57/11/1067265711.db2.gz AEDMMHBPDULIEO-XMMPIXPASA-N 0 1 457.659 4.831 20 0 JJADMN O=C(CC1CC(c2ccccc2)C1)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001453129250 1067281855 /nfs/dbraw/zinc/28/18/55/1067281855.db2.gz MYQKIWFWHXTSCF-ZNJKDYDLSA-N 0 1 462.487 4.773 20 0 JJADMN CN(Cc1ccns1)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001453127605 1067282106 /nfs/dbraw/zinc/28/21/06/1067282106.db2.gz BREYYNYNSRYUAD-UHFFFAOYSA-N 0 1 456.376 4.523 20 0 JJADMN O=C(CCc1ccc(C(F)F)cc1)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001453134195 1067282595 /nfs/dbraw/zinc/28/25/95/1067282595.db2.gz WYOVYCMHMDRTJL-OALUTQOASA-N 0 1 472.429 4.759 20 0 JJADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001453264493 1067292058 /nfs/dbraw/zinc/29/20/58/1067292058.db2.gz FBSIJSXPOZBORD-UKRRQHHQSA-N 0 1 454.493 4.624 20 0 JJADMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](CN1CCC[C@@H]1c1cccc(Br)c1)O2 ZINC001459316670 1067292191 /nfs/dbraw/zinc/29/21/91/1067292191.db2.gz BKUWTBAYIPROHA-RBUKOAKNSA-N 0 1 451.405 4.755 20 0 JJADMN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C(C)C)CC2)O1 ZINC001546048843 1067294470 /nfs/dbraw/zinc/29/44/70/1067294470.db2.gz QQNJMGWSPBAOER-MBSDFSHPSA-N 0 1 494.453 4.725 20 0 JJADMN CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001453342409 1067299484 /nfs/dbraw/zinc/29/94/84/1067299484.db2.gz UXSFYEWKDYHFMW-OAHLLOKOSA-N 0 1 450.366 4.554 20 0 JJADMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC001453342409 1067299498 /nfs/dbraw/zinc/29/94/98/1067299498.db2.gz UXSFYEWKDYHFMW-OAHLLOKOSA-N 0 1 450.366 4.554 20 0 JJADMN Cc1ccc(CN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)Cc2ccco2)s1 ZINC001459382520 1067309127 /nfs/dbraw/zinc/30/91/27/1067309127.db2.gz ZIPXOJGGUHUWQS-UHFFFAOYSA-N 0 1 457.621 4.720 20 0 JJADMN CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)Cc1cccc(C(F)(F)F)c1 ZINC001459395189 1067312258 /nfs/dbraw/zinc/31/22/58/1067312258.db2.gz NRDIFNNIOUYOCU-NRFANRHFSA-N 0 1 453.936 4.744 20 0 JJADMN COC(=O)c1cc(Br)c(CN2CCC(Cc3ccc(F)cc3)CC2)cc1OC ZINC001459399779 1067313228 /nfs/dbraw/zinc/31/32/28/1067313228.db2.gz QQZFSCSBNHBCGS-UHFFFAOYSA-N 0 1 450.348 4.838 20 0 JJADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2NC(C)C)c1 ZINC001453564982 1067314979 /nfs/dbraw/zinc/31/49/79/1067314979.db2.gz QMWBTGYSAYVNTR-UHFFFAOYSA-N 0 1 453.564 4.877 20 0 JJADMN O=C(N[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453685473 1067321927 /nfs/dbraw/zinc/32/19/27/1067321927.db2.gz RHVJQCJUHMYRFC-RTBURBONSA-N 0 1 458.436 4.749 20 0 JJADMN CCC(C)(C)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001453775586 1067329248 /nfs/dbraw/zinc/32/92/48/1067329248.db2.gz QCVXNWPBSFKEBI-SANMLTNESA-N 0 1 452.599 4.632 20 0 JJADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCN(Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460802 1067329274 /nfs/dbraw/zinc/32/92/74/1067329274.db2.gz XVZYZQYWHFTDEG-QFIPXVFZSA-N 0 1 459.634 4.792 20 0 JJADMN COc1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001453879946 1067333918 /nfs/dbraw/zinc/33/39/18/1067333918.db2.gz BURLVRDUQVYCKZ-JOCHJYFZSA-N 0 1 456.608 4.989 20 0 JJADMN CC(C)c1ccc(CN2CCN(C(=O)CN3CCC(OCC4CCCCC4)CC3)CC2)cc1 ZINC001459481945 1067336207 /nfs/dbraw/zinc/33/62/07/1067336207.db2.gz FHBYKRJRIMFJFD-UHFFFAOYSA-N 0 1 455.687 4.516 20 0 JJADMN O=C(c1ccccc1F)N(CC(F)(F)F)C1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC001459530341 1067346244 /nfs/dbraw/zinc/34/62/44/1067346244.db2.gz PGGUYXGOKAKHFT-HXUWFJFHSA-N 0 1 458.883 4.682 20 0 JJADMN O=C(CN(CCCO)[C@H]1CCCc2ccccc21)Nc1ccc(Br)cc1Cl ZINC001459584267 1067357464 /nfs/dbraw/zinc/35/74/64/1067357464.db2.gz RIGCGZPUFSHRMX-FQEVSTJZSA-N 0 1 451.792 4.803 20 0 JJADMN CCc1cc2c(CN3CCC(N(CC4CC4)C(=O)OC(C)(C)C)CC3)cc(=O)oc2cc1O ZINC001459605315 1067361237 /nfs/dbraw/zinc/36/12/37/1067361237.db2.gz WCENNIZCHFIZID-UHFFFAOYSA-N 0 1 456.583 4.673 20 0 JJADMN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546110465 1067362866 /nfs/dbraw/zinc/36/28/66/1067362866.db2.gz AJGUNULLUICKNY-OALUTQOASA-N 0 1 474.719 4.538 20 0 JJADMN CN(CCN1CCN(c2ccccc2)CC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001459647747 1067371363 /nfs/dbraw/zinc/37/13/63/1067371363.db2.gz WLUNKBHVXKIAAI-UHFFFAOYSA-N 0 1 451.014 4.568 20 0 JJADMN CC(C)(C)OC(=O)NCCCCCCCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001459671303 1067378887 /nfs/dbraw/zinc/37/88/87/1067378887.db2.gz LUYHAUWZIPIUFJ-QFIPXVFZSA-N 0 1 459.631 4.890 20 0 JJADMN Cc1ccc(CN(C(=O)CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001459687408 1067383855 /nfs/dbraw/zinc/38/38/55/1067383855.db2.gz PUQMHQVPYDKXRA-DNQXCXABSA-N 0 1 455.643 4.740 20 0 JJADMN CCCCNC(=O)C1(NCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCCCC1 ZINC001459702232 1067388438 /nfs/dbraw/zinc/38/84/38/1067388438.db2.gz LHRKNOVDQMVLAV-VWLOTQADSA-N 0 1 453.602 4.582 20 0 JJADMN CCOC(=O)C[C@@H](c1ccccc1)C1CCN([C@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC001459715523 1067393287 /nfs/dbraw/zinc/39/32/87/1067393287.db2.gz IIEKZXAUXZGIHK-NLFFAJNJSA-N 0 1 452.595 4.861 20 0 JJADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001459716654 1067393873 /nfs/dbraw/zinc/39/38/73/1067393873.db2.gz UNRZQXLMZBHWBJ-YJBOKZPZSA-N 0 1 458.484 4.553 20 0 JJADMN O=C(CNC1(c2ccc(F)cc2)CC1)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC001459718776 1067394659 /nfs/dbraw/zinc/39/46/59/1067394659.db2.gz MZVZWBCTZLNOHJ-UHFFFAOYSA-N 0 1 456.315 4.993 20 0 JJADMN CCCCn1c(CN(CC(C)C)CC(C)(C)C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459768122 1067415027 /nfs/dbraw/zinc/41/50/27/1067415027.db2.gz IOVOPVNVRVVWIH-UHFFFAOYSA-N 0 1 453.631 4.651 20 0 JJADMN CCC[C@H]1CN(Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CCN1CCOC ZINC001459786296 1067421612 /nfs/dbraw/zinc/42/16/12/1067421612.db2.gz PFWGPKKHKFXFNB-FQEVSTJZSA-N 0 1 454.640 4.613 20 0 JJADMN Cc1ccc(N(C)[C@@H]2CCCN(CC(=O)NCc3ccccc3COc3ccccc3)C2)cc1 ZINC001459816047 1067436051 /nfs/dbraw/zinc/43/60/51/1067436051.db2.gz FCVSUGFFCNAMFL-HHHXNRCGSA-N 0 1 457.618 4.791 20 0 JJADMN CN(C(=O)CN[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nc2ccccc2s1 ZINC001459817299 1067436498 /nfs/dbraw/zinc/43/64/98/1067436498.db2.gz ZTMZNWXMMGUYOW-JOCHJYFZSA-N 0 1 458.578 4.743 20 0 JJADMN CCC1(CC)CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546112066 1067436557 /nfs/dbraw/zinc/43/65/57/1067436557.db2.gz BJVGWZKFUQHQER-GOTSBHOMSA-N 0 1 469.674 4.681 20 0 JJADMN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001459848170 1067453645 /nfs/dbraw/zinc/45/36/45/1067453645.db2.gz GIQICKHFZOWZFK-VWLOTQADSA-N 0 1 458.002 4.623 20 0 JJADMN O=C(CCN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC001459848831 1067454033 /nfs/dbraw/zinc/45/40/33/1067454033.db2.gz TYQBPSKNSIKERA-IBGZPJMESA-N 0 1 453.892 4.641 20 0 JJADMN OC1(Cc2ccc(OC(F)(F)F)cc2)CCN(CCc2ccccc2Br)CC1 ZINC001459864683 1067463055 /nfs/dbraw/zinc/46/30/55/1067463055.db2.gz JRJJBHUURHBMHK-UHFFFAOYSA-N 0 1 458.318 4.960 20 0 JJADMN CCOC(=O)c1[nH]c(C)c(C(=O)CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1C ZINC001459867547 1067464769 /nfs/dbraw/zinc/46/47/69/1067464769.db2.gz JPPIPJZOVKEXLP-QFIPXVFZSA-N 0 1 452.526 4.712 20 0 JJADMN COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)Nc2ccc(Br)cn2)cc1 ZINC001459870234 1067466827 /nfs/dbraw/zinc/46/68/27/1067466827.db2.gz YIZSMTMPPDXSKA-HXUWFJFHSA-N 0 1 458.331 4.504 20 0 JJADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC001459903711 1067481821 /nfs/dbraw/zinc/48/18/21/1067481821.db2.gz LYBCJTPGZMWQKH-HIFRSBDPSA-N 0 1 454.983 4.796 20 0 JJADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC001459904551 1067481906 /nfs/dbraw/zinc/48/19/06/1067481906.db2.gz XJYWQVDIPRJLCP-KRWDZBQOSA-N 0 1 454.596 4.544 20 0 JJADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC001459905513 1067482451 /nfs/dbraw/zinc/48/24/51/1067482451.db2.gz RBJTXEFYVNJLSA-DZGCQCFKSA-N 0 1 456.999 4.809 20 0 JJADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001459906652 1067483576 /nfs/dbraw/zinc/48/35/76/1067483576.db2.gz VWKVYQCVSFKDLE-VFNWGFHPSA-N 0 1 457.546 4.647 20 0 JJADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001459909860 1067485082 /nfs/dbraw/zinc/48/50/82/1067485082.db2.gz ZFODAYAIGLMAAO-MJGOQNOKSA-N 0 1 452.599 4.646 20 0 JJADMN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001459911587 1067486870 /nfs/dbraw/zinc/48/68/70/1067486870.db2.gz XKQZYTHOTOGZAF-RBBKRZOGSA-N 0 1 457.546 4.803 20 0 JJADMN CN(CCCN(C)C(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccco1 ZINC001459937917 1067499699 /nfs/dbraw/zinc/49/96/99/1067499699.db2.gz DJJFAMXJXPAKDU-UHFFFAOYSA-N 0 1 454.415 4.821 20 0 JJADMN COc1cc(OC)c(NC(=O)CCN[C@H](C)c2nc3ccccc3n2C(F)F)cc1Cl ZINC001459949029 1067503615 /nfs/dbraw/zinc/50/36/15/1067503615.db2.gz BYUJOZFJKCBBOK-GFCCVEGCSA-N 0 1 452.889 4.781 20 0 JJADMN CC[C@H](Cc1ccccc1Br)N(C)CCCS(=O)(=O)c1ccccc1OC ZINC001459979414 1067514405 /nfs/dbraw/zinc/51/44/05/1067514405.db2.gz IFZQHMRCJKROLW-GOSISDBHSA-N 0 1 454.430 4.575 20 0 JJADMN C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990762 1067517586 /nfs/dbraw/zinc/51/75/86/1067517586.db2.gz DIEGMIBKCVTCSY-XUSGNXJCSA-N 0 1 455.318 4.655 20 0 JJADMN C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001459990736 1067517618 /nfs/dbraw/zinc/51/76/18/1067517618.db2.gz DIEGMIBKCVTCSY-GTJPDFRWSA-N 0 1 455.318 4.655 20 0 JJADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1OC ZINC001460002220 1067521980 /nfs/dbraw/zinc/52/19/80/1067521980.db2.gz MPDNWSMHORIVSA-HSZRJFAPSA-N 0 1 458.549 4.600 20 0 JJADMN Cc1cccc(OCCCNC(=O)CN2CCC(C)(c3ccc(Br)cc3)CC2)c1 ZINC001460005426 1067523537 /nfs/dbraw/zinc/52/35/37/1067523537.db2.gz VJGQLULOMBLVLV-UHFFFAOYSA-N 0 1 459.428 4.696 20 0 JJADMN C[C@H]1CCc2c(sc3nc(CN[C@@H]4CCN(C(=O)OC(C)(C)C)CC4(C)C)nc(N)c32)C1 ZINC001460024531 1067532221 /nfs/dbraw/zinc/53/22/21/1067532221.db2.gz XAMLXLBOBVSQLO-WMLDXEAASA-N 0 1 459.660 4.524 20 0 JJADMN CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC([C@@H]4OCC[C@H]4NC(=O)C(F)(F)F)CC3)ccc21 ZINC001460035719 1067535755 /nfs/dbraw/zinc/53/57/55/1067535755.db2.gz BWDSAECGGLJDMJ-RTWAWAEBSA-N 0 1 480.571 4.724 20 0 JJADMN Cc1cc(C(=O)Nc2cc(C)cc(CNC(=O)C(F)(F)F)c2)nn1-c1cccc(Cl)c1 ZINC001460040025 1067536633 /nfs/dbraw/zinc/53/66/33/1067536633.db2.gz OOKWQJWQCAPOGO-UHFFFAOYSA-N 0 1 450.848 4.573 20 0 JJADMN CCOc1cc(CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)nc2nc(C(F)(F)F)nn21 ZINC001460073313 1067546405 /nfs/dbraw/zinc/54/64/05/1067546405.db2.gz YMRIRSWUSCFNEF-AWEZNQCLSA-N 0 1 458.444 4.580 20 0 JJADMN O=C(CN1CCC([C@H](F)c2ccccc2F)CC1)Nc1cccc(CN2CCSCC2)c1 ZINC001460079611 1067548479 /nfs/dbraw/zinc/54/84/79/1067548479.db2.gz DMMKMXQHAUQNME-VWLOTQADSA-N 0 1 459.606 4.736 20 0 JJADMN O=C(CN1CCC([C@@H](F)c2ccccc2F)CC1)Nc1cccc(CN2CCSCC2)c1 ZINC001460079602 1067548535 /nfs/dbraw/zinc/54/85/35/1067548535.db2.gz DMMKMXQHAUQNME-RUZDIDTESA-N 0 1 459.606 4.736 20 0 JJADMN COc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)c(Cl)c1 ZINC001460092701 1067552568 /nfs/dbraw/zinc/55/25/68/1067552568.db2.gz JEMDSPWTHQNVQR-ZDUSSCGKSA-N 0 1 452.780 4.504 20 0 JJADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccc(F)c2cccnc12 ZINC001460097499 1067554522 /nfs/dbraw/zinc/55/45/22/1067554522.db2.gz VQQFMZJKDPGSSD-CQSZACIVSA-N 0 1 457.347 4.529 20 0 JJADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460110541 1067556866 /nfs/dbraw/zinc/55/68/66/1067556866.db2.gz PLWRPNAPQJRLTD-IPMKNSEASA-N 0 1 450.023 4.944 20 0 JJADMN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2nc(C)n[nH]2)CCS1 ZINC001546114197 1067564629 /nfs/dbraw/zinc/56/46/29/1067564629.db2.gz YTQOSEWHBANFLX-IBGZPJMESA-N 0 1 483.686 4.816 20 0 JJADMN CCC1(CC)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)[nH]2)CCS1 ZINC001546114197 1067564635 /nfs/dbraw/zinc/56/46/35/1067564635.db2.gz YTQOSEWHBANFLX-IBGZPJMESA-N 0 1 483.686 4.816 20 0 JJADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157896 1067566735 /nfs/dbraw/zinc/56/67/35/1067566735.db2.gz NLGVZFCKYRAHPP-MOPGFXCFSA-N 0 1 450.023 4.946 20 0 JJADMN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001460157902 1067566816 /nfs/dbraw/zinc/56/68/16/1067566816.db2.gz NLGVZFCKYRAHPP-RBUKOAKNSA-N 0 1 450.023 4.946 20 0 JJADMN COC(=O)[C@]1(c2ccccc2)CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC001460167341 1067568262 /nfs/dbraw/zinc/56/82/62/1067568262.db2.gz SCPPPTNHYALERZ-JOCHJYFZSA-N 0 1 457.393 4.889 20 0 JJADMN CCc1cc2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460170998 1067569708 /nfs/dbraw/zinc/56/97/08/1067569708.db2.gz ABQAWVZDGHZYRI-GHTZIAJQSA-N 0 1 456.583 4.673 20 0 JJADMN CCc1cc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2cc1[O-] ZINC001460170998 1067569716 /nfs/dbraw/zinc/56/97/16/1067569716.db2.gz ABQAWVZDGHZYRI-GHTZIAJQSA-N 0 1 456.583 4.673 20 0 JJADMN Cc1ccc(S(=O)(=O)N[C@H](CN2Cc3ccccc3OC(C)(C)C2)c2ccccc2)cc1 ZINC001460174419 1067570711 /nfs/dbraw/zinc/57/07/11/1067570711.db2.gz IXSNOTVKVNNRIB-XMMPIXPASA-N 0 1 450.604 4.688 20 0 JJADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001460215881 1067581436 /nfs/dbraw/zinc/58/14/36/1067581436.db2.gz RKOGKNGTNCMZNI-UZLBHIALSA-N 0 1 453.986 4.919 20 0 JJADMN CCC1(CC)CN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCSCC2)CCS1 ZINC001546114986 1067586831 /nfs/dbraw/zinc/58/68/31/1067586831.db2.gz NEWCOOHJLIFVES-UHFFFAOYSA-N 0 1 496.146 4.768 20 0 JJADMN COc1ccc([C@H](O)CN(CC(=O)Nc2cccc(Cl)c2)[C@H](C)Cc2ccccc2)cc1 ZINC001460238416 1067587842 /nfs/dbraw/zinc/58/78/42/1067587842.db2.gz DGZVLDSVZACTKP-KBMIEXCESA-N 0 1 452.982 4.954 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccc(F)cc2Cl)C1 ZINC001460317091 1067606333 /nfs/dbraw/zinc/60/63/33/1067606333.db2.gz JIPJYCDCNULWTC-QFUCXCTJSA-N 0 1 456.986 4.785 20 0 JJADMN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CCCc4ccccc4)C[C@H]3CC(C)C)cn2)n1 ZINC001460322465 1067608035 /nfs/dbraw/zinc/60/80/35/1067608035.db2.gz BOGKVIBJVUWPNE-AREMUKBSSA-N 0 1 459.638 4.689 20 0 JJADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCc4ccccc4[C@@H](C)C3)cc2)cc1 ZINC001460345820 1067613302 /nfs/dbraw/zinc/61/33/02/1067613302.db2.gz WXMWURLTYVEKRW-FQEVSTJZSA-N 0 1 457.574 4.938 20 0 JJADMN COc1ccc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(OC)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460362138 1067618679 /nfs/dbraw/zinc/61/86/79/1067618679.db2.gz MPHGISIRLNNNQJ-YJBOKZPZSA-N 0 1 474.882 4.533 20 0 JJADMN COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(OC)c3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460362138 1067618686 /nfs/dbraw/zinc/61/86/86/1067618686.db2.gz MPHGISIRLNNNQJ-YJBOKZPZSA-N 0 1 474.882 4.533 20 0 JJADMN O=C([N-][C@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460395349 1067626065 /nfs/dbraw/zinc/62/60/65/1067626065.db2.gz WWKCVACQPWWKQW-LPHOPBHVSA-N 0 1 462.846 4.534 20 0 JJADMN COc1ccccc1-c1nnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC001460411864 1067630319 /nfs/dbraw/zinc/63/03/19/1067630319.db2.gz SGNWZEVXGSPDFS-IBGZPJMESA-N 0 1 456.587 4.604 20 0 JJADMN O=C(CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460416092 1067631271 /nfs/dbraw/zinc/63/12/71/1067631271.db2.gz PEBRDCKRVWFYGX-JTDSTZFVSA-N 0 1 461.425 4.632 20 0 JJADMN Cc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccccc2)[C@H](C)Cc2ccccc2)c(C)c1 ZINC001460478576 1067641682 /nfs/dbraw/zinc/64/16/82/1067641682.db2.gz MFWNNWQLJLCUOU-XMMPIXPASA-N 0 1 457.618 4.800 20 0 JJADMN CC(C)(C)OC(=O)N[C@@H]1CN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001460477968 1067641734 /nfs/dbraw/zinc/64/17/34/1067641734.db2.gz PWGCYXNDWCSSPG-DHIUTWEWSA-N 0 1 471.573 4.531 20 0 JJADMN CN(CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCCC[C@H]1O ZINC001460582863 1067661807 /nfs/dbraw/zinc/66/18/07/1067661807.db2.gz WCYKWNHHGIVHMX-DHIUTWEWSA-N 0 1 453.583 4.718 20 0 JJADMN CCOC(=O)C1=C(CN[C@](C)(CC)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600655 1067667076 /nfs/dbraw/zinc/66/70/76/1067667076.db2.gz FUWYTBJGFLCVKY-ZJSXRUAMSA-N 0 1 459.949 4.565 20 0 JJADMN O=C(CN1CCC(Cc2ccc(Cl)cc2)CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC001460657229 1067690373 /nfs/dbraw/zinc/69/03/73/1067690373.db2.gz VODPILYUQVFQOS-UHFFFAOYSA-N 0 1 454.920 4.809 20 0 JJADMN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001460716439 1067708259 /nfs/dbraw/zinc/70/82/59/1067708259.db2.gz GALSHBILOOJWPM-GOSISDBHSA-N 0 1 456.455 4.790 20 0 JJADMN C[C@H](CC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)n1cc(Br)cn1 ZINC001460721219 1067708764 /nfs/dbraw/zinc/70/87/64/1067708764.db2.gz CINHJNMXHDQYRY-SJKOYZFVSA-N 0 1 450.768 4.880 20 0 JJADMN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1Cl ZINC001460730556 1067711312 /nfs/dbraw/zinc/71/13/12/1067711312.db2.gz RBAJIMDQHYBCSZ-QGZVFWFLSA-N 0 1 452.363 4.641 20 0 JJADMN CC(=O)Nc1ccc(NC(=O)CN2CCCC[C@@H]2CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC001460762000 1067719000 /nfs/dbraw/zinc/71/90/00/1067719000.db2.gz PYNKPGCKAFIYGI-GOSISDBHSA-N 0 1 455.521 4.542 20 0 JJADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001460777860 1067721651 /nfs/dbraw/zinc/72/16/51/1067721651.db2.gz CYIYHMAJFWGEFB-WOJBJXKFSA-N 0 1 474.354 4.604 20 0 JJADMN CC(C)(C)OC(=O)NC1CCC2(CC1)CN(Cc1ccc(OCC(F)(F)F)cc1)CCO2 ZINC001460841384 1067732845 /nfs/dbraw/zinc/73/28/45/1067732845.db2.gz IOKHNUSBIGGRDQ-UHFFFAOYSA-N 0 1 458.521 4.666 20 0 JJADMN CC(C)(C)C[C@@H](NC(=O)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1)c1ccc(F)cc1 ZINC001460882524 1067741765 /nfs/dbraw/zinc/74/17/65/1067741765.db2.gz GLUONIZCMSGCEU-KCZVDYSFSA-N 0 1 461.622 4.608 20 0 JJADMN C[C@@](CO)(c1ccc(Br)cc1)N1CCN(CCCc2ccccc2Cl)CC1 ZINC001460897754 1067745558 /nfs/dbraw/zinc/74/55/58/1067745558.db2.gz ZGZDWJVHHXXCOR-JOCHJYFZSA-N 0 1 451.836 4.560 20 0 JJADMN COc1ccccc1NC(=O)[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC001460910714 1067746630 /nfs/dbraw/zinc/74/66/30/1067746630.db2.gz ZIAAKITXJRJITF-YOSAUDMPSA-N 0 1 459.590 4.765 20 0 JJADMN CC(C)(C)OC(=O)NC[C@]12CN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C[C@@H]1CCCC2 ZINC001460970055 1067754608 /nfs/dbraw/zinc/75/46/08/1067754608.db2.gz GOKZMVCGFOAKRL-OYHNWAKOSA-N 0 1 456.414 4.949 20 0 JJADMN COC(=O)C=Cc1ccc(OCCN2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 ZINC001460983366 1067756715 /nfs/dbraw/zinc/75/67/15/1067756715.db2.gz ZPLAPEZUOCRICF-RAXLEYEMSA-N 0 1 452.551 4.657 20 0 JJADMN COc1ccc(CNCc2cn(-c3ccccc3Br)nc2C)cc1OC(F)F ZINC001461040381 1067767891 /nfs/dbraw/zinc/76/78/91/1067767891.db2.gz VKXHJABSQRCPEB-UHFFFAOYSA-N 0 1 452.299 4.843 20 0 JJADMN O=C(Nc1cccc(CNCc2c[nH]nc2-c2ccc(Br)cc2)c1)c1ccco1 ZINC001461040831 1067767922 /nfs/dbraw/zinc/76/79/22/1067767922.db2.gz SJSBXHKLIRFGNV-UHFFFAOYSA-N 0 1 451.324 4.974 20 0 JJADMN CCOc1cc(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c(F)cc1OC ZINC001461053032 1067770643 /nfs/dbraw/zinc/77/06/43/1067770643.db2.gz YHPRMHLZQXEJPL-MGPUTAFESA-N 0 1 454.945 4.577 20 0 JJADMN CCOc1cc(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c(F)cc1OC ZINC001461053030 1067770801 /nfs/dbraw/zinc/77/08/01/1067770801.db2.gz YHPRMHLZQXEJPL-FOIQADDNSA-N 0 1 454.945 4.577 20 0 JJADMN CC[C@H](C)NC(=O)c1cccc(CNCc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001461054187 1067771150 /nfs/dbraw/zinc/77/11/50/1067771150.db2.gz DGKDSHSCJRZAGB-KRWDZBQOSA-N 0 1 457.640 4.859 20 0 JJADMN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1ccc(N2CCCCC2=O)cc1 ZINC001461101663 1067782334 /nfs/dbraw/zinc/78/23/34/1067782334.db2.gz SVGIUTWGQGHEJL-UHFFFAOYSA-N 0 1 453.384 4.750 20 0 JJADMN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN[C@@H]1CCN(CC(F)(F)F)C1 ZINC001461123083 1067785805 /nfs/dbraw/zinc/78/58/05/1067785805.db2.gz YQIBLURSCQCFDS-CQSZACIVSA-N 0 1 455.739 4.926 20 0 JJADMN CCCC[C@H](NCc1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461124274 1067786011 /nfs/dbraw/zinc/78/60/11/1067786011.db2.gz RUFGILJLCJSNCR-QFIPXVFZSA-N 0 1 458.002 4.999 20 0 JJADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2cc(C)c(OCc3ccccc3C)c(C)c2)c1 ZINC001461148350 1067789538 /nfs/dbraw/zinc/78/95/38/1067789538.db2.gz JIDGBBOSXNKCFI-OAQYLSRUSA-N 0 1 452.620 4.950 20 0 JJADMN Cc1ccc(OCc2nc(CN[C@H](C)c3cc(F)ccc3N3CCN(C)CC3)cs2)cc1 ZINC001461173966 1067792656 /nfs/dbraw/zinc/79/26/56/1067792656.db2.gz YZPFGJBYYYQCNI-LJQANCHMSA-N 0 1 454.615 4.772 20 0 JJADMN Cc1ccc2nc(-c3ccc(F)cc3)c(CNCCS(=O)(=O)c3ccc(Cl)cc3)n2c1 ZINC001461177538 1067793113 /nfs/dbraw/zinc/79/31/13/1067793113.db2.gz JZCYREOTTNSOTK-UHFFFAOYSA-N 0 1 457.958 4.666 20 0 JJADMN CS(=O)(=O)c1cccc(Oc2ncccc2CNCc2ccc(Cl)c3cccnc23)c1 ZINC001461229684 1067804824 /nfs/dbraw/zinc/80/48/24/1067804824.db2.gz GZBQBRCDMWAXLA-UHFFFAOYSA-N 0 1 453.951 4.769 20 0 JJADMN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2cn3ccc(Br)cc3n2)cc1 ZINC001461286560 1067818577 /nfs/dbraw/zinc/81/85/77/1067818577.db2.gz UPRCOHCVHGYNCZ-OAHLLOKOSA-N 0 1 459.388 4.972 20 0 JJADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC001461288694 1067818885 /nfs/dbraw/zinc/81/88/85/1067818885.db2.gz KARUFVOBOAVQSE-GBXCKJPGSA-N 0 1 451.611 4.836 20 0 JJADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC001461288697 1067819029 /nfs/dbraw/zinc/81/90/29/1067819029.db2.gz KARUFVOBOAVQSE-YKSBVNFPSA-N 0 1 451.611 4.836 20 0 JJADMN CCC(CC)(COCc1ccccc1)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001461327301 1067829563 /nfs/dbraw/zinc/82/95/63/1067829563.db2.gz DUZPZKKMSIDFRY-CLJLJLNGSA-N 0 1 450.623 4.512 20 0 JJADMN Cc1ccc(CCCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC001461419134 1067851758 /nfs/dbraw/zinc/85/17/58/1067851758.db2.gz NSBXDLAFIZLDKD-OALUTQOASA-N 0 1 456.505 4.582 20 0 JJADMN Cc1ccc(OCCCC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)cc1C ZINC001461418402 1067851834 /nfs/dbraw/zinc/85/18/34/1067851834.db2.gz LHVPZVNAOBZRSX-VXKWHMMOSA-N 0 1 480.502 4.665 20 0 JJADMN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(CN(C)Cc3ccccc3)c1)CCC2 ZINC001461447456 1067858741 /nfs/dbraw/zinc/85/87/41/1067858741.db2.gz YUZTVWIKWOIRNB-AREMUKBSSA-N 0 1 456.586 4.955 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H](NCc1nc(-c2cccc(Br)c2)c[nH]1)C(C)(C)C ZINC001461478951 1067869615 /nfs/dbraw/zinc/86/96/15/1067869615.db2.gz SLLLNDOQMWIVEN-KRWDZBQOSA-N 0 1 451.409 4.868 20 0 JJADMN Cc1nn(-c2cccc(C)c2)cc1CN[C@H](C)c1ccc(Br)cc1OCCCO ZINC001461537797 1067884114 /nfs/dbraw/zinc/88/41/14/1067884114.db2.gz KREHBZPWGBBAIG-GOSISDBHSA-N 0 1 458.400 4.864 20 0 JJADMN O[C@H](CNCc1cc(OC(F)F)ccc1Br)c1ccccc1Br ZINC001461578217 1067892652 /nfs/dbraw/zinc/89/26/52/1067892652.db2.gz FSSSBTQDTBQTTG-OAHLLOKOSA-N 0 1 451.105 4.636 20 0 JJADMN Cc1cc(Br)cn2c(CN[C@H](CCO)c3cccc(OC(F)(F)F)c3)cnc12 ZINC001461589662 1067895347 /nfs/dbraw/zinc/89/53/47/1067895347.db2.gz GUGQDTWPWDGALF-QGZVFWFLSA-N 0 1 458.278 4.517 20 0 JJADMN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC001461591101 1067895832 /nfs/dbraw/zinc/89/58/32/1067895832.db2.gz HLAAMZNSYREYMI-VHSXEESVSA-N 0 1 455.290 4.789 20 0 JJADMN CC(C)[C@@H]1CN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CCN1Cc1ccccc1 ZINC001461597258 1067897630 /nfs/dbraw/zinc/89/76/30/1067897630.db2.gz IXLXOAHFVIDEBN-VXNXHJTFSA-N 0 1 457.659 4.829 20 0 JJADMN Brc1ccc2c(c1)[C@@H](NCc1cnc3ccc(Br)cn13)CSC2 ZINC001461613852 1067902233 /nfs/dbraw/zinc/90/22/33/1067902233.db2.gz AXEROZVMGTYIRX-INIZCTEOSA-N 0 1 453.203 4.937 20 0 JJADMN COc1c(Br)cc(CNCc2cccnc2N2CCCC2)cc1Br ZINC001461635777 1067906831 /nfs/dbraw/zinc/90/68/31/1067906831.db2.gz VDTWCIVVZOFWQO-UHFFFAOYSA-N 0 1 455.194 4.505 20 0 JJADMN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001461643534 1067908026 /nfs/dbraw/zinc/90/80/26/1067908026.db2.gz ZFLVFVMVLWEDOO-UYAOXDASSA-N 0 1 466.301 4.967 20 0 JJADMN FC(F)(F)c1ccc(Cn2cc(CNCc3cccc(COC[C@H]4CCCO4)c3)cn2)cc1 ZINC001461644809 1067908529 /nfs/dbraw/zinc/90/85/29/1067908529.db2.gz FOTBLJWTNQNOND-XMMPIXPASA-N 0 1 459.512 4.936 20 0 JJADMN COC[C@@H](NCc1cnc2c(C)cc(Br)cn12)c1cccc(Br)c1 ZINC001461702678 1067921935 /nfs/dbraw/zinc/92/19/35/1067921935.db2.gz LLFHFEUTFFRJHD-QGZVFWFLSA-N 0 1 453.178 4.645 20 0 JJADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC001461716845 1067924112 /nfs/dbraw/zinc/92/41/12/1067924112.db2.gz LZOHYAQTLBRPOM-HXUWFJFHSA-N 0 1 457.405 4.729 20 0 JJADMN COc1cc(CNCc2cc(C)ccn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC001461724677 1067926336 /nfs/dbraw/zinc/92/63/36/1067926336.db2.gz PRSAJEZOGUNVKV-UHFFFAOYSA-N 0 1 459.468 4.725 20 0 JJADMN O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(I)c(Cl)c1 ZINC001461752943 1067930659 /nfs/dbraw/zinc/93/06/59/1067930659.db2.gz XJNVCJXQUFXBNV-UHFFFAOYSA-N 0 1 450.038 4.866 20 0 JJADMN CCOC(=O)c1cccc2nc(NCc3cn(-c4ccc(Br)cc4)nc3C)[nH]c21 ZINC001461814247 1067941277 /nfs/dbraw/zinc/94/12/77/1067941277.db2.gz YKPTVPQFOVNUHM-UHFFFAOYSA-N 0 1 454.328 4.608 20 0 JJADMN COc1ccc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1C(C)(C)C ZINC001461905218 1067958750 /nfs/dbraw/zinc/95/87/50/1067958750.db2.gz WIFIMTILYQEEMX-KRWDZBQOSA-N 0 1 450.579 4.807 20 0 JJADMN CN(C)c1nc(C(F)(F)F)ccc1CN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001461924192 1067962411 /nfs/dbraw/zinc/96/24/11/1067962411.db2.gz ZDRZIZCYHCBHQR-SFHVURJKSA-N 0 1 456.553 4.778 20 0 JJADMN COC(=O)c1ccc(COc2ccccc2CN2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC001461971004 1067972023 /nfs/dbraw/zinc/97/20/23/1067972023.db2.gz MHWVWWKUTWRUPL-UHFFFAOYSA-N 0 1 459.542 4.853 20 0 JJADMN CN(C)C[C@H](NC(=O)c1cc(Br)cc(N(C)C)c1)c1ccc(Cl)c(Cl)c1 ZINC001462041417 1067987827 /nfs/dbraw/zinc/98/78/27/1067987827.db2.gz HRIADGFKVPTKBP-SFHVURJKSA-N 0 1 459.215 4.855 20 0 JJADMN Cc1ccc(CCC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc1Cl ZINC001462056252 1067992653 /nfs/dbraw/zinc/99/26/53/1067992653.db2.gz COQKJPHXFRWFOJ-UHFFFAOYSA-N 0 1 458.990 4.672 20 0 JJADMN CC1(C)C[C@H]1C(=O)Nc1cc(Br)ccc1CN1CCN(Cc2ccccc2)CC1 ZINC001462061743 1067994039 /nfs/dbraw/zinc/99/40/39/1067994039.db2.gz DLTWEEJABFEKBR-NRFANRHFSA-N 0 1 456.428 4.752 20 0 JJADMN CCO[C@@H]1C[C@H](NCc2cc(Cl)ccc2I)[C@@H]1Oc1ccccc1 ZINC001462117752 1068008070 /nfs/dbraw/zinc/00/80/70/1068008070.db2.gz OENBFEVRUXEKAM-OTWHNJEPSA-N 0 1 457.739 4.659 20 0 JJADMN Cc1ccc(C(=O)Nc2n[nH]c3cnc(Br)cc32)cc1NC(=O)c1ccccc1 ZINC001462195657 1068026911 /nfs/dbraw/zinc/02/69/11/1068026911.db2.gz CJTMLVDEPHVKEL-UHFFFAOYSA-N 0 1 450.296 4.533 20 0 JJADMN COC(=O)c1ccccc1-c1ccc(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)o1 ZINC001462267967 1068040989 /nfs/dbraw/zinc/04/09/89/1068040989.db2.gz NCQBTNXMFOLEMO-UZUQRXQVSA-N 0 1 450.510 4.714 20 0 JJADMN CC(=O)N1CCC(N(Cc2cncs2)Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001462265537 1068041161 /nfs/dbraw/zinc/04/11/61/1068041161.db2.gz FGIZRPZFTCMBQE-UHFFFAOYSA-N 0 1 453.583 4.874 20 0 JJADMN COc1ccc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(OCc2cccnc2)c1 ZINC001462294331 1068045627 /nfs/dbraw/zinc/04/56/27/1068045627.db2.gz KJIMDJWBRHRFLS-NFBKMPQASA-N 0 1 453.583 4.501 20 0 JJADMN CCCn1cncc1CN1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)CC1 ZINC001462341373 1068054739 /nfs/dbraw/zinc/05/47/39/1068054739.db2.gz JQJIVBRDAWTUCI-UHFFFAOYSA-N 0 1 456.635 4.510 20 0 JJADMN CC(C)(C)OC(=O)NCC1(CN2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001462339829 1068054788 /nfs/dbraw/zinc/05/47/88/1068054788.db2.gz SJHBDGSWXJUIDC-LEWJYISDSA-N 0 1 477.621 4.813 20 0 JJADMN Cc1cc(Br)ccc1NC(=O)CNCc1cnc(-c2c(F)cccc2F)s1 ZINC001462361384 1068060026 /nfs/dbraw/zinc/06/00/26/1068060026.db2.gz NWAOJBYYWGOFLN-UHFFFAOYSA-N 0 1 452.324 4.888 20 0 JJADMN COC(=O)c1cc(Br)oc1CNCC1(Cc2ccc(Br)cc2)CC1 ZINC001462436091 1068073645 /nfs/dbraw/zinc/07/36/45/1068073645.db2.gz CXUXKHJHJFDLMA-UHFFFAOYSA-N 0 1 457.162 4.704 20 0 JJADMN COC(=O)c1ccc(COc2ccccc2CN2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC001462437000 1068073996 /nfs/dbraw/zinc/07/39/96/1068073996.db2.gz ITDZTXNCUUSHNX-CVDCTZTESA-N 0 1 453.579 4.852 20 0 JJADMN CCC1(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCN(CCOC(C)C)CC2)CC1 ZINC001546132348 1068095673 /nfs/dbraw/zinc/09/56/73/1068095673.db2.gz FQRNGHMAORGZJF-UHFFFAOYSA-N 0 1 490.490 4.753 20 0 JJADMN C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001462554063 1068097484 /nfs/dbraw/zinc/09/74/84/1068097484.db2.gz AWYKRXLODKOOGG-GFCCVEGCSA-N 0 1 450.283 4.889 20 0 JJADMN O=C(CNCc1ccc(OC(F)(F)F)c(Br)c1)Nc1cccc2cccnc21 ZINC001462553695 1068097740 /nfs/dbraw/zinc/09/77/40/1068097740.db2.gz FKAQIJVDGLRASN-UHFFFAOYSA-N 0 1 454.246 4.624 20 0 JJADMN COc1ccc(C2=NO[C@H](CNCc3cnc(-c4ccc(Br)cc4)s3)C2)cc1 ZINC001462558001 1068098238 /nfs/dbraw/zinc/09/82/38/1068098238.db2.gz XNKKEOXSZDAMRR-SFHVURJKSA-N 0 1 458.381 4.864 20 0 JJADMN CC(C)(C)OC(=O)N1CCN(C[C@H]2CCc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462638564 1068120846 /nfs/dbraw/zinc/12/08/46/1068120846.db2.gz WELHDABHETUKRM-OAQYLSRUSA-N 0 1 459.631 4.506 20 0 JJADMN COC(=O)c1ccc(CNC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)c(Br)c1 ZINC001462649923 1068123715 /nfs/dbraw/zinc/12/37/15/1068123715.db2.gz VYZDLCICIOBRNL-KRWDZBQOSA-N 0 1 455.393 4.505 20 0 JJADMN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(Br)c1 ZINC001462704796 1068137018 /nfs/dbraw/zinc/13/70/18/1068137018.db2.gz AHVDKLJIQOXFPM-SFHVURJKSA-N 0 1 457.821 4.526 20 0 JJADMN C[NH+](C)Cc1ccc(-c2ccccc2C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC001462783418 1068166982 /nfs/dbraw/zinc/16/69/82/1068166982.db2.gz UDKQACNKBYVAMB-UHFFFAOYSA-N 0 1 450.938 4.825 20 0 JJADMN Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3cc(C(F)(F)F)ccc3O)cn2)c1 ZINC001462833038 1068183221 /nfs/dbraw/zinc/18/32/21/1068183221.db2.gz QAKCCBZAYPTHTA-UHFFFAOYSA-N 0 1 452.454 4.694 20 0 JJADMN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c2ccccc12 ZINC001462895753 1068206464 /nfs/dbraw/zinc/20/64/64/1068206464.db2.gz KOTQXWSMCHUPTD-DEOSSOPVSA-N 0 1 452.620 4.990 20 0 JJADMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1-c1ccccc1 ZINC001462954383 1068228243 /nfs/dbraw/zinc/22/82/43/1068228243.db2.gz KCVUFMYRXQUIMA-RUZDIDTESA-N 0 1 450.604 4.786 20 0 JJADMN CN(C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001462973159 1068234040 /nfs/dbraw/zinc/23/40/40/1068234040.db2.gz FPQCYPKUYVMQGX-UHFFFAOYSA-N 0 1 457.757 4.678 20 0 JJADMN CC(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1ccc(Cl)cc1 ZINC001463152796 1068305336 /nfs/dbraw/zinc/30/53/36/1068305336.db2.gz HAABZDXWPDFODO-ZDUSSCGKSA-N 0 1 456.438 4.524 20 0 JJADMN CCc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3ccc(OC)c(Cl)c3Cl)n2)cc1 ZINC001463321313 1068355387 /nfs/dbraw/zinc/35/53/87/1068355387.db2.gz BNYQWCWIUCITBC-NSHDSACASA-N 0 1 456.351 4.654 20 0 JJADMN COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H](CC2CCC2)c2ccccc2)s1 ZINC001463428981 1068394328 /nfs/dbraw/zinc/39/43/28/1068394328.db2.gz FQMHMJZLCDBPLD-HNNXBMFYSA-N 0 1 458.399 4.507 20 0 JJADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1ccc(CN3CCCCC3)o1)CC2 ZINC001463449733 1068401005 /nfs/dbraw/zinc/40/10/05/1068401005.db2.gz FAFQRSBYDZVZRA-FQEVSTJZSA-N 0 1 459.631 4.813 20 0 JJADMN Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001463562225 1068444090 /nfs/dbraw/zinc/44/40/90/1068444090.db2.gz CNEBNRRMWCQAQP-UHFFFAOYSA-N 0 1 454.939 4.658 20 0 JJADMN Cc1ccc(Sc2ccc(NC(=O)Cc3c(C)nc(-c4ncccn4)[nH]c3=O)cc2)c(C)c1 ZINC001463590797 1068458826 /nfs/dbraw/zinc/45/88/26/1068458826.db2.gz VKADFHVFMXKUGS-UHFFFAOYSA-N 0 1 457.559 4.897 20 0 JJADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)[nH]n1 ZINC001463620644 1068469452 /nfs/dbraw/zinc/46/94/52/1068469452.db2.gz LBKBLZKDWLDTOU-UHFFFAOYSA-N 0 1 456.502 4.989 20 0 JJADMN COc1ccc([C@@H](CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)N2CCCCC2)cc1 ZINC001463657506 1068484291 /nfs/dbraw/zinc/48/42/91/1068484291.db2.gz FBCQZPGESNNNTO-HSZRJFAPSA-N 0 1 453.583 4.844 20 0 JJADMN CCCN(C)[C@H](CNS(=O)(=O)c1ccc(C)c(Br)c1)c1ccc(Cl)cc1 ZINC001463678412 1068491050 /nfs/dbraw/zinc/49/10/50/1068491050.db2.gz XOZOZIRZPYUBGB-LJQANCHMSA-N 0 1 459.837 4.772 20 0 JJADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3(F)CCCCC3)ccc2OC)cc1 ZINC001463698455 1068497850 /nfs/dbraw/zinc/49/78/50/1068497850.db2.gz GIHXNLACUXKXJJ-UHFFFAOYSA-N 0 1 450.532 4.506 20 0 JJADMN COc1c(C)cc(S(=O)(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)cc1C ZINC001463755386 1068514379 /nfs/dbraw/zinc/51/43/79/1068514379.db2.gz MVXHNOJTUGLBSJ-DEOSSOPVSA-N 0 1 458.668 4.666 20 0 JJADMN O=S(=O)(CCC1CCCCC1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001463758620 1068515027 /nfs/dbraw/zinc/51/50/27/1068515027.db2.gz JASGKJGTYNRSQA-SANMLTNESA-N 0 1 455.668 4.848 20 0 JJADMN COc1cccc([C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)N(C)C)c1 ZINC001463769448 1068518778 /nfs/dbraw/zinc/51/87/78/1068518778.db2.gz OXAMOBQFDYXLOY-KRWDZBQOSA-N 0 1 450.379 4.645 20 0 JJADMN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CN(CC(C)C)CCO3)c2C1 ZINC001463773227 1068520727 /nfs/dbraw/zinc/52/07/27/1068520727.db2.gz BCEBQEQJUUSGJT-RTWAWAEBSA-N 0 1 451.655 4.863 20 0 JJADMN CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)N(CC)CC)cc1 ZINC001463790051 1068524655 /nfs/dbraw/zinc/52/46/55/1068524655.db2.gz DCGYMQFNEGQGSF-QGZVFWFLSA-N 0 1 459.439 4.926 20 0 JJADMN CCc1ccc([C@H](CNS(=O)(=O)c2cc(Br)ccc2C)N(CC)CC)cc1 ZINC001463790562 1068525147 /nfs/dbraw/zinc/52/51/47/1068525147.db2.gz DTJSGCRXKGWUQD-FQEVSTJZSA-N 0 1 453.446 4.681 20 0 JJADMN CC[C@@]1(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001463826125 1068538474 /nfs/dbraw/zinc/53/84/74/1068538474.db2.gz PJGZVEXNQKAOHG-RDPSFJRHSA-N 0 1 450.023 4.773 20 0 JJADMN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001463839596 1068543614 /nfs/dbraw/zinc/54/36/14/1068543614.db2.gz XIMIPBIHHMEXRY-SFTDATJTSA-N 0 1 452.039 4.923 20 0 JJADMN Cc1cc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)ccc1Cl ZINC001463843050 1068545293 /nfs/dbraw/zinc/54/52/93/1068545293.db2.gz DATRSJPINSHBFD-LADGPHEKSA-N 0 1 458.986 4.734 20 0 JJADMN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1F ZINC001463847042 1068546631 /nfs/dbraw/zinc/54/66/31/1068546631.db2.gz NYRYFEZVXABMLE-BJKOFHAPSA-N 0 1 470.585 4.837 20 0 JJADMN COc1ccc(CN2CCCN(C(=O)CCCOc3ccc(Cl)cc3Cl)CC2)cc1 ZINC001463899844 1068560132 /nfs/dbraw/zinc/56/01/32/1068560132.db2.gz RIENCCNSQMCZEJ-UHFFFAOYSA-N 0 1 451.394 4.896 20 0 JJADMN Cc1c(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001463909670 1068562460 /nfs/dbraw/zinc/56/24/60/1068562460.db2.gz WJCYLVIZTOCUGW-UHFFFAOYSA-N 0 1 456.512 4.856 20 0 JJADMN CCN(CC)[C@H](CNC(=O)[C@@H](OC)c1ccccc1Br)c1ccccc1Cl ZINC001463912145 1068562883 /nfs/dbraw/zinc/56/28/83/1068562883.db2.gz HETXAAKSIPTLCI-UXHICEINSA-N 0 1 453.808 4.989 20 0 JJADMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(C=O)o3)cc2O)cc1 ZINC001463914156 1068564273 /nfs/dbraw/zinc/56/42/73/1068564273.db2.gz PDMGBSWZVYFKNK-UHFFFAOYSA-N 0 1 454.482 4.955 20 0 JJADMN Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@H](N(C)CCc4ccccc4)C3)cc2)c1 ZINC001464022195 1068591903 /nfs/dbraw/zinc/59/19/03/1068591903.db2.gz IDUFSACLKQYQJF-QHCPKHFHSA-N 0 1 450.604 4.725 20 0 JJADMN CC[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)N1CCc2ccccc2C1 ZINC001464099825 1068615399 /nfs/dbraw/zinc/61/53/99/1068615399.db2.gz HSQJOQYYJAWLAM-NRFANRHFSA-N 0 1 456.512 4.766 20 0 JJADMN COc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC1CCCC1 ZINC001464120279 1068621750 /nfs/dbraw/zinc/62/17/50/1068621750.db2.gz JVUNKDQJPVVNEM-WOJBJXKFSA-N 0 1 452.595 4.556 20 0 JJADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)C[C@H](C)O1 ZINC001464124947 1068624269 /nfs/dbraw/zinc/62/42/69/1068624269.db2.gz XHOSZOORKHKYDO-GJZGRUSLSA-N 0 1 451.792 4.642 20 0 JJADMN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC001464225308 1068665047 /nfs/dbraw/zinc/66/50/47/1068665047.db2.gz AHRLYDCQOYEZAS-IZZNHLLZSA-N 0 1 464.631 4.567 20 0 JJADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1nc(Cl)sc1Cl ZINC001464229022 1068666370 /nfs/dbraw/zinc/66/63/70/1068666370.db2.gz QNFWFIAWCPJFCY-UHFFFAOYSA-N 0 1 452.341 4.704 20 0 JJADMN COc1ccc(S(=O)(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c(Cl)c1Cl ZINC001464243197 1068672867 /nfs/dbraw/zinc/67/28/67/1068672867.db2.gz ZZOBJRBVPOTROF-KRWDZBQOSA-N 0 1 457.423 4.725 20 0 JJADMN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2cc(F)cc(F)c2O)cc1 ZINC001464246437 1068674724 /nfs/dbraw/zinc/67/47/24/1068674724.db2.gz YVUMURBFFJSVRB-UHFFFAOYSA-N 0 1 454.473 4.707 20 0 JJADMN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NC2CCN(Cc3ccccn3)CC2)cs1 ZINC001464270745 1068683342 /nfs/dbraw/zinc/68/33/42/1068683342.db2.gz NVGPMDYAPIQFCG-UHFFFAOYSA-N 0 1 452.599 4.711 20 0 JJADMN Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3ccccc3C[N@H+](C)C3CCCCC3)n2)c1 ZINC001464401400 1068733652 /nfs/dbraw/zinc/73/36/52/1068733652.db2.gz JZWIAXRVQXUCCZ-UHFFFAOYSA-N 0 1 450.558 4.720 20 0 JJADMN C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CCCCC1 ZINC001464442069 1068747332 /nfs/dbraw/zinc/74/73/32/1068747332.db2.gz UJBUWTFPYWTGCF-UHFFFAOYSA-N 0 1 456.530 4.524 20 0 JJADMN CCCN(C(=O)c1cnc(I)c(O)c1)[C@H](C)c1cc2ccccc2o1 ZINC001464450098 1068750136 /nfs/dbraw/zinc/75/01/36/1068750136.db2.gz KAWOWOHFHHBPRF-GFCCVEGCSA-N 0 1 450.276 4.751 20 0 JJADMN CCCN1CCN(c2ccc(NC(=O)[C@H](O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC001464464997 1068756019 /nfs/dbraw/zinc/75/60/19/1068756019.db2.gz KHKQJEYLKYMGTL-HXUWFJFHSA-N 0 1 456.801 4.851 20 0 JJADMN CC(C)(CNC(=O)c1cc(-c2ccc(Br)cc2)no1)N1CCc2ccccc2C1 ZINC001464490583 1068764538 /nfs/dbraw/zinc/76/45/38/1068764538.db2.gz DCAPJARIRZYHOV-UHFFFAOYSA-N 0 1 454.368 4.671 20 0 JJADMN COC(=O)Nc1ccc(S(=O)(=O)Nc2c[nH]c3ccc(Br)cc23)cc1Cl ZINC001464515934 1068770777 /nfs/dbraw/zinc/77/07/77/1068770777.db2.gz SPENJXAATQZAEQ-UHFFFAOYSA-N 0 1 458.721 4.563 20 0 JJADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCn2ccc3cc(Cl)ccc32)CC1 ZINC001464557934 1068780820 /nfs/dbraw/zinc/78/08/20/1068780820.db2.gz GPPLKMUDDODNLF-SFHVURJKSA-N 0 1 456.993 4.843 20 0 JJADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001464562587 1068782356 /nfs/dbraw/zinc/78/23/56/1068782356.db2.gz QQLOAJHNOCOWDP-SQJMNOBHSA-N 0 1 459.656 4.662 20 0 JJADMN Cc1noc2ncc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)cc12 ZINC001464624681 1068802622 /nfs/dbraw/zinc/80/26/22/1068802622.db2.gz LPPGSUBRNWNRPB-UHFFFAOYSA-N 0 1 456.911 4.546 20 0 JJADMN COc1cc(C(=O)Nc2ccc(SC(C)(C)C)cc2C)cc(NS(C)(=O)=O)c1OC ZINC001464651027 1068811511 /nfs/dbraw/zinc/81/15/11/1068811511.db2.gz FBDQWQFHXCSUFJ-UHFFFAOYSA-N 0 1 452.598 4.527 20 0 JJADMN O=C(Nc1cc(F)c(I)c(F)c1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001464703481 1068830586 /nfs/dbraw/zinc/83/05/86/1068830586.db2.gz CLJKAGPCRHHOQX-UHFFFAOYSA-N 0 1 459.621 4.865 20 0 JJADMN C[C@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC001464707890 1068833485 /nfs/dbraw/zinc/83/34/85/1068833485.db2.gz XSCYIQNIOMADPS-OAQYLSRUSA-N 0 1 457.659 4.673 20 0 JJADMN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638330 719261127 /nfs/dbraw/zinc/26/11/27/719261127.db2.gz OLBBQUMAHMNDNX-WDDWZANVSA-N 0 1 469.633 4.910 20 0 JJADMN Cc1nc(CN2CCCC23CCN(c2ccc(C(=O)OCc4ccccc4)cn2)CC3)cs1 ZINC001164692017 719814388 /nfs/dbraw/zinc/81/43/88/719814388.db2.gz KOQXQMWTNHWIPS-UHFFFAOYSA-N 0 1 462.619 4.839 20 0 JJADMN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696632 719897463 /nfs/dbraw/zinc/89/74/63/719897463.db2.gz GKIRJGWTUZWSQH-UHFFFAOYSA-N 0 1 486.037 4.998 20 0 JJADMN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1C ZINC001164707933 719898668 /nfs/dbraw/zinc/89/86/68/719898668.db2.gz ZRLBYNLUDRSUGP-UHFFFAOYSA-N 0 1 497.734 4.837 20 0 JJADMN c1csc(CN2CCOC3(CCN(c4cc(SCc5ccccc5)ncn4)CC3)C2)c1 ZINC001164706495 719901429 /nfs/dbraw/zinc/90/14/29/719901429.db2.gz ITAHBUDBLKKWBZ-UHFFFAOYSA-N 0 1 452.649 4.702 20 0 JJADMN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729789 720392451 /nfs/dbraw/zinc/39/24/51/720392451.db2.gz WKMWJUQPGSGZCK-IAGOWNOFSA-N 0 1 450.320 4.730 20 0 JJADMN Fc1cccc(-c2cc(C(F)(F)N3CCc4ncc(CN5CCCC5)n4CC3)cnc2Cl)c1 ZINC001164736170 720588246 /nfs/dbraw/zinc/58/82/46/720588246.db2.gz GBNQEGWOUFQPEF-UHFFFAOYSA-N 0 1 475.946 4.941 20 0 JJADMN c1nc2n(c1CN1CCCC1)CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CC2 ZINC001164736480 720588602 /nfs/dbraw/zinc/58/86/02/720588602.db2.gz LGWWXLUWUXMHHD-UHFFFAOYSA-N 0 1 450.590 4.666 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164859747 721003490 /nfs/dbraw/zinc/00/34/90/721003490.db2.gz MIEMWICNRICNSY-KRWDZBQOSA-N 0 1 473.650 4.860 20 0 JJADMN Cc1sc2nc(-c3cccnc3)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164864248 721003875 /nfs/dbraw/zinc/00/38/75/721003875.db2.gz ZWSUKQFWDZZJHY-QGZVFWFLSA-N 0 1 461.639 4.988 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)[C@H]2C ZINC001164864173 721005516 /nfs/dbraw/zinc/00/55/16/721005516.db2.gz YRVSRALCNBAQOT-INIZCTEOSA-N 0 1 460.960 4.960 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@H]2C ZINC001164864219 721005635 /nfs/dbraw/zinc/00/56/35/721005635.db2.gz ZVBHCCXEXOOUEN-INIZCTEOSA-N 0 1 460.960 4.960 20 0 JJADMN CC(C)N(C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2C ZINC001164857995 721010534 /nfs/dbraw/zinc/01/05/34/721010534.db2.gz FAOZISCAFVTUJE-WAIKUNEKSA-N 0 1 458.969 4.542 20 0 JJADMN COc1cccc(Oc2nc(Cl)ncc2N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1 ZINC001164858107 721020245 /nfs/dbraw/zinc/02/02/45/721020245.db2.gz GHQZIVLKXBKGCQ-MRXNPFEDSA-N 0 1 456.978 4.549 20 0 JJADMN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866643 721077746 /nfs/dbraw/zinc/07/77/46/721077746.db2.gz UKFIPFWYPBJUTA-QZTJIDSGSA-N 0 1 479.358 4.961 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5)cc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164763654 721100667 /nfs/dbraw/zinc/10/06/67/721100667.db2.gz GMPIXMRIOLKMNO-JWQCQUIFSA-N 0 1 450.590 4.502 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(c4cnc(-c5ccccc5)c(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772758 721121678 /nfs/dbraw/zinc/12/16/78/721121678.db2.gz WKWZUMQPBILBBD-DQEYMECFSA-N 0 1 450.590 4.502 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(F)c5)c4)C[C@H]3C2)cn1 ZINC001164773848 721225691 /nfs/dbraw/zinc/22/56/91/721225691.db2.gz XJUQZDLGACZVMD-RBUKOAKNSA-N 0 1 475.946 4.778 20 0 JJADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(F)cc5)c4)C[C@@H]3C2)cn1 ZINC001164770798 721225879 /nfs/dbraw/zinc/22/58/79/721225879.db2.gz OMBPSBFESVQETO-OALUTQOASA-N 0 1 475.946 4.778 20 0 JJADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccs5)c4)C[C@@H]3C2)cn1 ZINC001164761466 721249666 /nfs/dbraw/zinc/24/96/66/721249666.db2.gz IMXIDCLBSAKNES-SJORKVTESA-N 0 1 463.985 4.700 20 0 JJADMN O=C(NC[C@H]1CCC[C@]2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C2)O1)c1ccccc1 ZINC001164874145 721256155 /nfs/dbraw/zinc/25/61/55/721256155.db2.gz JHEKYKQPTHYERN-DLFZDVPBSA-N 0 1 496.655 4.588 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164777760 721332474 /nfs/dbraw/zinc/33/24/74/721332474.db2.gz QKVDBFMOTLMSPV-DEOSSOPVSA-N 0 1 458.965 4.751 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(C)cc43)C2)C1 ZINC001164778230 721344392 /nfs/dbraw/zinc/34/43/92/721344392.db2.gz LOLUBOJKLULBPB-RUZDIDTESA-N 0 1 455.002 4.920 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc4nc(Cl)cnc4cc3Cl)C2)C1 ZINC001164779045 721347511 /nfs/dbraw/zinc/34/75/11/721347511.db2.gz PMPZDKXHFUDAMC-QHCPKHFHSA-N 0 1 476.408 4.660 20 0 JJADMN COc1ccc2c(cc(Cl)nc2N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164780693 721359286 /nfs/dbraw/zinc/35/92/86/721359286.db2.gz GOAJBLVUEIPKDU-VWLOTQADSA-N 0 1 471.001 4.621 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)c(Cl)cc43)C2)C1 ZINC001164782290 721360717 /nfs/dbraw/zinc/36/07/17/721360717.db2.gz MIMURAWOGPKKKJ-QHCPKHFHSA-N 0 1 476.408 4.660 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164786187 721369789 /nfs/dbraw/zinc/36/97/89/721369789.db2.gz WSKDNAWKPDCMHA-AREMUKBSSA-N 0 1 455.647 4.621 20 0 JJADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c(F)ccc(F)c34)C2)C1 ZINC001164783740 721376211 /nfs/dbraw/zinc/37/62/11/721376211.db2.gz OMLQAMCFPBPKJB-DEOSSOPVSA-N 0 1 476.955 4.890 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5cc(OCc6ccccc6)ccc5n4)C3)O2)CC1 ZINC001164887111 721419660 /nfs/dbraw/zinc/41/96/60/721419660.db2.gz LBJSKUGIMRQRFX-BHBYDHKZSA-N 0 1 486.660 4.579 20 0 JJADMN Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164890525 721419746 /nfs/dbraw/zinc/41/97/46/721419746.db2.gz SZCZRXQPTNONJE-KPURRNSFSA-N 0 1 489.639 4.510 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)C3)O2)CC1 ZINC001164898360 721433255 /nfs/dbraw/zinc/43/32/55/721433255.db2.gz VUHVOYDOSRINJE-LXFBAYGMSA-N 0 1 492.067 4.716 20 0 JJADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897375 721440353 /nfs/dbraw/zinc/44/03/53/721440353.db2.gz TWSBSZJGEXAZEA-NEKDWFFYSA-N 0 1 489.689 4.638 20 0 JJADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C3)O2)CC1 ZINC001164897379 721440675 /nfs/dbraw/zinc/44/06/75/721440675.db2.gz TWSBSZJGEXAZEA-QDPGVEIFSA-N 0 1 489.689 4.638 20 0 JJADMN COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)cc1 ZINC001164808358 721541316 /nfs/dbraw/zinc/54/13/16/721541316.db2.gz RPVSARCKAMMSMQ-KWXIBIRDSA-N 0 1 499.590 4.708 20 0 JJADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164809573 721546723 /nfs/dbraw/zinc/54/67/23/721546723.db2.gz VLHDCFCTQTWYRL-TWJOJJKGSA-N 0 1 451.574 4.560 20 0 JJADMN FC1(F)CCN(c2nc(Cl)ncc2OCc2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907841 721706425 /nfs/dbraw/zinc/70/64/25/721706425.db2.gz UNGIBBGIDSCIEZ-XMMPIXPASA-N 0 1 485.966 4.842 20 0 JJADMN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904197 721713219 /nfs/dbraw/zinc/71/32/19/721713219.db2.gz AMBSQFMWXOAQTR-NRFANRHFSA-N 0 1 479.909 4.961 20 0 JJADMN Fc1cccc(Oc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)c1 ZINC001164906579 721714286 /nfs/dbraw/zinc/71/42/86/721714286.db2.gz NAKMLWDLZDUEST-JOCHJYFZSA-N 0 1 490.917 4.589 20 0 JJADMN CC(C)(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2)n1 ZINC001164908905 721721013 /nfs/dbraw/zinc/72/10/13/721721013.db2.gz ZKJUQBWKLIPYOI-XMMPIXPASA-N 0 1 468.552 4.562 20 0 JJADMN FC1(F)CCN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911834 721727173 /nfs/dbraw/zinc/72/71/73/721727173.db2.gz KWDARJNECRUKEV-HSZRJFAPSA-N 0 1 455.940 4.930 20 0 JJADMN c1cc(-c2ccc3c(C4CN(c5ncnc6c5CN(Cc5ccccc5)CC6)C4)ncn3c2)co1 ZINC001165015624 721766738 /nfs/dbraw/zinc/76/67/38/721766738.db2.gz STXWZXDJYISONX-UHFFFAOYSA-N 0 1 462.557 4.546 20 0 JJADMN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015424 721767235 /nfs/dbraw/zinc/76/72/35/721767235.db2.gz QFJRSDGAFBEGLD-UHFFFAOYSA-N 0 1 450.276 4.926 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC001165023416 721843883 /nfs/dbraw/zinc/84/38/83/721843883.db2.gz ZTSIQXXQVOYAPC-UHFFFAOYSA-N 0 1 487.044 4.525 20 0 JJADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001165022748 721844097 /nfs/dbraw/zinc/84/40/97/721844097.db2.gz TXGIYYPYGLDNNP-UHFFFAOYSA-N 0 1 454.521 4.540 20 0 JJADMN c1sc2nc(-c3cccnc3)nc(N3CCN(C[C@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000015130030 721918424 /nfs/dbraw/zinc/91/84/24/721918424.db2.gz SCDCEBOUAAMZSU-OAQYLSRUSA-N 0 1 457.603 4.721 20 0 JJADMN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2 ZINC001164938964 721925536 /nfs/dbraw/zinc/92/55/36/721925536.db2.gz DSPRNUSXPLJBRK-UHFFFAOYSA-N 0 1 495.023 4.640 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nccc(-c5c[nH]c6ccccc65)n4)CC3)C2)cc1 ZINC001164939732 721926177 /nfs/dbraw/zinc/92/61/77/721926177.db2.gz MEEXDNMSVRSKFK-UHFFFAOYSA-N 0 1 453.590 4.805 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4cc(C(=O)Nc5ccccc5)ccn4)CC3)C2)cc1 ZINC001164939706 721926677 /nfs/dbraw/zinc/92/66/77/721926677.db2.gz LKSBYUWNJKINCU-UHFFFAOYSA-N 0 1 456.590 4.514 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5c4ccn5Cc4ccccc4)CC3)C2)cc1 ZINC001164941036 721927471 /nfs/dbraw/zinc/92/74/71/721927471.db2.gz ZEXCMKJANMLBKU-UHFFFAOYSA-N 0 1 467.617 4.659 20 0 JJADMN Cc1ccc(CN2CCOC3(CCN(c4nc(-c5ccccn5)nc5ccccc54)CC3)C2)cc1 ZINC001164940631 721931347 /nfs/dbraw/zinc/93/13/47/721931347.db2.gz VBAZGZZCXMPYIY-UHFFFAOYSA-N 0 1 465.601 4.872 20 0 JJADMN c1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)cc1 ZINC001164962175 722054659 /nfs/dbraw/zinc/05/46/59/722054659.db2.gz AJJBEMZSUIXMGD-UHFFFAOYSA-N 0 1 465.601 4.811 20 0 JJADMN c1ccc(Cc2nnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c3ccccc23)cc1 ZINC001164962351 722059463 /nfs/dbraw/zinc/05/94/63/722059463.db2.gz RIGCXGSVDZMOLD-UHFFFAOYSA-N 0 1 479.628 4.735 20 0 JJADMN c1sc2nc(-c3ccccn3)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1-c1ccccc1 ZINC001164966891 722075798 /nfs/dbraw/zinc/07/57/98/722075798.db2.gz GXNKXDYUENSOCY-OYRHEFFESA-N 0 1 469.614 4.720 20 0 JJADMN CN(C)C(=O)c1cc2cnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2n1C1CCCC1 ZINC001164995388 722199866 /nfs/dbraw/zinc/19/98/66/722199866.db2.gz NEJBAHFOCQIRHO-NDEPHWFRSA-N 0 1 490.627 4.632 20 0 JJADMN