smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C[C@H]3CCO)CC2)c1CN1CC[C@@H](CO)C1 ZINC001164392379 718811179 /nfs/dbraw/zinc/81/11/79/718811179.db2.gz MDNUNDGTOFLCOI-RTBURBONSA-N 0 1 444.620 2.869 20 0 IFADMN c1ccc(CN2CCc3nc(N4C[C@@H]5OCCN(c6ncccn6)[C@H]5C4)ccc3C2)cc1 ZINC001164694807 719796651 /nfs/dbraw/zinc/79/66/51/719796651.db2.gz HOJRIMQFEUSCEO-GOTSBHOMSA-N 0 1 428.540 2.524 20 0 IFADMN c1nc2n(c1CN1CCCC1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164736165 720583489 /nfs/dbraw/zinc/58/34/89/720583489.db2.gz FVUKRYUWLTUZJJ-UHFFFAOYSA-N 0 1 432.528 2.770 20 0 IFADMN Clc1ncc(OCc2ccccc2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740066 720702962 /nfs/dbraw/zinc/70/29/62/720702962.db2.gz PLVFEQQNZGBNFD-MSOLQXFVSA-N 0 1 438.919 2.841 20 0 IFADMN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738999 720720523 /nfs/dbraw/zinc/72/05/23/720720523.db2.gz HKCGOLYXDDYIEG-HOTGVXAUSA-N 0 1 432.862 2.960 20 0 IFADMN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739001 720722513 /nfs/dbraw/zinc/72/25/13/720722513.db2.gz HKCGOLYXDDYIEG-HZPDHXFCSA-N 0 1 432.862 2.960 20 0 IFADMN Fc1cccc(Oc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739448 720727757 /nfs/dbraw/zinc/72/77/57/720727757.db2.gz IQZNNGMRNLNHJP-GOEBONIOSA-N 0 1 443.870 2.588 20 0 IFADMN Clc1cccc(COc2cncc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164742376 720801835 /nfs/dbraw/zinc/80/18/35/720801835.db2.gz CYDJZMVYNPYKIK-MOPGFXCFSA-N 0 1 438.919 2.841 20 0 IFADMN COC(=O)c1cc2c(OC)[nH]c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)cc-2n1 ZINC001164860743 720957449 /nfs/dbraw/zinc/95/74/49/720957449.db2.gz ROUGCEQDQTYPRF-AWEZNQCLSA-N 0 1 426.521 2.976 20 0 IFADMN CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@H]2C ZINC001164857965 721023947 /nfs/dbraw/zinc/02/39/47/721023947.db2.gz DQVAJWIGSMREFY-NSHDSACASA-N 0 1 428.871 2.991 20 0 IFADMN CN(C)c1cc(Cl)nc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868890 721060280 /nfs/dbraw/zinc/06/02/80/721060280.db2.gz QXZOAOSXUWISHA-HZPDHXFCSA-N 0 1 438.910 2.616 20 0 IFADMN COC(=O)c1cc(C(F)(F)N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cnc1Cl ZINC001164773758 721105642 /nfs/dbraw/zinc/10/56/42/721105642.db2.gz YVODZRZKLYVCEU-HUUCEWRRSA-N 0 1 439.894 2.758 20 0 IFADMN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164764192 721122362 /nfs/dbraw/zinc/12/23/62/721122362.db2.gz HHQKPBBKOVOAKC-LSDHHAIUSA-N 0 1 439.894 2.758 20 0 IFADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164765092 721159114 /nfs/dbraw/zinc/15/91/14/721159114.db2.gz IXEXXRSLQGNZPA-LSDHHAIUSA-N 0 1 433.894 2.915 20 0 IFADMN Cc1ccc2nc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)c(Cl)nc2c1 ZINC001164870304 721270893 /nfs/dbraw/zinc/27/08/93/721270893.db2.gz VNBUUBCZZPYBGK-UHFFFAOYSA-N 0 1 431.968 2.599 20 0 IFADMN Cc1sc2nc(C)nc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)c2c1C ZINC001164869833 721272135 /nfs/dbraw/zinc/27/21/35/721272135.db2.gz PFTXAQZRNLLNPT-UHFFFAOYSA-N 0 1 431.606 2.624 20 0 IFADMN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(C(F)F)nc4ccccc43)CC2)C1 ZINC001164873814 721287164 /nfs/dbraw/zinc/28/71/64/721287164.db2.gz BHYCTYFVARPBMI-UHFFFAOYSA-N 0 1 433.503 2.574 20 0 IFADMN CN(C)C(=O)CN1CCOCC2(CCN(c3c(Cl)nc(Cl)nc3C3CC3)CC2)C1 ZINC001164878591 721292426 /nfs/dbraw/zinc/29/24/26/721292426.db2.gz RKLLUTACBIXFJK-UHFFFAOYSA-N 0 1 442.391 2.668 20 0 IFADMN CN1CCN(c2cccc(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)n2)CC1 ZINC001164776594 721326327 /nfs/dbraw/zinc/32/63/27/721326327.db2.gz GRIXHSCYNJIUQK-SFHVURJKSA-N 0 1 427.524 2.574 20 0 IFADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(Cl)c(C(N)=O)n3)C2)C1 ZINC001164777429 721336594 /nfs/dbraw/zinc/33/65/94/721336594.db2.gz NEQOUTDHZOQBIX-NRFANRHFSA-N 0 1 433.940 2.558 20 0 IFADMN CCOC(=O)Cc1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164778769 721351406 /nfs/dbraw/zinc/35/14/06/721351406.db2.gz OLHRHZPXJUUALG-DEOSSOPVSA-N 0 1 442.560 2.911 20 0 IFADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3[nH+][n-]c(Cl)c4ncnc3-4)C2)C1 ZINC001164780002 721357053 /nfs/dbraw/zinc/35/70/53/721357053.db2.gz BVXCMIJTJPPBLT-HXUWFJFHSA-N 0 1 431.928 2.730 20 0 IFADMN CCn1cnc2c1ncnc2N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164780223 721366278 /nfs/dbraw/zinc/36/62/78/721366278.db2.gz DILICRBSMAOWHM-JOCHJYFZSA-N 0 1 425.537 2.570 20 0 IFADMN Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164884456 721384318 /nfs/dbraw/zinc/38/43/18/721384318.db2.gz BCYXVICHQWHXCY-LPHOPBHVSA-N 0 1 429.943 2.749 20 0 IFADMN CN1CCN(c2cccc(N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)n2)CC1 ZINC001164779613 721385521 /nfs/dbraw/zinc/38/55/21/721385521.db2.gz BEKNRPIPPGZKIH-RDGATRHJSA-N 0 1 437.588 2.821 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)C3)O2)CC1 ZINC001164887387 721389470 /nfs/dbraw/zinc/38/94/70/721389470.db2.gz HXMOZNGRCNOZRA-RDPSFJRHSA-N 0 1 430.593 2.802 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSCC5)C3)O2)CC1 ZINC001164887741 721389765 /nfs/dbraw/zinc/38/97/65/721389765.db2.gz IFLQFISRHDOEPY-HRAATJIYSA-N 0 1 438.041 2.685 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)C3)O2)CC1 ZINC001164887381 721389842 /nfs/dbraw/zinc/38/98/42/721389842.db2.gz HXMOZNGRCNOZRA-GBXCKJPGSA-N 0 1 430.593 2.802 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)C3)O2)CC1 ZINC001164892186 721392245 /nfs/dbraw/zinc/39/22/45/721392245.db2.gz SANBXFVMUMYGTP-WZONZLPQSA-N 0 1 446.596 2.589 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4COC5(C)C)C3)O2)CC1 ZINC001164892924 721398146 /nfs/dbraw/zinc/39/81/46/721398146.db2.gz URVOLAQIMFZUKO-KSFYIVLOSA-N 0 1 436.000 2.661 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164886240 721414191 /nfs/dbraw/zinc/41/41/91/721414191.db2.gz IJXDUDODPVOBSI-BEFAXECRSA-N 0 1 429.943 2.628 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(OCc5ccccc5)cnn4)C3)O2)CC1 ZINC001164891452 721419102 /nfs/dbraw/zinc/41/91/02/721419102.db2.gz WGCKSQDBLHRRLE-DHLKQENFSA-N 0 1 437.588 2.821 20 0 IFADMN COC(=O)c1cc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164883495 721422537 /nfs/dbraw/zinc/42/25/37/721422537.db2.gz ADSPDSQIGUXLGQ-CJFMBICVSA-N 0 1 438.572 2.787 20 0 IFADMN COc1ccccc1-c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nn1 ZINC001164898760 721434972 /nfs/dbraw/zinc/43/49/72/721434972.db2.gz WWIZNPMOZIIAEB-NLFFAJNJSA-N 0 1 437.588 2.918 20 0 IFADMN COC(=O)c1cc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1C ZINC001164890407 721447676 /nfs/dbraw/zinc/44/76/76/721447676.db2.gz RMPFMSBKDNMNDQ-VGOFRKELSA-N 0 1 436.984 2.595 20 0 IFADMN COC(=O)c1cc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1C ZINC001164890402 721447866 /nfs/dbraw/zinc/44/78/66/721447866.db2.gz RMPFMSBKDNMNDQ-HTAPYJJXSA-N 0 1 436.984 2.595 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)CC1 ZINC001164795283 721509430 /nfs/dbraw/zinc/50/94/30/721509430.db2.gz JNSAZIHDKXETDY-UHFFFAOYSA-N 0 1 431.318 2.897 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2ncnc4cc(C(C)(C)C)sc42)CC3)CC1 ZINC001164794115 721511425 /nfs/dbraw/zinc/51/14/25/721511425.db2.gz GJZKYDDIDQKPRM-UHFFFAOYSA-N 0 1 425.606 2.953 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2nccc(SCc4ccccc4)n2)CC3)CC1 ZINC001164795685 721521291 /nfs/dbraw/zinc/52/12/91/721521291.db2.gz RLWHTRRIPBMUJK-UHFFFAOYSA-N 0 1 435.601 2.733 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)CC3)CC1 ZINC001164795664 721522496 /nfs/dbraw/zinc/52/24/96/721522496.db2.gz QRBHZNXBVZFYBH-UHFFFAOYSA-N 0 1 436.938 2.819 20 0 IFADMN COC(=O)CSc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164800865 721571348 /nfs/dbraw/zinc/57/13/48/721571348.db2.gz FTMYJRGZDBTZRS-KGVIQGDOSA-N 0 1 428.558 2.610 20 0 IFADMN CN1CCN(c2cccc(N3CCC4(CCOC[C@@H]4COc4cccnc4)CC3)n2)CC1 ZINC001164799312 721603963 /nfs/dbraw/zinc/60/39/63/721603963.db2.gz JOFHHEWKIYNNLF-OAQYLSRUSA-N 0 1 437.588 2.931 20 0 IFADMN CCOC(=O)c1cnc(OC)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904907 721700395 /nfs/dbraw/zinc/70/03/95/721700395.db2.gz HNTMVYXEZRBWFI-OAQYLSRUSA-N 0 1 447.486 2.795 20 0 IFADMN CON(C)C(=O)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164909149 721730655 /nfs/dbraw/zinc/73/06/55/721730655.db2.gz CNYGJPUTAGMVNB-NRFANRHFSA-N 0 1 431.487 2.848 20 0 IFADMN O=C1CSc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2N1 ZINC001164912611 721736733 /nfs/dbraw/zinc/73/67/33/721736733.db2.gz OVHYZZQUMONRSE-LJQANCHMSA-N 0 1 432.500 2.654 20 0 IFADMN CN(C)C(=O)CN1CCC2(CCCN2c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001165010297 721743477 /nfs/dbraw/zinc/74/34/77/721743477.db2.gz LJLFEXALZYIXPN-UHFFFAOYSA-N 0 1 426.565 2.952 20 0 IFADMN CN1CCN(c2cccc(N3CC[C@@]4(C3)COCc3cnc(-c5ccccc5)nc34)n2)CC1 ZINC001164928789 721898820 /nfs/dbraw/zinc/89/88/20/721898820.db2.gz PCODQNFIJJIPMU-AREMUKBSSA-N 0 1 442.567 2.969 20 0 IFADMN CN(C)C(=O)c1cc2cnc(N3CCN(C[C@@H]4CCCO4)CC3)nc2n1C1CCCC1 ZINC001165038400 721909885 /nfs/dbraw/zinc/90/98/85/721909885.db2.gz LGIZPTMHXKYAHY-IBGZPJMESA-N 0 1 426.565 2.549 20 0 IFADMN COC(=O)c1cc2cnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nc2n1C ZINC001164940004 721930210 /nfs/dbraw/zinc/93/02/10/721930210.db2.gz PLCGGUWMNLAVMG-UHFFFAOYSA-N 0 1 449.555 2.935 20 0 IFADMN Cc1cc(CN(C)c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@H](CO)C2)n(C)n1 ZINC001165051104 721990013 /nfs/dbraw/zinc/99/00/13/721990013.db2.gz NYOGBJAACFBOCF-KRWDZBQOSA-N 0 1 428.581 2.559 20 0 IFADMN COC(=O)c1cccc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ncc21 ZINC001164963879 722054533 /nfs/dbraw/zinc/05/45/33/722054533.db2.gz PKTKTZUDDSABPL-UHFFFAOYSA-N 0 1 447.539 2.930 20 0 IFADMN CN(C)C(=O)c1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(Cl)c1 ZINC001164962213 722059826 /nfs/dbraw/zinc/05/98/26/722059826.db2.gz QEBMBXIPYLGVRV-UHFFFAOYSA-N 0 1 443.979 2.951 20 0 IFADMN O=C(NCCSCc1ccco1)c1cccnc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967181 722073709 /nfs/dbraw/zinc/07/37/09/722073709.db2.gz MOLSYBWBZAYPEG-BGYRXZFFSA-N 0 1 442.585 2.637 20 0 IFADMN Cc1nc2c(nc(Cl)nc2N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)[nH]1 ZINC001164991893 722179202 /nfs/dbraw/zinc/17/92/02/722179202.db2.gz YZYZHJXKTGVEMY-HUUCEWRRSA-N 0 1 433.969 2.949 20 0 IFADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(N4CCOCC4)nc4c2CCN4)C3)c1 ZINC001164993692 722196727 /nfs/dbraw/zinc/19/67/27/722196727.db2.gz HSTTTZBVVWTWCO-XMMPIXPASA-N 0 1 438.551 2.665 20 0 IFADMN CN1CCN(c2ccc(N3CCC4(CC3)C(=O)N(CC3CC3)[C@H]4c3ccccc3)nn2)CC1 ZINC001164998332 722221179 /nfs/dbraw/zinc/22/11/79/722221179.db2.gz INVDEUOAOLSOQO-DEOSSOPVSA-N 0 1 446.599 2.809 20 0 IFADMN CC(=O)NCc1ncn2c1CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CCC2 ZINC001165000503 722227815 /nfs/dbraw/zinc/22/78/15/722227815.db2.gz SVALFNHGHHMLOQ-UHFFFAOYSA-N 0 1 430.556 2.883 20 0 IFADMN CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C[C@@H]3CCO)CC2)c1CN1CC[C@@H](CO)C1 ZINC001164392376 718811248 /nfs/dbraw/zinc/81/12/48/718811248.db2.gz MDNUNDGTOFLCOI-MOPGFXCFSA-N 0 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GYCSMKALNWDOLA-SFTDATJTSA-N 0 1 432.528 2.670 20 0 IFADMN Clc1nc2c(Cl)ncnc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985010 722150317 /nfs/dbraw/zinc/15/03/17/722150317.db2.gz YTSKVBSOVNOLLL-LSDHHAIUSA-N 0 1 446.342 2.849 20 0 IFADMN Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)[nH]1 ZINC001164991885 722179087 /nfs/dbraw/zinc/17/90/87/722179087.db2.gz YZYZHJXKTGVEMY-CABCVRRESA-N 0 1 433.969 2.949 20 0 IFADMN Cc1nc2c(nc(Cl)nc2N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)[nH]1 ZINC001164991896 722179108 /nfs/dbraw/zinc/17/91/08/722179108.db2.gz YZYZHJXKTGVEMY-LSDHHAIUSA-N 0 1 433.969 2.949 20 0 IFADMN Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CCOCC5)n4)CC[C@H]32)cs1 ZINC001164987552 722184402 /nfs/dbraw/zinc/18/44/02/722184402.db2.gz IJWFXXRHIJXEQJ-UXHICEINSA-N 0 1 429.590 2.553 20 0 IFADMN CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C[C@H]3CCO)CC2)c1CN1CC[C@H](CO)C1 ZINC001164392378 718811309 /nfs/dbraw/zinc/81/13/09/718811309.db2.gz MDNUNDGTOFLCOI-RBUKOAKNSA-N 0 1 444.620 2.869 20 0 IFADMN CC(C)CN1CCN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)CC1 ZINC001164657551 719336693 /nfs/dbraw/zinc/33/66/93/719336693.db2.gz RFMWCAAADGRPPS-OAQYLSRUSA-N 0 1 438.979 2.795 20 0 IFADMN CN1CCO[C@@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@H]21 ZINC001164670546 719376498 /nfs/dbraw/zinc/37/64/98/719376498.db2.gz VDCYYGGTSHUONM-FGZHOGPDSA-N 0 1 445.502 2.547 20 0 IFADMN COC(=O)c1sc2nc(Cc3ccccc3)nc(N3C[C@@H]4OCCN(C)[C@H]4C3)c2c1C ZINC001164670195 719445120 /nfs/dbraw/zinc/44/51/20/719445120.db2.gz NSEMUBYFXGWMDS-IRXDYDNUSA-N 0 1 438.553 2.896 20 0 IFADMN COC(=O)c1sc2nc(Cc3ccccc3)nc(N3C[C@H]4OCCN(C)[C@H]4C3)c2c1C ZINC001164670193 719445802 /nfs/dbraw/zinc/44/58/02/719445802.db2.gz NSEMUBYFXGWMDS-DLBZAZTESA-N 0 1 438.553 2.896 20 0 IFADMN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4c2CNCC4)CC3)cc1 ZINC001164668080 719493310 /nfs/dbraw/zinc/49/33/10/719493310.db2.gz NVEGRGPYGCAYLH-UHFFFAOYSA-N 0 1 431.943 2.786 20 0 IFADMN Cc1nc(CN2CCCC23CCN(c2ccc(S(=O)(=O)N(C)C)cn2)CC3)cs1 ZINC001164692199 719813427 /nfs/dbraw/zinc/81/34/27/719813427.db2.gz NZCVWXGKHBYYRD-UHFFFAOYSA-N 0 1 435.619 2.732 20 0 IFADMN COC(=O)c1ccc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)c(Cl)n1 ZINC001164727090 720563374 /nfs/dbraw/zinc/56/33/74/720563374.db2.gz BCAFGZYYQJONEF-UHFFFAOYSA-N 0 1 439.894 2.922 20 0 IFADMN FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736820 720585144 /nfs/dbraw/zinc/58/51/44/720585144.db2.gz UVMVKAFJCNEJDR-LJQANCHMSA-N 0 1 444.889 2.790 20 0 IFADMN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744393 720721593 /nfs/dbraw/zinc/72/15/93/720721593.db2.gz ZPJCWPKZAHEXSM-LSDHHAIUSA-N 0 1 431.924 2.822 20 0 IFADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3scnc3c(N3CCOCC3)n1)[C@H]2C ZINC001164859135 720944793 /nfs/dbraw/zinc/94/47/93/720944793.db2.gz KQDLOCVMZYCIFY-HNNXBMFYSA-N 0 1 442.593 2.541 20 0 IFADMN CCOC(=O)N1CCc2nnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)cc2C1 ZINC001164862500 721002521 /nfs/dbraw/zinc/00/25/21/721002521.db2.gz STKZTFKVPQWDGI-MRXNPFEDSA-N 0 1 427.553 2.609 20 0 IFADMN CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@@H]2C ZINC001164857964 721023276 /nfs/dbraw/zinc/02/32/76/721023276.db2.gz DQVAJWIGSMREFY-LLVKDONJSA-N 0 1 428.871 2.991 20 0 IFADMN Cn1cc(CN2CC[C@H]3CN(c4ncccc4C(=O)NCc4ccccc4)C[C@H]3C2)cn1 ZINC001164773090 721084945 /nfs/dbraw/zinc/08/49/45/721084945.db2.gz WATBHAFEDVUSIH-FCHUYYIVSA-N 0 1 430.556 2.703 20 0 IFADMN COc1cc2nc(Cl)c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164765180 721137761 /nfs/dbraw/zinc/13/77/61/721137761.db2.gz JEEAGNAZVNSPNA-CVEARBPZSA-N 0 1 442.951 2.992 20 0 IFADMN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164771801 721150597 /nfs/dbraw/zinc/15/05/97/721150597.db2.gz UDOJGKMDJUSMSA-ZBFHGGJFSA-N 0 1 439.894 2.758 20 0 IFADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C[C@H]3C2)cn1 ZINC001164768129 721151063 /nfs/dbraw/zinc/15/10/63/721151063.db2.gz NJDBSSYTDQALLB-IAGOWNOFSA-N 0 1 430.984 2.955 20 0 IFADMN COc1cc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164868449 721191406 /nfs/dbraw/zinc/19/14/06/721191406.db2.gz MWOCDUIJJYXVKI-CABCVRRESA-N 0 1 425.867 2.558 20 0 IFADMN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772351 721193892 /nfs/dbraw/zinc/19/38/92/721193892.db2.gz SRDJXAITMSSVKJ-GJZGRUSLSA-N 0 1 439.894 2.758 20 0 IFADMN c1ccc(CN2CCc3nc(N4C[C@H]5OCCN(c6cnccn6)[C@@H]5C4)ccc3C2)cc1 ZINC001164761922 721261030 /nfs/dbraw/zinc/26/10/30/721261030.db2.gz KJQAWKFADSLMMA-DHIUTWEWSA-N 0 1 428.540 2.524 20 0 IFADMN CN(C)C(=O)CN1CCOCC2(CCN(c3cc(-c4ccnc(Cl)c4)ccn3)CC2)C1 ZINC001164870315 721266840 /nfs/dbraw/zinc/26/68/40/721266840.db2.gz VQGOBLBJKNWAHI-UHFFFAOYSA-N 0 1 443.979 2.804 20 0 IFADMN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164868526 721274409 /nfs/dbraw/zinc/27/44/09/721274409.db2.gz AJGQIZJEYNOFRM-UHFFFAOYSA-N 0 1 430.927 2.595 20 0 IFADMN Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164874937 721290786 /nfs/dbraw/zinc/29/07/86/721290786.db2.gz FMWJXOYKFFRVKQ-UHFFFAOYSA-N 0 1 441.551 2.598 20 0 IFADMN Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164878619 721291485 /nfs/dbraw/zinc/29/14/85/721291485.db2.gz ROMLCIHWXUZJCQ-UHFFFAOYSA-N 0 1 441.551 2.598 20 0 IFADMN Cc1cnc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc1-c1ccccc1F ZINC001164879075 721292014 /nfs/dbraw/zinc/29/20/14/721292014.db2.gz UNUQYVXGQNENBF-UHFFFAOYSA-N 0 1 441.551 2.598 20 0 IFADMN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1 ZINC001164879625 721292145 /nfs/dbraw/zinc/29/21/45/721292145.db2.gz XLDLNJMFOJYQCQ-MRXNPFEDSA-N 0 1 438.016 2.959 20 0 IFADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(N)=O)C2)C1 ZINC001164778080 721336261 /nfs/dbraw/zinc/33/62/61/721336261.db2.gz UGIFDFNIGYTPCZ-OAQYLSRUSA-N 0 1 433.940 2.558 20 0 IFADMN COc1cnc2c(c1)ncnc2N1CCC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164782922 721362758 /nfs/dbraw/zinc/36/27/58/721362758.db2.gz NIENCCZJAPBZHJ-QHCPKHFHSA-N 0 1 438.532 2.757 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CSCC5)C3)O2)CC1 ZINC001164887761 721389524 /nfs/dbraw/zinc/38/95/24/721389524.db2.gz IFLQFISRHDOEPY-IERDGZPVSA-N 0 1 438.041 2.685 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)C3)O2)CC1 ZINC001164887390 721389640 /nfs/dbraw/zinc/38/96/40/721389640.db2.gz HXMOZNGRCNOZRA-YKSBVNFPSA-N 0 1 430.593 2.802 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164891872 721399393 /nfs/dbraw/zinc/39/93/93/721399393.db2.gz RBXMGWODECLBOE-QFBILLFUSA-N 0 1 430.927 2.925 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164887411 721399746 /nfs/dbraw/zinc/39/97/46/721399746.db2.gz HZQLNQCNKFPMEN-PKOBYXMFSA-N 0 1 430.927 2.925 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164883945 721401158 /nfs/dbraw/zinc/40/11/58/721401158.db2.gz CTBVYODQIDGVCS-CVDCTZTESA-N 0 1 442.995 2.957 20 0 IFADMN COC(=O)c1ccc2c(ccnc2N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164886591 721404203 /nfs/dbraw/zinc/40/42/03/721404203.db2.gz KGOTZLAHGLSLGF-PXDATVDWSA-N 0 1 438.572 2.787 20 0 IFADMN COC(=O)c1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)ccc2c1 ZINC001164883963 721406106 /nfs/dbraw/zinc/40/61/06/721406106.db2.gz CTJQQOCBEBVRNY-SQJMNOBHSA-N 0 1 438.572 2.787 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)C3)O2)CC1 ZINC001164892969 721410557 /nfs/dbraw/zinc/41/05/57/721410557.db2.gz ZPIYNKQSRGXZLP-HYBUGGRVSA-N 0 1 430.593 2.802 20 0 IFADMN CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(Cl)c1 ZINC001164890366 721414280 /nfs/dbraw/zinc/41/42/80/721414280.db2.gz SGTSUUYSWOUXCN-AVRDEDQJSA-N 0 1 436.984 2.677 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164886243 721414489 /nfs/dbraw/zinc/41/44/89/721414489.db2.gz IJXDUDODPVOBSI-DNVCBOLYSA-N 0 1 429.943 2.628 20 0 IFADMN Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)s1 ZINC001164885791 721416527 /nfs/dbraw/zinc/41/65/27/721416527.db2.gz HJEYTEIDMTYOOB-MGPUTAFESA-N 0 1 437.013 2.814 20 0 IFADMN COC(=O)c1cc2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164883496 721422655 /nfs/dbraw/zinc/42/26/55/721422655.db2.gz ADSPDSQIGUXLGQ-CPJSRVTESA-N 0 1 438.572 2.787 20 0 IFADMN CCOC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1Cl ZINC001164892374 721427461 /nfs/dbraw/zinc/42/74/61/721427461.db2.gz IJVPAEIKLJAERK-HTAPYJJXSA-N 0 1 436.984 2.677 20 0 IFADMN CCOC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1Cl ZINC001164892378 721427774 /nfs/dbraw/zinc/42/77/74/721427774.db2.gz IJVPAEIKLJAERK-VGOFRKELSA-N 0 1 436.984 2.677 20 0 IFADMN COc1ccccc1-c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164899807 721437966 /nfs/dbraw/zinc/43/79/66/721437966.db2.gz ZDZZITUNRVGEAX-NBGIEHNGSA-N 0 1 437.588 2.918 20 0 IFADMN Cc1nc(-c2ccncc2)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1C ZINC001164893003 721442062 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429.540 2.543 20 0 IFADMN CSc1nc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2s1 ZINC001164892411 721424448 /nfs/dbraw/zinc/42/44/48/721424448.db2.gz YAPHOUJDQRYHOV-MGPUTAFESA-N 0 1 434.635 2.574 20 0 IFADMN COc1cccc(-c2ccnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)n2)c1 ZINC001164891964 721424691 /nfs/dbraw/zinc/42/46/91/721424691.db2.gz XGVBKJNWVPCKPV-DHLKQENFSA-N 0 1 437.588 2.918 20 0 IFADMN CCCN(CCC)c1cncc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164892983 721425629 /nfs/dbraw/zinc/42/56/29/721425629.db2.gz INFLOHMPUDYEQL-XUZZJYLKSA-N 0 1 430.641 2.868 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164890779 721426720 /nfs/dbraw/zinc/42/67/20/721426720.db2.gz FOERLMTXVHKEFQ-WIOPSUGQSA-N 0 1 437.588 2.821 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164890778 721427005 /nfs/dbraw/zinc/42/70/05/721427005.db2.gz FOERLMTXVHKEFQ-RDGATRHJSA-N 0 1 437.588 2.821 20 0 IFADMN CCOC(=O)c1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1Cl ZINC001164892376 721427955 /nfs/dbraw/zinc/42/79/55/721427955.db2.gz IJVPAEIKLJAERK-JTSKRJEESA-N 0 1 436.984 2.677 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(N)c4)C3)O2)CC1 ZINC001164897418 721430887 /nfs/dbraw/zinc/43/08/87/721430887.db2.gz UAABQTWSNRZQHJ-QFBILLFUSA-N 0 1 429.943 2.628 20 0 IFADMN COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)cc1 ZINC001164893008 721433204 /nfs/dbraw/zinc/43/32/04/721433204.db2.gz IOZWTWMIHBMQPZ-RDGATRHJSA-N 0 1 437.588 2.918 20 0 IFADMN COc1cccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)c1 ZINC001164891517 721435360 /nfs/dbraw/zinc/43/53/60/721435360.db2.gz GWBYPTPHZXWLBG-RDGATRHJSA-N 0 1 437.588 2.918 20 0 IFADMN COc1cccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nn2)c1 ZINC001164891520 721435899 /nfs/dbraw/zinc/43/58/99/721435899.db2.gz GWBYPTPHZXWLBG-WIOPSUGQSA-N 0 1 437.588 2.918 20 0 IFADMN Cc1nc(-c2ccccn2)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1C ZINC001164893702 721442077 /nfs/dbraw/zinc/44/20/77/721442077.db2.gz JZNZIVSJJHGHIF-SQJMNOBHSA-N 0 1 436.604 2.921 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CCCCCC5)n4)C3)O2)CC1 ZINC001164894920 721442462 /nfs/dbraw/zinc/44/24/62/721442462.db2.gz NIEQTTVMOQARKZ-QPPBQGQZSA-N 0 1 428.625 2.622 20 0 IFADMN COC(=O)c1cccc2nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)ccc21 ZINC001164891491 721442919 /nfs/dbraw/zinc/44/29/19/721442919.db2.gz GRJLDCWFWYSORQ-CLOONOSVSA-N 0 1 438.572 2.787 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cncc(OCC5CCCC5)n4)C3)O2)CC1 ZINC001164889632 721448182 /nfs/dbraw/zinc/44/81/82/721448182.db2.gz OLTNXCUJKXQKAA-ZJSXRUAMSA-N 0 1 429.609 2.811 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164884932 721448334 /nfs/dbraw/zinc/44/83/34/721448334.db2.gz CUWQQLXBEIVKNR-CVDCTZTESA-N 0 1 442.995 2.957 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4nc(Cl)cnc4c2)CC3)CC1 ZINC001164795003 721512546 /nfs/dbraw/zinc/51/25/46/721512546.db2.gz ZXZFDVGLQZSBAZ-UHFFFAOYSA-N 0 1 447.921 2.792 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4cc(Cl)ccc42)CC3)CC1 ZINC001164794304 721513083 /nfs/dbraw/zinc/51/30/83/721513083.db2.gz NGQJRTSNFPIPNW-UHFFFAOYSA-N 0 1 432.359 2.901 20 0 IFADMN CCc1nc2sc3c(c2c(N2CCn4cc(CN5CCN(C)CC5)nc4C2)n1)CCC3 ZINC001164799212 721518993 /nfs/dbraw/zinc/51/89/93/721518993.db2.gz YWSRGWBFXGMLDD-UHFFFAOYSA-N 0 1 437.617 2.707 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc(-c4ccc(F)cc4)n2)CC3)CC1 ZINC001164795871 721520167 /nfs/dbraw/zinc/52/01/67/721520167.db2.gz TYACCPSMCDKPON-UHFFFAOYSA-N 0 1 441.942 2.900 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccncc4)nc4sccc42)CC3)CC1 ZINC001164795121 721521262 /nfs/dbraw/zinc/52/12/62/721521262.db2.gz JSGSNVSCBXFZDJ-UHFFFAOYSA-N 0 1 446.584 2.717 20 0 IFADMN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904693 721567995 /nfs/dbraw/zinc/56/79/95/721567995.db2.gz FIGNIUZRMYEXJJ-TZMCWYRMSA-N 0 1 442.825 2.854 20 0 IFADMN COC(=O)CSc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164800874 721571575 /nfs/dbraw/zinc/57/15/75/721571575.db2.gz FTMYJRGZDBTZRS-SPEDKVCISA-N 0 1 428.558 2.610 20 0 IFADMN COc1cc(OC)c2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164805816 721590807 /nfs/dbraw/zinc/59/08/07/721590807.db2.gz LYNOCHLYOSHMFH-JTAQYXEDSA-N 0 1 435.528 2.910 20 0 IFADMN CN1CCN(c2cccc(N3CCC4(CCOC[C@H]4COc4cccnc4)CC3)n2)CC1 ZINC001164799310 721604054 /nfs/dbraw/zinc/60/40/54/721604054.db2.gz JOFHHEWKIYNNLF-NRFANRHFSA-N 0 1 437.588 2.931 20 0 IFADMN COC(=O)CSc1cncc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912219 721728329 /nfs/dbraw/zinc/72/83/29/721728329.db2.gz NDPPFXUQAQMHTH-FQEVSTJZSA-N 0 1 449.527 2.874 20 0 IFADMN O=C(NC1CC1)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164911200 721730317 /nfs/dbraw/zinc/73/03/17/721730317.db2.gz IQIMGGFTBBSRQT-NRFANRHFSA-N 0 1 428.487 2.502 20 0 IFADMN COC(=O)C[C@H](c1ccnc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c1)C1CC1 ZINC001165011425 721744483 /nfs/dbraw/zinc/74/44/83/721744483.db2.gz XEKFLLROAFGKFI-FQEVSTJZSA-N 0 1 428.577 2.661 20 0 IFADMN CN(C)C(=O)CN1CCC2(CCCN2c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC001165011436 721746260 /nfs/dbraw/zinc/74/62/60/721746260.db2.gz XGWVPAPULFEMNM-UHFFFAOYSA-N 0 1 448.011 2.884 20 0 IFADMN COc1ccc(OC)c(-c2ccc(N3CCCC34CCN(CC(=O)N(C)C)CC4)nn2)c1 ZINC001165012930 721746745 /nfs/dbraw/zinc/74/67/45/721746745.db2.gz RMBYXMYLYJMACH-UHFFFAOYSA-N 0 1 439.560 2.684 20 0 IFADMN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(S(C)(=O)=O)n3)C[C@H]21 ZINC001165022291 721798547 /nfs/dbraw/zinc/79/85/47/721798547.db2.gz IPLWOSNQQSGWAQ-DJIMGWMZSA-N 0 1 435.981 2.665 20 0 IFADMN Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCN(CCc3ccccn3)CC2)n1 ZINC001165056668 722012676 /nfs/dbraw/zinc/01/26/76/722012676.db2.gz ZVPAEZFZIGELAL-KRWDZBQOSA-N 0 1 427.940 2.939 20 0 IFADMN CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960018 722058292 /nfs/dbraw/zinc/05/82/92/722058292.db2.gz CWAHLIHRXPALMU-UHFFFAOYSA-N 0 1 439.560 2.537 20 0 IFADMN COc1ccc(Cn2cc3[nH]c(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)ccc-3c2=O)cc1 ZINC001164966546 722074922 /nfs/dbraw/zinc/07/49/22/722074922.db2.gz AHPYVSPZKCVMQZ-OYRHEFFESA-N 0 1 434.540 2.546 20 0 IFADMN COC(=O)c1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc21 ZINC001164970957 722108581 /nfs/dbraw/zinc/10/85/81/722108581.db2.gz AYWVTFMZEQUVOK-AVRDEDQJSA-N 0 1 433.512 2.539 20 0 IFADMN CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971862 722116637 /nfs/dbraw/zinc/11/66/37/722116637.db2.gz CWRVKUFVNYBAHE-IFMALSPDSA-N 0 1 447.539 2.929 20 0 IFADMN COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973881 722123575 /nfs/dbraw/zinc/12/35/75/722123575.db2.gz HUHQBWXELMCMPS-KNQAVFIVSA-N 0 1 433.512 2.539 20 0 IFADMN Clc1nc2c(Cl)ncnc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985009 722150364 /nfs/dbraw/zinc/15/03/64/722150364.db2.gz YTSKVBSOVNOLLL-HUUCEWRRSA-N 0 1 446.342 2.849 20 0 IFADMN COC(=O)c1cc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164977859 722153702 /nfs/dbraw/zinc/15/37/02/722153702.db2.gz YXJUXSACJWAZOM-PXNSSMCTSA-N 0 1 430.936 2.952 20 0 IFADMN Cc1nc(CO[C@H]2COC3(C2)CCN(c2cccc(N4CCN(C)CC4)n2)CC3)cs1 ZINC001165005206 722272923 /nfs/dbraw/zinc/27/29/23/722272923.db2.gz FSEONLUROIZOIQ-HXUWFJFHSA-N 0 1 443.617 2.943 20 0 IFADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000003552981 536421155 /nfs/dbraw/zinc/42/11/55/536421155.db2.gz ORGZXFRGHDWUJS-UHFFFAOYSA-N 0 1 426.904 2.717 20 0 IFADMN CN(CCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)Cc1ccc(F)cc1 ZINC000095945791 569375885 /nfs/dbraw/zinc/37/58/85/569375885.db2.gz IBHNXNOHTDSPRL-UHFFFAOYSA-N 0 1 433.487 2.881 20 0 IFADMN COC(=O)[C@H]1CNCCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164630989 719135254 /nfs/dbraw/zinc/13/52/54/719135254.db2.gz LXRORLGKASWVMQ-MRXNPFEDSA-N 0 1 429.590 2.507 20 0 IFADMN COC(=O)[C@@H]1CNCCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164634305 719136584 /nfs/dbraw/zinc/13/65/84/719136584.db2.gz UKYBCMNXUQEZHJ-RDJZCZTQSA-N 0 1 443.617 2.753 20 0 IFADMN CN1CCO[C@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@H]21 ZINC001164670552 719376407 /nfs/dbraw/zinc/37/64/07/719376407.db2.gz VDCYYGGTSHUONM-YADHBBJMSA-N 0 1 445.502 2.547 20 0 IFADMN c1ccc(CN2CCc3nc(N4C[C@H]5OCCN(c6ncccn6)[C@H]5C4)ccc3C2)cc1 ZINC001164694809 719796553 /nfs/dbraw/zinc/79/65/53/719796553.db2.gz HOJRIMQFEUSCEO-XZOQPEGZSA-N 0 1 428.540 2.524 20 0 IFADMN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2ccc3c(n2)CCN(Cc2ccccc2)C3)cn1 ZINC001164710235 720070337 /nfs/dbraw/zinc/07/03/37/720070337.db2.gz DIWUUFXPIJAIMX-GOTSBHOMSA-N 0 1 428.540 2.758 20 0 IFADMN Cc1nc(CN2CCN(C)C3(CCN(c4cc(Cl)nc5[nH]cnc54)CC3)C2=O)cs1 ZINC001164826639 720368500 /nfs/dbraw/zinc/36/85/00/720368500.db2.gz YACHJNKILKOIET-UHFFFAOYSA-N 0 1 445.980 2.689 20 0 IFADMN CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164730168 720448179 /nfs/dbraw/zinc/44/81/79/720448179.db2.gz IDLNSAUPYUKOEI-PMACEKPBSA-N 0 1 429.590 2.797 20 0 IFADMN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728705 720562435 /nfs/dbraw/zinc/56/24/35/720562435.db2.gz LBJQOBOHGXLGDL-UHFFFAOYSA-N 0 1 439.894 2.922 20 0 IFADMN Fc1cccc(Oc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739451 720727528 /nfs/dbraw/zinc/72/75/28/720727528.db2.gz IQZNNGMRNLNHJP-HOCLYGCPSA-N 0 1 443.870 2.588 20 0 IFADMN COc1ccc(Oc2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164749246 720800355 /nfs/dbraw/zinc/80/03/55/720800355.db2.gz SOASXEGYYITPLT-PXNSSMCTSA-N 0 1 434.500 2.718 20 0 IFADMN O=C(N[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164845919 720800560 /nfs/dbraw/zinc/80/05/60/720800560.db2.gz IDEYASDOEZXXLH-JRFVFWCSSA-N 0 1 432.568 2.760 20 0 IFADMN COC(=O)c1cc2c(OC)[nH]c(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)cc-2n1 ZINC001164860746 720959149 /nfs/dbraw/zinc/95/91/49/720959149.db2.gz ROUGCEQDQTYPRF-CQSZACIVSA-N 0 1 426.521 2.976 20 0 IFADMN CCOC(=O)[C@@H]1CCc2nnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)cc2C1 ZINC001164860353 721021640 /nfs/dbraw/zinc/02/16/40/721021640.db2.gz LOZWIKOEWILWSL-DLBZAZTESA-N 0 1 426.565 2.763 20 0 IFADMN Cn1cc(CN2CC[C@H]3CN(c4ncccc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC001164773095 721083951 /nfs/dbraw/zinc/08/39/51/721083951.db2.gz WATBHAFEDVUSIH-VXKWHMMOSA-N 0 1 430.556 2.703 20 0 IFADMN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164769483 721097793 /nfs/dbraw/zinc/09/77/93/721097793.db2.gz ORNISCUMFJDIMQ-GJZGRUSLSA-N 0 1 439.894 2.758 20 0 IFADMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C[C@H]3C2)cn1 ZINC001164768127 721152252 /nfs/dbraw/zinc/15/22/52/721152252.db2.gz NJDBSSYTDQALLB-DLBZAZTESA-N 0 1 430.984 2.955 20 0 IFADMN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164770697 721186333 /nfs/dbraw/zinc/18/63/33/721186333.db2.gz 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2.792 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)CC3)CC1 ZINC001164799151 721517323 /nfs/dbraw/zinc/51/73/23/721517323.db2.gz XLJMWUYKNUFSAU-UHFFFAOYSA-N 0 1 435.910 2.725 20 0 IFADMN CCOC(=O)c1sc2ncnc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c2c1C ZINC001165008364 721730104 /nfs/dbraw/zinc/73/01/04/721730104.db2.gz MVQAMYXHUXCABP-UHFFFAOYSA-N 0 1 445.589 2.699 20 0 IFADMN CN(C)C(=O)CN1CCC2(CCCN2c2ncccc2C(=O)NC2CCCCC2)CC1 ZINC001165008834 721730698 /nfs/dbraw/zinc/73/06/98/721730698.db2.gz RYJHHMLXCXNTQO-UHFFFAOYSA-N 0 1 427.593 2.667 20 0 IFADMN COc1cccc(Oc2cncc(N3CCCC34CCN(CC(=O)N(C)C)CC4)n2)c1 ZINC001165010539 721742556 /nfs/dbraw/zinc/74/25/56/721742556.db2.gz OGBRUESMUJZEHB-UHFFFAOYSA-N 0 1 425.533 2.801 20 0 IFADMN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@@H]21 ZINC001165030161 721830888 /nfs/dbraw/zinc/83/08/88/721830888.db2.gz YBZBCCOGKQPNRX-UWWQBHOKSA-N 0 1 447.992 2.592 20 0 IFADMN COC(=O)Cc1c(Cl)ncnc1N(C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001165022301 721840042 /nfs/dbraw/zinc/84/00/42/721840042.db2.gz QZDLFXFSNZMSDL-UHFFFAOYSA-N 0 1 448.951 2.964 20 0 IFADMN COc1cc2ccnc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c2cc1OC ZINC001164936756 721905881 /nfs/dbraw/zinc/90/58/81/721905881.db2.gz UTIGTEKBTXDKSI-UHFFFAOYSA-N 0 1 437.544 2.857 20 0 IFADMN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC001164936896 721913801 /nfs/dbraw/zinc/91/38/01/721913801.db2.gz AUUXTTDIGYSPEM-HDICACEKSA-N 0 1 425.606 2.987 20 0 IFADMN Cc1ccc(CN2CCOC3(CCN(c4ccnc(-n5ccccc5=O)n4)CC3)C2)cc1 ZINC001164939009 721931962 /nfs/dbraw/zinc/93/19/62/721931962.db2.gz GQLBEBSOAJGMKR-UHFFFAOYSA-N 0 1 431.540 2.807 20 0 IFADMN c1ccc(CCN2CCN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC2)nc1 ZINC001165056591 722014277 /nfs/dbraw/zinc/01/42/77/722014277.db2.gz XKYRJMVDTQXIEL-UHFFFAOYSA-N 0 1 430.560 2.684 20 0 IFADMN CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958876 722052349 /nfs/dbraw/zinc/05/23/49/722052349.db2.gz HHMKCLUPPIJBGE-UHFFFAOYSA-N 0 1 445.951 2.821 20 0 IFADMN CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961950 722053933 /nfs/dbraw/zinc/05/39/33/722053933.db2.gz ZRBDQLGNJNZBLG-UHFFFAOYSA-N 0 1 445.951 2.821 20 0 IFADMN Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962377 722054859 /nfs/dbraw/zinc/05/48/59/722054859.db2.gz DJBTUJBFNBQFFF-UHFFFAOYSA-N 0 1 427.940 2.531 20 0 IFADMN CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963133 722057509 /nfs/dbraw/zinc/05/75/09/722057509.db2.gz HMLBIPNKWQNRNX-UHFFFAOYSA-N 0 1 440.544 2.781 20 0 IFADMN Clc1ncnc2cnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc12 ZINC001164961628 722057694 /nfs/dbraw/zinc/05/76/94/722057694.db2.gz NEFIHHXDSCRCFZ-UHFFFAOYSA-N 0 1 425.924 2.587 20 0 IFADMN Clc1nc2c(c(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)n1)CN(Cc1ccccc1)C2 ZINC001164966829 722070403 /nfs/dbraw/zinc/07/04/03/722070403.db2.gz DYMIXWSPYXRSQD-KDURUIRLSA-N 0 1 425.964 2.945 20 0 IFADMN COC(=O)[C@H]1CNCCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164634301 719136776 /nfs/dbraw/zinc/13/67/76/719136776.db2.gz UKYBCMNXUQEZHJ-NVXWUHKLSA-N 0 1 443.617 2.753 20 0 IFADMN CC(C)CN1CCN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)CC1 ZINC001164657550 719336986 /nfs/dbraw/zinc/33/69/86/719336986.db2.gz RFMWCAAADGRPPS-NRFANRHFSA-N 0 1 438.979 2.795 20 0 IFADMN CN1CCO[C@@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@@H]21 ZINC001164670481 719376616 /nfs/dbraw/zinc/37/66/16/719376616.db2.gz VDCYYGGTSHUONM-FCHUYYIVSA-N 0 1 445.502 2.547 20 0 IFADMN CNC(=O)CN1CCCC12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164689889 719753075 /nfs/dbraw/zinc/75/30/75/719753075.db2.gz NTGLMIKOHARNBO-UHFFFAOYSA-N 0 1 445.898 2.553 20 0 IFADMN c1ccc(CN2CCc3nc(N4C[C@@H]5[C@H](C4)OCCN5c4ncccn4)ccc3C2)cc1 ZINC001164694808 719796831 /nfs/dbraw/zinc/79/68/31/719796831.db2.gz HOJRIMQFEUSCEO-PKTZIBPZSA-N 0 1 428.540 2.524 20 0 IFADMN c1csc(CN2CCOC3(CCN(c4cc(N5CCSCC5)ncn4)CC3)C2)c1 ZINC001164706686 719901767 /nfs/dbraw/zinc/90/17/67/719901767.db2.gz JXPSVILGYGBXHB-UHFFFAOYSA-N 0 1 431.631 2.963 20 0 IFADMN COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])C2 ZINC001164812570 720203938 /nfs/dbraw/zinc/20/39/38/720203938.db2.gz LGLYFAFXXFFIQK-SCLBCKFNSA-N 0 1 430.883 2.558 20 0 IFADMN CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164735350 720448084 /nfs/dbraw/zinc/44/80/84/720448084.db2.gz WMNLUMQCCTXVRL-NHCUHLMSSA-N 0 1 429.590 2.797 20 0 IFADMN CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164730174 720448520 /nfs/dbraw/zinc/44/85/20/720448520.db2.gz IDLNSAUPYUKOEI-WOJBJXKFSA-N 0 1 429.590 2.797 20 0 IFADMN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741451 720672816 /nfs/dbraw/zinc/67/28/16/720672816.db2.gz TXIQNAWGMHJPBA-CABCVRRESA-N 0 1 432.862 2.960 20 0 IFADMN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739697 720681933 /nfs/dbraw/zinc/68/19/33/720681933.db2.gz OYLGJCGKBFSSRI-CABCVRRESA-N 0 1 432.862 2.960 20 0 IFADMN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744383 720722149 /nfs/dbraw/zinc/72/21/49/720722149.db2.gz ZPJCWPKZAHEXSM-CABCVRRESA-N 0 1 431.924 2.822 20 0 IFADMN COc1ccc(Oc2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(C)n2)cc1 ZINC001164749247 720799658 /nfs/dbraw/zinc/79/96/58/720799658.db2.gz SOASXEGYYITPLT-XLIONFOSSA-N 0 1 434.500 2.718 20 0 IFADMN O=C(N[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164845918 720800465 /nfs/dbraw/zinc/80/04/65/720800465.db2.gz IDEYASDOEZXXLH-GMKZXUHWSA-N 0 1 432.568 2.760 20 0 IFADMN COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2c1 ZINC001164767437 721083014 /nfs/dbraw/zinc/08/30/14/721083014.db2.gz LTQVDIGBMNGPJO-DLBZAZTESA-N 0 1 440.935 2.762 20 0 IFADMN COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cnc1Cl ZINC001164773755 721105465 /nfs/dbraw/zinc/10/54/65/721105465.db2.gz YVODZRZKLYVCEU-GJZGRUSLSA-N 0 1 439.894 2.758 20 0 IFADMN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762065 721122026 /nfs/dbraw/zinc/12/20/26/721122026.db2.gz BKTPRQZSEXJLCF-LSDHHAIUSA-N 0 1 439.894 2.758 20 0 IFADMN COc1cc2nc(Cl)c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164765185 721138927 /nfs/dbraw/zinc/13/89/27/721138927.db2.gz JEEAGNAZVNSPNA-HOTGVXAUSA-N 0 1 442.951 2.992 20 0 IFADMN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164771798 721152200 /nfs/dbraw/zinc/15/22/00/721152200.db2.gz UDOJGKMDJUSMSA-GDBMZVCRSA-N 0 1 439.894 2.758 20 0 IFADMN FC(F)(c1nc2[n-]cnc2c(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873511 721219652 /nfs/dbraw/zinc/21/96/52/721219652.db2.gz RNBAFCRJGUOAOU-UHFFFAOYSA-N 0 1 435.866 2.774 20 0 IFADMN COc1ccc2nc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)c(C)cc2c1 ZINC001164872856 721261015 /nfs/dbraw/zinc/26/10/15/721261015.db2.gz GIYAKXICRWCJHE-UHFFFAOYSA-N 0 1 426.561 2.559 20 0 IFADMN c1ccc(CN2CCc3nc(N4C[C@@H]5[C@H](C4)OCCN5c4cnccn4)ccc3C2)cc1 ZINC001164761924 721261149 /nfs/dbraw/zinc/26/11/49/721261149.db2.gz KJQAWKFADSLMMA-PKTZIBPZSA-N 0 1 428.540 2.524 20 0 IFADMN CC(C)c1nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)cc(C(C)(C)C)n1 ZINC001164878689 721289036 /nfs/dbraw/zinc/28/90/36/721289036.db2.gz TURWIFIWAPWCQJ-UHFFFAOYSA-N 0 1 431.625 2.905 20 0 IFADMN CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1 ZINC001164879623 721291230 /nfs/dbraw/zinc/29/12/30/721291230.db2.gz XLDLNJMFOJYQCQ-INIZCTEOSA-N 0 1 438.016 2.959 20 0 IFADMN COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164877977 721294067 /nfs/dbraw/zinc/29/40/67/721294067.db2.gz QJIODWWLYCFZON-UHFFFAOYSA-N 0 1 446.979 2.904 20 0 IFADMN COC(=O)c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1C ZINC001164778330 721346781 /nfs/dbraw/zinc/34/67/81/721346781.db2.gz MVGNEJYLVGKGJN-QHCPKHFHSA-N 0 1 428.533 2.900 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)cc4-c4ccncc4)C3)O2)CC1 ZINC001164894078 721389991 /nfs/dbraw/zinc/38/99/91/721389991.db2.gz XHJUQTROZURUFM-AUSIDOKSSA-N 0 1 442.995 2.957 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164891871 721399071 /nfs/dbraw/zinc/39/90/71/721399071.db2.gz RBXMGWODECLBOE-LPHOPBHVSA-N 0 1 430.927 2.925 20 0 IFADMN COC(=O)c1ccc2c(ccnc2N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1 ZINC001164886592 721404330 /nfs/dbraw/zinc/40/43/30/721404330.db2.gz KGOTZLAHGLSLGF-SQJMNOBHSA-N 0 1 438.572 2.787 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164886246 721414853 /nfs/dbraw/zinc/41/48/53/721414853.db2.gz IJXDUDODPVOBSI-HNAYVOBHSA-N 0 1 429.943 2.628 20 0 IFADMN Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)s1 ZINC001164885793 721416501 /nfs/dbraw/zinc/41/65/01/721416501.db2.gz HJEYTEIDMTYOOB-QRWLVFNGSA-N 0 1 437.013 2.814 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886544 721418910 /nfs/dbraw/zinc/41/89/10/721418910.db2.gz JRCFLDCGWOQAJU-QFBILLFUSA-N 0 1 429.943 2.628 20 0 IFADMN CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164896222 721425514 /nfs/dbraw/zinc/42/55/14/721425514.db2.gz RFVMKPWLQDSTTQ-HTAPYJJXSA-N 0 1 448.015 2.826 20 0 IFADMN CCCN(CCC)c1cncc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164892984 721425569 /nfs/dbraw/zinc/42/55/69/721425569.db2.gz INFLOHMPUDYEQL-ZJSXRUAMSA-N 0 1 430.641 2.868 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164890776 721425934 /nfs/dbraw/zinc/42/59/34/721425934.db2.gz FOERLMTXVHKEFQ-DHLKQENFSA-N 0 1 437.588 2.821 20 0 IFADMN CCOC(=O)c1nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1Cl ZINC001164892380 721427680 /nfs/dbraw/zinc/42/76/80/721427680.db2.gz IJVPAEIKLJAERK-VGSWGCGISA-N 0 1 436.984 2.677 20 0 IFADMN COc1cccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nn2)c1 ZINC001164891515 721435892 /nfs/dbraw/zinc/43/58/92/721435892.db2.gz GWBYPTPHZXWLBG-DHLKQENFSA-N 0 1 437.588 2.918 20 0 IFADMN COC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164894393 721438080 /nfs/dbraw/zinc/43/80/80/721438080.db2.gz LXGJWWQGGBCJJH-CJFMBICVSA-N 0 1 438.572 2.787 20 0 IFADMN Cc1nc(-c2ccncc2)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1C ZINC001164892999 721442074 /nfs/dbraw/zinc/44/20/74/721442074.db2.gz INMMGWWDOHSGTN-DHLKQENFSA-N 0 1 436.604 2.921 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)C3)O2)CC1 ZINC001164894948 721442910 /nfs/dbraw/zinc/44/29/10/721442910.db2.gz NSSIZGQFGCXJKJ-HFZDXXHNSA-N 0 1 448.615 2.793 20 0 IFADMN Cc1nc(C)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)s1 ZINC001164899445 721444228 /nfs/dbraw/zinc/44/42/28/721444228.db2.gz YLUZAETUGXIRHL-AUSIDOKSSA-N 0 1 442.633 2.982 20 0 IFADMN CCCSc1ncnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1OC ZINC001164892717 721450995 /nfs/dbraw/zinc/45/09/95/721450995.db2.gz XMDABGZHCKVMMC-AVRDEDQJSA-N 0 1 435.638 2.753 20 0 IFADMN COc1cc(C)c2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164892049 721454100 /nfs/dbraw/zinc/45/41/00/721454100.db2.gz WBRZVUBIPZOUAE-DVECYGJZSA-N 0 1 425.577 2.712 20 0 IFADMN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)O1 ZINC001164891360 721455438 /nfs/dbraw/zinc/45/54/38/721455438.db2.gz UMHNVLHPGQQGDU-VXNXHJTFSA-N 0 1 432.568 2.902 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)cnc2Cl)CC3)CC1 ZINC001164795802 721509606 /nfs/dbraw/zinc/50/96/06/721509606.db2.gz NJHFUMMRLQQHEG-UHFFFAOYSA-N 0 1 431.318 2.897 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2nc4ccc(Cl)cc4nc2Cl)CC3)CC1 ZINC001164794170 721511680 /nfs/dbraw/zinc/51/16/80/721511680.db2.gz IQVQBCKDVKOAGK-UHFFFAOYSA-N 0 1 432.359 2.901 20 0 IFADMN NC(=O)c1ccc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897942 721512610 /nfs/dbraw/zinc/51/26/10/721512610.db2.gz GYUIPIKVBGFLNS-DZGCQCFKSA-N 0 1 440.853 2.860 20 0 IFADMN NC(=O)c1ccc(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897951 721512656 /nfs/dbraw/zinc/51/26/56/721512656.db2.gz GYUIPIKVBGFLNS-ZFWWWQNUSA-N 0 1 440.853 2.860 20 0 IFADMN C[C@@H]1CCc2c(sc3ncnc(N4CCn5cc(CN6CCN(C)CC6)nc5C4)c23)C1 ZINC001164794910 721512943 /nfs/dbraw/zinc/51/29/43/721512943.db2.gz YHORREXKADIXAK-MRXNPFEDSA-N 0 1 437.617 2.780 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2ncnc4cc(Cl)c(Cl)cc42)CC3)CC1 ZINC001164798319 721516946 /nfs/dbraw/zinc/51/69/46/721516946.db2.gz RXTZIGCCTKOTSO-UHFFFAOYSA-N 0 1 432.359 2.901 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccn4)nc4ccccc42)CC3)CC1 ZINC001164797793 721518534 /nfs/dbraw/zinc/51/85/34/721518534.db2.gz NJHZIDLFCWQBBK-UHFFFAOYSA-N 0 1 440.555 2.656 20 0 IFADMN CN1CCN(Cc2cn3c(n2)CN(c2ncnc4c(-c5ccccc5)nsc42)CC3)CC1 ZINC001164796872 721519653 /nfs/dbraw/zinc/51/96/53/721519653.db2.gz FWGFMDAXPUQLOH-UHFFFAOYSA-N 0 1 446.584 2.717 20 0 IFADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CCN3C2)c1 ZINC001164904315 721555385 /nfs/dbraw/zinc/55/53/85/721555385.db2.gz DWIOGUUXVKSLLR-OCCSQVGLSA-N 0 1 438.841 2.984 20 0 IFADMN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904689 721568225 /nfs/dbraw/zinc/56/82/25/721568225.db2.gz FIGNIUZRMYEXJJ-JSGCOSHPSA-N 0 1 442.825 2.854 20 0 IFADMN CCOC(=O)Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164906249 721709194 /nfs/dbraw/zinc/70/91/94/721709194.db2.gz LQXQYYTZYDFMHL-NRFANRHFSA-N 0 1 431.487 2.715 20 0 IFADMN CON(C)C(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164909150 721730778 /nfs/dbraw/zinc/73/07/78/721730778.db2.gz CNYGJPUTAGMVNB-OAQYLSRUSA-N 0 1 431.487 2.848 20 0 IFADMN COC(=O)c1cc2c(N3CCCC34CCN(CC(=O)N(C)C)CC4)[nH]c(Cl)cc-2n1 ZINC001165010870 721742448 /nfs/dbraw/zinc/74/24/48/721742448.db2.gz PWKIHGVLDOJYAO-UHFFFAOYSA-N 0 1 433.940 2.526 20 0 IFADMN COC(=O)c1cnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)cc1OC ZINC001165021573 721838379 /nfs/dbraw/zinc/83/83/79/721838379.db2.gz OUBJOYPDIDHQQF-UHFFFAOYSA-N 0 1 429.517 2.995 20 0 IFADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc(CO)c2C(OC)OC)CC1 ZINC001165022580 721842591 /nfs/dbraw/zinc/84/25/91/721842591.db2.gz POAPQGZLGMOMCZ-UHFFFAOYSA-N 0 1 445.560 2.983 20 0 IFADMN CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164948217 721983070 /nfs/dbraw/zinc/98/30/70/721983070.db2.gz JYBGOXSNDYDRMY-UNMCSNQZSA-N 0 1 426.586 2.500 20 0 IFADMN COC(=O)c1ccc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ncc2c1 ZINC001164958742 722053713 /nfs/dbraw/zinc/05/37/13/722053713.db2.gz FZHWPWXWJPXIMJ-UHFFFAOYSA-N 0 1 447.539 2.930 20 0 IFADMN O=C(c1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1)N1CCCC1 ZINC001164960669 722058333 /nfs/dbraw/zinc/05/83/33/722058333.db2.gz GPTVZVZMVXRIGY-UHFFFAOYSA-N 0 1 435.572 2.832 20 0 IFADMN COC(=O)c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164975519 722104701 /nfs/dbraw/zinc/10/47/01/722104701.db2.gz CDJOQRMFBNHJJS-SIKLNZKXSA-N 0 1 433.512 2.539 20 0 IFADMN COC(=O)c1cc2ccncc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973885 722123695 /nfs/dbraw/zinc/12/36/95/722123695.db2.gz HUHQBWXELMCMPS-UGKGYDQZSA-N 0 1 433.512 2.539 20 0 IFADMN COc1nc(-c2ccccc2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973275 722127277 /nfs/dbraw/zinc/12/72/77/722127277.db2.gz GYCSMKALNWDOLA-NHCUHLMSSA-N 0 1 432.528 2.670 20 0 IFADMN COC(=O)[C@H]1CNCCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164634296 719136470 /nfs/dbraw/zinc/13/64/70/719136470.db2.gz UKYBCMNXUQEZHJ-DOTOQJQBSA-N 0 1 443.617 2.753 20 0 IFADMN CN1CCO[C@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@@H]21 ZINC001164670551 719376337 /nfs/dbraw/zinc/37/63/37/719376337.db2.gz VDCYYGGTSHUONM-VXKWHMMOSA-N 0 1 445.502 2.547 20 0 IFADMN COC(=O)c1sc2nc(Cc3ccccc3)nc(N3C[C@@H]4[C@H](C3)OCCN4C)c2c1C ZINC001164670196 719445466 /nfs/dbraw/zinc/44/54/66/719445466.db2.gz NSEMUBYFXGWMDS-SJORKVTESA-N 0 1 438.553 2.896 20 0 IFADMN Cc1nc(CN2CCCC23CCN(c2ccc(C(=O)N4CCOCC4)cn2)CC3)cs1 ZINC001164692282 719804097 /nfs/dbraw/zinc/80/40/97/719804097.db2.gz MIOAFTGAKGLYHD-UHFFFAOYSA-N 0 1 441.601 2.954 20 0 IFADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC3)cs1 ZINC001164692650 719814926 /nfs/dbraw/zinc/81/49/26/719814926.db2.gz QSDZEOBQIRBFTG-UHFFFAOYSA-N 0 1 442.010 2.782 20 0 IFADMN CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164699319 719896115 /nfs/dbraw/zinc/89/61/15/719896115.db2.gz ZQQTYMVBOJRSQX-UHFFFAOYSA-N 0 1 430.574 2.956 20 0 IFADMN COCCOC(=O)c1ccnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164706814 719903569 /nfs/dbraw/zinc/90/35/69/719903569.db2.gz KPKLRTXDECOSRF-UHFFFAOYSA-N 0 1 431.558 2.818 20 0 IFADMN CC(=O)N(C)Cc1nnc2n1CCCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164829724 720413533 /nfs/dbraw/zinc/41/35/33/720413533.db2.gz OEAZHUMJGWJQSB-UHFFFAOYSA-N 0 1 445.571 2.620 20 0 IFADMN O=S(=O)(c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1)N1CCCCC1 ZINC001164727149 720437834 /nfs/dbraw/zinc/43/78/34/720437834.db2.gz DDUARMXPIIMQMK-NHCUHLMSSA-N 0 1 427.574 2.504 20 0 IFADMN O=S(=O)(c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1)N1CCCCC1 ZINC001164727158 720438312 /nfs/dbraw/zinc/43/83/12/720438312.db2.gz DDUARMXPIIMQMK-SFTDATJTSA-N 0 1 427.574 2.504 20 0 IFADMN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164733451 720445513 /nfs/dbraw/zinc/44/55/13/720445513.db2.gz PPLUSVYKTOEOIS-DZFGPLHGSA-N 0 1 429.590 2.797 20 0 IFADMN CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164735349 720448147 /nfs/dbraw/zinc/44/81/47/720448147.db2.gz WMNLUMQCCTXVRL-LEWJYISDSA-N 0 1 429.590 2.797 20 0 IFADMN FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736818 720585034 /nfs/dbraw/zinc/58/50/34/720585034.db2.gz UVMVKAFJCNEJDR-IBGZPJMESA-N 0 1 444.889 2.790 20 0 IFADMN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741116 720744921 /nfs/dbraw/zinc/74/49/21/720744921.db2.gz MFGPQXBZFUTMSM-RYUDHWBXSA-N 0 1 431.274 2.546 20 0 IFADMN COc1ccc(Oc2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164749244 720799042 /nfs/dbraw/zinc/79/90/42/720799042.db2.gz SOASXEGYYITPLT-FXAWDEMLSA-N 0 1 434.500 2.718 20 0 IFADMN O=C(N[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164846102 720800451 /nfs/dbraw/zinc/80/04/51/720800451.db2.gz IDEYASDOEZXXLH-QPTUXGOLSA-N 0 1 432.568 2.760 20 0 IFADMN Clc1cccc(COc2cncc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164742384 720801322 /nfs/dbraw/zinc/80/13/22/720801322.db2.gz CYDJZMVYNPYKIK-RBUKOAKNSA-N 0 1 438.919 2.841 20 0 IFADMN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)O1)N1CCCO1 ZINC001164848820 720818955 /nfs/dbraw/zinc/81/89/55/720818955.db2.gz NIFKANVLWQGPRD-SMIHKQSGSA-N 0 1 448.567 2.930 20 0 IFADMN CCOC(=O)c1nc2ccn(C)c2c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164860586 720989319 /nfs/dbraw/zinc/98/93/19/720989319.db2.gz OXDJYPDZLFGDHG-HNNXBMFYSA-N 0 1 425.537 2.763 20 0 IFADMN CCOC(=O)c1nc2ccn(C)c2c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164860589 720991489 /nfs/dbraw/zinc/99/14/89/720991489.db2.gz OXDJYPDZLFGDHG-OAHLLOKOSA-N 0 1 425.537 2.763 20 0 IFADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)[C@H]2C ZINC001164861478 720993657 /nfs/dbraw/zinc/99/36/57/720993657.db2.gz PXEMNXJVIHGTNF-LBPRGKRZSA-N 0 1 426.899 2.997 20 0 IFADMN CCN(CC)S(=O)(=O)c1ccc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc1 ZINC001164858113 721001862 /nfs/dbraw/zinc/00/18/62/721001862.db2.gz HACSMDJQFZMJOL-QGZVFWFLSA-N 0 1 434.610 2.730 20 0 IFADMN CCOC(=O)[C@@H]1CCc2nnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)cc2C1 ZINC001164860354 721021574 /nfs/dbraw/zinc/02/15/74/721021574.db2.gz LOZWIKOEWILWSL-IAGOWNOFSA-N 0 1 426.565 2.763 20 0 IFADMN Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2ccc3c(n2)CCN(Cc2ccccc2)C3)cn1 ZINC001164762320 721035243 /nfs/dbraw/zinc/03/52/43/721035243.db2.gz HSZMPIGQLUEARM-DNQXCXABSA-N 0 1 442.567 2.867 20 0 IFADMN CN(C)c1cc(Cl)nc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868891 721059430 /nfs/dbraw/zinc/05/94/30/721059430.db2.gz QXZOAOSXUWISHA-JKSUJKDBSA-N 0 1 438.910 2.616 20 0 IFADMN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001164764184 721123084 /nfs/dbraw/zinc/12/30/84/721123084.db2.gz HHQKPBBKOVOAKC-CABCVRRESA-N 0 1 439.894 2.758 20 0 IFADMN CCOC(Cc1c(Cl)ncnc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1)OCC ZINC001164765635 721134373 /nfs/dbraw/zinc/13/43/73/721134373.db2.gz JUBVMCADSOQTPZ-QZTJIDSGSA-N 0 1 448.999 2.763 20 0 IFADMN CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762777 721148800 /nfs/dbraw/zinc/14/88/00/721148800.db2.gz DOUFTELZKDTXOQ-UONOGXRCSA-N 0 1 439.347 2.652 20 0 IFADMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C[C@@H]3C2)cn1 ZINC001164768132 721151009 /nfs/dbraw/zinc/15/10/09/721151009.db2.gz NJDBSSYTDQALLB-IRXDYDNUSA-N 0 1 430.984 2.955 20 0 IFADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164767807 721181513 /nfs/dbraw/zinc/18/15/13/721181513.db2.gz KPSWLRSICKZFDP-GJZGRUSLSA-N 0 1 433.894 2.915 20 0 IFADMN CN1CCN(c2cccc(N3CC[C@@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164877413 721257634 /nfs/dbraw/zinc/25/76/34/721257634.db2.gz RJBCJZJVHHTFRR-BKMJKUGQSA-N 0 1 449.599 2.781 20 0 IFADMN Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)nc12 ZINC001164875646 721279473 /nfs/dbraw/zinc/27/94/73/721279473.db2.gz YJYWUSCDCVRZFN-UHFFFAOYSA-N 0 1 428.552 2.998 20 0 IFADMN Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164875452 721279679 /nfs/dbraw/zinc/27/96/79/721279679.db2.gz WFQXFJSDODDTIF-UHFFFAOYSA-N 0 1 430.927 2.595 20 0 IFADMN CN(C)C(=O)CN1CCOCC2(CCN(c3cccc(OCc4ccccc4)n3)CC2)C1 ZINC001164875472 721280036 /nfs/dbraw/zinc/28/00/36/721280036.db2.gz WIZXTTNYYXUQJU-UHFFFAOYSA-N 0 1 438.572 2.668 20 0 IFADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C2)C1 ZINC001164776442 721352355 /nfs/dbraw/zinc/35/23/55/721352355.db2.gz BKEFABOHBGCXLX-QFIPXVFZSA-N 0 1 445.951 2.953 20 0 IFADMN COc1cnc2c(c1)ncnc2N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164782921 721362967 /nfs/dbraw/zinc/36/29/67/721362967.db2.gz NIENCCZJAPBZHJ-HSZRJFAPSA-N 0 1 438.532 2.757 20 0 IFADMN CCCNC(=O)c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164781600 721367553 /nfs/dbraw/zinc/36/75/53/721367553.db2.gz KATWJHUYTMTGMT-XMMPIXPASA-N 0 1 441.576 2.945 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nnc(Cl)cc4-c4ccncc4)C3)O2)CC1 ZINC001164894081 721389746 /nfs/dbraw/zinc/38/97/46/721389746.db2.gz XHJUQTROZURUFM-XXBNENTESA-N 0 1 442.995 2.957 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)C3)O2)CC1 ZINC001164892180 721392695 /nfs/dbraw/zinc/39/26/95/721392695.db2.gz SANBXFVMUMYGTP-FDDCHVKYSA-N 0 1 446.596 2.589 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164887405 721399760 /nfs/dbraw/zinc/39/97/60/721399760.db2.gz HZQLNQCNKFPMEN-HKUYNNGSSA-N 0 1 430.927 2.925 20 0 IFADMN Cc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164884059 721401499 /nfs/dbraw/zinc/40/14/99/721401499.db2.gz DAGBCIQEDHDGIV-APWZRJJASA-N 0 1 429.943 2.749 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)COc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164887774 721408698 /nfs/dbraw/zinc/40/86/98/721408698.db2.gz NKLFTNMLCVGWDC-QUCCMNQESA-N 0 1 444.954 2.968 20 0 IFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886540 721418838 /nfs/dbraw/zinc/41/88/38/721418838.db2.gz JRCFLDCGWOQAJU-APWZRJJASA-N 0 1 429.943 2.628 20 0 IFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886541 721419060 /nfs/dbraw/zinc/41/90/60/721419060.db2.gz JRCFLDCGWOQAJU-LPHOPBHVSA-N 0 1 429.943 2.628 20 0 IFADMN CCc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)[nH]1 ZINC001164895852 721429199 /nfs/dbraw/zinc/42/91/99/721429199.db2.gz QHUWAYPOBOWMQB-HTAPYJJXSA-N 0 1 433.000 2.939 20 0 IFADMN CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)[nH]1 ZINC001164895853 721429531 /nfs/dbraw/zinc/42/95/31/721429531.db2.gz QHUWAYPOBOWMQB-JTSKRJEESA-N 0 1 433.000 2.939 20 0 IFADMN 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